USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 637 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 41 SER OG : rot -50:sc= 0.476 USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= -0.412 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -6.57! C(o=-7.1!,f=-12!) USER MOD Set 2.2: A 16 SER OG : rot -170:sc= -0.491 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00667) USER MOD Single : A 33 GLN : amide:sc= -0.0899 X(o=-0.09,f=0) USER MOD Single : A 38 SER OG : rot 35:sc= 0.0256 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.769 X(o=-0.77,f=-0.37) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0914 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc=-0.00389 X(o=-0.0039,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 82 THR OG1 : rot 110:sc= -0.999 USER MOD Single : A 87 LYS NZ :NH3+ 148:sc= -0.0709 (180deg=-1.18) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 ASN :FLIP amide:sc= -2.37! C(o=-4.5!,f=-2.4!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 150 N HIS A 14 -5.519 -18.139 3.292 1.00 0.00 N ATOM 151 CA HIS A 14 -4.098 -18.164 2.990 1.00 0.00 C ATOM 152 C HIS A 14 -3.342 -17.303 4.005 1.00 0.00 C ATOM 153 O HIS A 14 -3.820 -16.241 4.401 1.00 0.00 O ATOM 154 CB HIS A 14 -3.842 -17.737 1.543 1.00 0.00 C ATOM 155 CG HIS A 14 -2.554 -18.271 0.964 1.00 0.00 C ATOM 156 ND1 HIS A 14 -1.345 -17.609 1.087 1.00 0.00 N ATOM 157 CD2 HIS A 14 -2.300 -19.410 0.257 1.00 0.00 C ATOM 158 CE1 HIS A 14 -0.412 -18.326 0.478 1.00 0.00 C ATOM 159 NE2 HIS A 14 -1.006 -19.441 -0.036 1.00 0.00 N ATOM 0 HA HIS A 14 -3.722 -19.183 3.079 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.674 -18.073 0.923 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.827 -16.648 1.494 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.028 -20.159 -0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 14 0.635 -18.072 0.402 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -0.533 -20.178 -0.560 1.00 0.00 H new ATOM 167 N PRO A 15 -2.144 -17.806 4.406 1.00 0.00 N ATOM 168 CA PRO A 15 -1.318 -17.095 5.367 1.00 0.00 C ATOM 169 C PRO A 15 -0.633 -15.891 4.716 1.00 0.00 C ATOM 170 O PRO A 15 -0.094 -15.030 5.409 1.00 0.00 O ATOM 171 CB PRO A 15 -0.333 -18.132 5.882 1.00 0.00 C ATOM 172 CG PRO A 15 -0.339 -19.257 4.859 1.00 0.00 C ATOM 173 CD PRO A 15 -1.547 -19.061 3.958 1.00 0.00 C ATOM 0 HA PRO A 15 -1.897 -16.672 6.188 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.664 -17.705 5.987 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.629 -18.497 6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 15 0.580 -19.245 4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.387 -20.225 5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.254 -19.008 2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.249 -19.889 4.052 1.00 0.00 H new ATOM 181 N SER A 16 -0.677 -15.871 3.392 1.00 0.00 N ATOM 182 CA SER A 16 -0.068 -14.787 2.640 1.00 0.00 C ATOM 183 C SER A 16 -1.111 -13.710 2.336 1.00 0.00 C ATOM 184 O SER A 16 -0.765 -12.550 2.113 1.00 0.00 O ATOM 185 CB SER A 16 0.558 -15.301 1.342 1.00 0.00 C ATOM 186 OG SER A 16 1.470 -16.370 1.576 1.00 0.00 O ATOM 0 H SER A 16 -1.125 -16.588 2.821 1.00 0.00 H new ATOM 0 HA SER A 16 0.726 -14.353 3.248 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.230 -15.638 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.078 -14.484 0.842 1.00 0.00 H new ATOM 0 HG SER A 16 1.964 -16.565 0.752 1.00 0.00 H new ATOM 192 N ILE A 17 -2.367 -14.131 2.336 1.00 0.00 N ATOM 193 CA ILE A 17 -3.463 -13.217 2.063 1.00 0.00 C ATOM 194 C ILE A 17 -3.866 -12.509 3.359 1.00 0.00 C ATOM 195 O ILE A 17 -4.157 -11.313 3.352 1.00 0.00 O ATOM 196 CB ILE A 17 -4.618 -13.953 1.381 1.00 0.00 C ATOM 197 CG1 ILE A 17 -4.214 -14.430 -0.016 1.00 0.00 C ATOM 198 CG2 ILE A 17 -5.878 -13.086 1.349 1.00 0.00 C ATOM 199 CD1 ILE A 17 -4.330 -13.297 -1.037 1.00 0.00 C ATOM 0 H ILE A 17 -2.650 -15.093 2.521 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.148 -12.445 1.361 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.853 -14.840 1.969 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.190 -14.802 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.849 -15.263 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.684 -13.633 0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.175 -12.838 2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.674 -12.168 0.797 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.037 -13.663 -2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.361 -12.944 -1.073 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.675 -12.476 -0.745 1.00 0.00 H new ATOM 211 N SER A 18 -3.870 -13.276 4.438 1.00 0.00 N ATOM 212 CA SER A 18 -4.231 -12.737 5.738 1.00 0.00 C ATOM 213 C SER A 18 -3.282 -11.598 6.116 1.00 0.00 C ATOM 214 O SER A 18 -3.636 -10.727 6.909 1.00 0.00 O ATOM 215 CB SER A 18 -4.207 -13.826 6.813 1.00 0.00 C ATOM 216 OG SER A 18 -4.444 -13.298 8.114 1.00 0.00 O ATOM 0 H SER A 18 -3.629 -14.267 4.439 1.00 0.00 H new ATOM 0 HA SER A 18 -5.247 -12.348 5.675 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.962 -14.578 6.584 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.241 -14.330 6.797 1.00 0.00 H new ATOM 0 HG SER A 18 -4.422 -14.025 8.771 1.00 0.00 H new ATOM 222 N ARG A 19 -2.095 -11.642 5.529 1.00 0.00 N ATOM 223 CA ARG A 19 -1.092 -10.624 5.794 1.00 0.00 C ATOM 224 C ARG A 19 -1.414 -9.346 5.017 1.00 0.00 C ATOM 225 O ARG A 19 -1.424 -8.256 5.585 1.00 0.00 O ATOM 226 CB ARG A 19 0.305 -11.112 5.402 1.00 0.00 C ATOM 227 CG ARG A 19 1.312 -9.961 5.419 1.00 0.00 C ATOM 228 CD ARG A 19 1.463 -9.385 6.828 1.00 0.00 C ATOM 229 NE ARG A 19 2.544 -10.092 7.551 1.00 0.00 N ATOM 230 CZ ARG A 19 2.360 -11.201 8.280 1.00 0.00 C ATOM 231 NH1 ARG A 19 1.136 -11.737 8.386 1.00 0.00 N ATOM 232 NH2 ARG A 19 3.399 -11.775 8.901 1.00 0.00 N ATOM 0 H ARG A 19 -1.805 -12.366 4.871 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.106 -10.416 6.864 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.628 -11.893 6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.273 -11.557 4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.279 -10.314 5.061 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.986 -9.178 4.735 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.688 -8.320 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.524 -9.484 7.373 1.00 0.00 H new ATOM 0 HE ARG A 19 3.488 -9.711 7.490 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.345 -11.301 7.912 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.995 -12.581 8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.331 -11.368 8.819 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.258 -12.619 9.456 1.00 0.00 H new ATOM 246 N LEU A 20 -1.669 -9.523 3.729 1.00 0.00 N ATOM 247 CA LEU A 20 -1.991 -8.398 2.868 1.00 0.00 C ATOM 248 C LEU A 20 -3.187 -7.642 3.450 1.00 0.00 C ATOM 249 O LEU A 20 -3.215 -6.412 3.435 1.00 0.00 O ATOM 250 CB LEU A 20 -2.203 -8.869 1.427 1.00 0.00 C ATOM 251 CG LEU A 20 -0.990 -8.759 0.501 1.00 0.00 C ATOM 252 CD1 LEU A 20 -1.219 -9.540 -0.795 1.00 0.00 C ATOM 253 CD2 LEU A 20 -0.635 -7.295 0.233 1.00 0.00 C ATOM 0 H LEU A 20 -1.659 -10.429 3.261 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.158 -7.697 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.525 -9.910 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.020 -8.292 0.993 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.134 -9.210 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.343 -9.446 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.387 -10.591 -0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.091 -9.140 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.230 -7.246 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.481 -6.796 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.401 -6.799 1.175 1.00 0.00 H new ATOM 265 N GLN A 21 -4.145 -8.408 3.949 1.00 0.00 N ATOM 266 CA GLN A 21 -5.340 -7.826 4.535 1.00 0.00 C ATOM 267 C GLN A 21 -4.965 -6.893 5.688 1.00 0.00 C ATOM 268 O GLN A 21 -5.687 -5.941 5.981 1.00 0.00 O ATOM 269 CB GLN A 21 -6.308 -8.915 5.003 1.00 0.00 C ATOM 270 CG GLN A 21 -7.328 -9.248 3.913 1.00 0.00 C ATOM 271 CD GLN A 21 -8.544 -9.966 4.501 1.00 0.00 C ATOM 272 OE1 GLN A 21 -9.363 -9.387 5.196 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.616 -11.255 4.184 1.00 0.00 N ATOM 0 H GLN A 21 -4.118 -9.428 3.960 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.848 -7.240 3.769 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.750 -9.812 5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -6.827 -8.583 5.902 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.647 -8.332 3.417 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.862 -9.876 3.154 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.896 -11.677 3.598 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.391 -11.822 4.527 1.00 0.00 H new ATOM 282 N GLU A 22 -3.837 -7.199 6.312 1.00 0.00 N ATOM 283 CA GLU A 22 -3.358 -6.400 7.427 1.00 0.00 C ATOM 284 C GLU A 22 -2.535 -5.215 6.916 1.00 0.00 C ATOM 285 O GLU A 22 -2.373 -4.218 7.618 1.00 0.00 O ATOM 286 CB GLU A 22 -2.544 -7.252 8.403 1.00 0.00 C ATOM 287 CG GLU A 22 -3.252 -7.364 9.755 1.00 0.00 C ATOM 288 CD GLU A 22 -2.241 -7.521 10.892 1.00 0.00 C ATOM 289 OE1 GLU A 22 -1.465 -8.499 10.831 1.00 0.00 O ATOM 290 OE2 GLU A 22 -2.267 -6.659 11.797 1.00 0.00 O ATOM 0 H GLU A 22 -3.241 -7.989 6.067 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.221 -6.012 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.393 -8.247 7.984 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.557 -6.811 8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.861 -6.476 9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.929 -8.218 9.745 1.00 0.00 H new ATOM 297 N ILE A 23 -2.038 -5.364 5.697 1.00 0.00 N ATOM 298 CA ILE A 23 -1.236 -4.319 5.084 1.00 0.00 C ATOM 299 C ILE A 23 -2.157 -3.332 4.363 1.00 0.00 C ATOM 300 O ILE A 23 -1.909 -2.127 4.371 1.00 0.00 O ATOM 301 CB ILE A 23 -0.161 -4.928 4.181 1.00 0.00 C ATOM 302 CG1 ILE A 23 0.972 -5.535 5.010 1.00 0.00 C ATOM 303 CG2 ILE A 23 0.354 -3.900 3.171 1.00 0.00 C ATOM 304 CD1 ILE A 23 1.544 -6.780 4.329 1.00 0.00 C ATOM 0 H ILE A 23 -2.175 -6.192 5.118 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.698 -3.756 5.846 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.613 -5.740 3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.762 -4.797 5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.602 -5.796 6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.117 -4.359 2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.472 -3.557 2.548 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.784 -3.051 3.703 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.348 -7.192 4.939 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.757 -7.526 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.935 -6.511 3.348 1.00 0.00 H new ATOM 316 N GLN A 24 -3.200 -3.879 3.758 1.00 0.00 N ATOM 317 CA GLN A 24 -4.159 -3.062 3.034 1.00 0.00 C ATOM 318 C GLN A 24 -4.880 -2.113 3.995 1.00 0.00 C ATOM 319 O GLN A 24 -4.879 -0.900 3.792 1.00 0.00 O ATOM 320 CB GLN A 24 -5.159 -3.934 2.273 1.00 0.00 C ATOM 321 CG GLN A 24 -4.509 -4.562 1.038 1.00 0.00 C ATOM 322 CD GLN A 24 -5.540 -4.784 -0.071 1.00 0.00 C ATOM 323 OE1 GLN A 24 -5.818 -3.913 -0.878 1.00 0.00 O ATOM 324 NE2 GLN A 24 -6.089 -5.995 -0.065 1.00 0.00 N ATOM 0 H GLN A 24 -3.403 -4.879 3.754 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.617 -2.464 2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.536 -4.719 2.929 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -6.016 -3.332 1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.711 -3.915 0.674 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.050 -5.513 1.308 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -5.811 -6.678 0.640 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.789 -6.241 -0.765 1.00 0.00 H new ATOM 333 N ARG A 25 -5.477 -2.702 5.020 1.00 0.00 N ATOM 334 CA ARG A 25 -6.200 -1.925 6.013 1.00 0.00 C ATOM 335 C ARG A 25 -5.315 -0.799 6.552 1.00 0.00 C ATOM 336 O ARG A 25 -5.819 0.208 7.046 1.00 0.00 O ATOM 337 CB ARG A 25 -6.657 -2.806 7.177 1.00 0.00 C ATOM 338 CG ARG A 25 -5.460 -3.321 7.978 1.00 0.00 C ATOM 339 CD ARG A 25 -5.920 -4.112 9.205 1.00 0.00 C ATOM 340 NE ARG A 25 -5.971 -3.224 10.388 1.00 0.00 N ATOM 341 CZ ARG A 25 -6.357 -3.621 11.608 1.00 0.00 C ATOM 342 NH1 ARG A 25 -6.729 -4.892 11.813 1.00 0.00 N ATOM 343 NH2 ARG A 25 -6.372 -2.747 12.624 1.00 0.00 N ATOM 0 H ARG A 25 -5.475 -3.709 5.185 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.079 -1.501 5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.319 -2.237 7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.233 -3.649 6.795 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.839 -3.955 7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.841 -2.481 8.293 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.904 -4.544 9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.237 -4.941 9.391 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.695 -2.249 10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.718 -5.558 11.040 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.023 -5.194 12.742 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.090 -1.779 12.468 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.666 -3.050 13.553 1.00 0.00 H new ATOM 357 N GLU A 26 -4.012 -1.007 6.438 1.00 0.00 N ATOM 358 CA GLU A 26 -3.053 -0.022 6.908 1.00 0.00 C ATOM 359 C GLU A 26 -2.925 1.119 5.897 1.00 0.00 C ATOM 360 O GLU A 26 -3.318 2.250 6.179 1.00 0.00 O ATOM 361 CB GLU A 26 -1.693 -0.668 7.181 1.00 0.00 C ATOM 362 CG GLU A 26 -1.730 -1.506 8.460 1.00 0.00 C ATOM 363 CD GLU A 26 -1.065 -0.765 9.621 1.00 0.00 C ATOM 364 OE1 GLU A 26 0.171 -0.904 9.750 1.00 0.00 O ATOM 365 OE2 GLU A 26 -1.807 -0.076 10.354 1.00 0.00 O ATOM 0 H GLU A 26 -3.598 -1.843 6.027 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.417 0.391 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.410 -1.298 6.338 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.931 0.106 7.271 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.764 -1.738 8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.222 -2.456 8.292 1.00 0.00 H new ATOM 372 N VAL A 27 -2.374 0.782 4.740 1.00 0.00 N ATOM 373 CA VAL A 27 -2.190 1.765 3.685 1.00 0.00 C ATOM 374 C VAL A 27 -3.527 2.448 3.391 1.00 0.00 C ATOM 375 O VAL A 27 -3.559 3.611 2.993 1.00 0.00 O ATOM 376 CB VAL A 27 -1.574 1.099 2.452 1.00 0.00 C ATOM 377 CG1 VAL A 27 -0.324 0.301 2.826 1.00 0.00 C ATOM 378 CG2 VAL A 27 -2.598 0.214 1.739 1.00 0.00 C ATOM 0 H VAL A 27 -2.049 -0.157 4.510 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.493 2.540 4.002 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.273 1.886 1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.093 -0.162 1.932 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.415 0.969 3.268 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.589 -0.474 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.135 -0.247 0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.944 -0.563 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.445 0.821 1.421 1.00 0.00 H new ATOM 388 N LYS A 28 -4.598 1.696 3.599 1.00 0.00 N ATOM 389 CA LYS A 28 -5.934 2.215 3.361 1.00 0.00 C ATOM 390 C LYS A 28 -6.338 3.123 4.524 1.00 0.00 C ATOM 391 O LYS A 28 -6.936 4.177 4.314 1.00 0.00 O ATOM 392 CB LYS A 28 -6.916 1.069 3.106 1.00 0.00 C ATOM 393 CG LYS A 28 -8.226 1.592 2.513 1.00 0.00 C ATOM 394 CD LYS A 28 -8.101 1.794 1.002 1.00 0.00 C ATOM 395 CE LYS A 28 -8.228 0.462 0.259 1.00 0.00 C ATOM 396 NZ LYS A 28 -9.650 0.071 0.136 1.00 0.00 N ATOM 0 H LYS A 28 -4.568 0.732 3.930 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.951 2.826 2.458 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.468 0.346 2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.119 0.545 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.031 0.889 2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.494 2.535 2.989 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.874 2.482 0.658 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.140 2.253 0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.781 0.547 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.676 -0.313 0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.723 -0.966 0.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.181 0.429 0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.047 0.474 -0.737 1.00 0.00 H new ATOM 410 N ALA A 29 -5.994 2.682 5.725 1.00 0.00 N ATOM 411 CA ALA A 29 -6.314 3.442 6.922 1.00 0.00 C ATOM 412 C ALA A 29 -5.485 4.728 6.940 1.00 0.00 C ATOM 413 O ALA A 29 -5.721 5.612 7.763 1.00 0.00 O ATOM 414 CB ALA A 29 -6.071 2.575 8.158 1.00 0.00 C ATOM 0 H ALA A 29 -5.497 1.808 5.895 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.366 3.727 6.926 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.311 3.145 9.055 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.704 1.689 8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.024 2.272 8.190 1.00 0.00 H new ATOM 420 N ILE A 30 -4.531 4.793 6.022 1.00 0.00 N ATOM 421 CA ILE A 30 -3.667 5.956 5.922 1.00 0.00 C ATOM 422 C ILE A 30 -3.841 6.599 4.545 1.00 0.00 C ATOM 423 O ILE A 30 -3.149 7.560 4.212 1.00 0.00 O ATOM 424 CB ILE A 30 -2.220 5.578 6.246 1.00 0.00 C ATOM 425 CG1 ILE A 30 -1.677 4.568 5.232 1.00 0.00 C ATOM 426 CG2 ILE A 30 -2.094 5.070 7.684 1.00 0.00 C ATOM 427 CD1 ILE A 30 -0.982 5.278 4.069 1.00 0.00 C ATOM 0 H ILE A 30 -4.338 4.059 5.341 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.950 6.705 6.662 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.607 6.476 6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.975 3.895 5.724 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.494 3.954 4.852 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -1.056 4.808 7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.414 5.850 8.375 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.723 4.189 7.815 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.606 4.537 3.363 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.694 5.931 3.564 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.151 5.872 4.450 1.00 0.00 H new ATOM 439 N GLU A 31 -4.769 6.042 3.780 1.00 0.00 N ATOM 440 CA GLU A 31 -5.042 6.549 2.446 1.00 0.00 C ATOM 441 C GLU A 31 -5.587 7.977 2.522 1.00 0.00 C ATOM 442 O GLU A 31 -5.186 8.841 1.744 1.00 0.00 O ATOM 443 CB GLU A 31 -6.012 5.631 1.699 1.00 0.00 C ATOM 444 CG GLU A 31 -6.669 6.365 0.528 1.00 0.00 C ATOM 445 CD GLU A 31 -7.691 5.470 -0.175 1.00 0.00 C ATOM 446 OE1 GLU A 31 -8.662 5.073 0.505 1.00 0.00 O ATOM 447 OE2 GLU A 31 -7.479 5.202 -1.378 1.00 0.00 O ATOM 0 H GLU A 31 -5.341 5.245 4.059 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.107 6.567 1.887 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.478 4.755 1.330 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.780 5.272 2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.159 7.269 0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.905 6.680 -0.183 1.00 0.00 H new ATOM 454 N PRO A 32 -6.518 8.186 3.492 1.00 0.00 N ATOM 455 CA PRO A 32 -7.122 9.494 3.680 1.00 0.00 C ATOM 456 C PRO A 32 -6.146 10.456 4.361 1.00 0.00 C ATOM 457 O PRO A 32 -6.484 11.611 4.617 1.00 0.00 O ATOM 458 CB PRO A 32 -8.372 9.235 4.504 1.00 0.00 C ATOM 459 CG PRO A 32 -8.177 7.868 5.139 1.00 0.00 C ATOM 460 CD PRO A 32 -7.017 7.187 4.432 1.00 0.00 C ATOM 0 HA PRO A 32 -7.376 9.980 2.738 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.504 10.004 5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.263 9.251 3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.969 7.968 6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.084 7.271 5.046 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.243 6.887 5.139 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.343 6.285 3.915 1.00 0.00 H new ATOM 468 N GLN A 33 -4.955 9.945 4.634 1.00 0.00 N ATOM 469 CA GLN A 33 -3.927 10.744 5.280 1.00 0.00 C ATOM 470 C GLN A 33 -3.006 11.371 4.232 1.00 0.00 C ATOM 471 O GLN A 33 -2.180 12.224 4.557 1.00 0.00 O ATOM 472 CB GLN A 33 -3.129 9.906 6.281 1.00 0.00 C ATOM 473 CG GLN A 33 -4.004 9.484 7.463 1.00 0.00 C ATOM 474 CD GLN A 33 -3.162 9.288 8.726 1.00 0.00 C ATOM 475 OE1 GLN A 33 -3.435 9.843 9.777 1.00 0.00 O ATOM 476 NE2 GLN A 33 -2.127 8.468 8.563 1.00 0.00 N ATOM 0 H GLN A 33 -4.678 8.987 4.420 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.413 11.546 5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.731 9.021 5.784 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.275 10.480 6.642 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.767 10.241 7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.525 8.558 7.222 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.956 8.037 7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.504 8.271 9.346 1.00 0.00 H new ATOM 485 N VAL A 34 -3.178 10.925 2.996 1.00 0.00 N ATOM 486 CA VAL A 34 -2.372 11.432 1.899 1.00 0.00 C ATOM 487 C VAL A 34 -3.284 12.095 0.866 1.00 0.00 C ATOM 488 O VAL A 34 -2.935 13.128 0.295 1.00 0.00 O ATOM 489 CB VAL A 34 -1.522 10.304 1.310 1.00 0.00 C ATOM 490 CG1 VAL A 34 -2.201 8.947 1.504 1.00 0.00 C ATOM 491 CG2 VAL A 34 -1.220 10.560 -0.168 1.00 0.00 C ATOM 0 H VAL A 34 -3.864 10.218 2.730 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.677 12.193 2.255 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.574 10.283 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.576 8.163 1.076 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.341 8.759 2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.170 8.951 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.615 9.744 -0.562 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.155 10.621 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.675 11.498 -0.271 1.00 0.00 H new ATOM 501 N VAL A 35 -4.436 11.475 0.656 1.00 0.00 N ATOM 502 CA VAL A 35 -5.401 11.993 -0.299 1.00 0.00 C ATOM 503 C VAL A 35 -5.796 13.416 0.102 1.00 0.00 C ATOM 504 O VAL A 35 -5.698 14.341 -0.702 1.00 0.00 O ATOM 505 CB VAL A 35 -6.599 11.046 -0.398 1.00 0.00 C ATOM 506 CG1 VAL A 35 -7.724 11.669 -1.228 1.00 0.00 C ATOM 507 CG2 VAL A 35 -6.180 9.691 -0.972 1.00 0.00 C ATOM 0 H VAL A 35 -4.723 10.619 1.131 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.962 12.046 -1.295 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.979 10.880 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.563 10.975 -1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.051 12.597 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.361 11.879 -2.234 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.050 9.037 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.762 9.832 -1.969 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.429 9.238 -0.325 1.00 0.00 H new ATOM 517 N GLY A 36 -6.235 13.546 1.346 1.00 0.00 N ATOM 518 CA GLY A 36 -6.646 14.840 1.863 1.00 0.00 C ATOM 519 C GLY A 36 -5.556 15.446 2.750 1.00 0.00 C ATOM 520 O GLY A 36 -5.853 16.058 3.775 1.00 0.00 O ATOM 0 H GLY A 36 -6.315 12.776 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.863 15.515 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.567 14.731 2.435 1.00 0.00 H new ATOM 524 N PHE A 37 -4.316 15.256 2.322 1.00 0.00 N ATOM 525 CA PHE A 37 -3.181 15.777 3.064 1.00 0.00 C ATOM 526 C PHE A 37 -2.870 17.217 2.652 1.00 0.00 C ATOM 527 O PHE A 37 -3.309 17.673 1.597 1.00 0.00 O ATOM 528 CB PHE A 37 -1.980 14.891 2.725 1.00 0.00 C ATOM 529 CG PHE A 37 -0.644 15.429 3.242 1.00 0.00 C ATOM 530 CD1 PHE A 37 -0.360 15.380 4.571 1.00 0.00 C ATOM 531 CD2 PHE A 37 0.259 15.955 2.372 1.00 0.00 C ATOM 532 CE1 PHE A 37 0.880 15.879 5.050 1.00 0.00 C ATOM 533 CE2 PHE A 37 1.499 16.454 2.851 1.00 0.00 C ATOM 534 CZ PHE A 37 1.783 16.405 4.180 1.00 0.00 C ATOM 0 H PHE A 37 -4.073 14.749 1.471 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.401 15.773 4.131 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.145 13.897 3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.920 14.777 1.643 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.077 14.962 5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.033 15.993 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.106 15.841 6.105 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.216 16.872 2.160 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.726 16.784 4.545 1.00 0.00 H new ATOM 544 N SER A 38 -2.114 17.893 3.504 1.00 0.00 N ATOM 545 CA SER A 38 -1.739 19.272 3.242 1.00 0.00 C ATOM 546 C SER A 38 -0.411 19.593 3.929 1.00 0.00 C ATOM 547 O SER A 38 -0.280 19.431 5.141 1.00 0.00 O ATOM 548 CB SER A 38 -2.828 20.238 3.712 1.00 0.00 C ATOM 549 OG SER A 38 -3.681 20.643 2.645 1.00 0.00 O ATOM 0 H SER A 38 -1.751 17.511 4.377 1.00 0.00 H new ATOM 0 HA SER A 38 -1.622 19.396 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.423 19.761 4.491 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.364 21.117 4.159 1.00 0.00 H new ATOM 0 HG SER A 38 -3.803 19.896 2.022 1.00 0.00 H new ATOM 555 N GLY A 39 0.541 20.044 3.125 1.00 0.00 N ATOM 556 CA GLY A 39 1.855 20.389 3.642 1.00 0.00 C ATOM 557 C GLY A 39 2.912 20.326 2.537 1.00 0.00 C ATOM 558 O GLY A 39 2.610 20.567 1.369 1.00 0.00 O ATOM 0 H GLY A 39 0.429 20.178 2.120 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.830 21.391 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.124 19.705 4.447 1.00 0.00 H new ATOM 562 N LEU A 40 4.130 20.001 2.945 1.00 0.00 N ATOM 563 CA LEU A 40 5.233 19.903 2.005 1.00 0.00 C ATOM 564 C LEU A 40 5.631 18.434 1.844 1.00 0.00 C ATOM 565 O LEU A 40 5.049 17.556 2.479 1.00 0.00 O ATOM 566 CB LEU A 40 6.388 20.809 2.437 1.00 0.00 C ATOM 567 CG LEU A 40 6.489 22.156 1.718 1.00 0.00 C ATOM 568 CD1 LEU A 40 7.469 23.087 2.434 1.00 0.00 C ATOM 569 CD2 LEU A 40 6.851 21.964 0.244 1.00 0.00 C ATOM 0 H LEU A 40 4.377 19.802 3.914 1.00 0.00 H new ATOM 0 HA LEU A 40 4.928 20.261 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.296 20.997 3.507 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.323 20.269 2.288 1.00 0.00 H new ATOM 0 HG LEU A 40 5.510 22.635 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.522 24.037 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.127 23.260 3.454 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.457 22.628 2.456 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.917 22.936 -0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.812 21.455 0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.083 21.364 -0.244 1.00 0.00 H new ATOM 581 N SER A 41 6.621 18.213 0.991 1.00 0.00 N ATOM 582 CA SER A 41 7.104 16.866 0.738 1.00 0.00 C ATOM 583 C SER A 41 8.319 16.572 1.620 1.00 0.00 C ATOM 584 O SER A 41 9.241 15.875 1.199 1.00 0.00 O ATOM 585 CB SER A 41 7.460 16.677 -0.738 1.00 0.00 C ATOM 586 OG SER A 41 6.307 16.436 -1.539 1.00 0.00 O ATOM 0 H SER A 41 7.102 18.944 0.467 1.00 0.00 H new ATOM 0 HA SER A 41 6.307 16.164 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.976 17.565 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.153 15.842 -0.840 1.00 0.00 H new ATOM 0 HG SER A 41 5.770 15.723 -1.134 1.00 0.00 H new ATOM 652 N TYR A 46 4.498 14.387 6.422 1.00 0.00 N ATOM 653 CA TYR A 46 4.673 13.787 5.110 1.00 0.00 C ATOM 654 C TYR A 46 5.539 12.529 5.194 1.00 0.00 C ATOM 655 O TYR A 46 5.140 11.464 4.725 1.00 0.00 O ATOM 656 CB TYR A 46 5.396 14.834 4.260 1.00 0.00 C ATOM 657 CG TYR A 46 5.762 14.351 2.856 1.00 0.00 C ATOM 658 CD1 TYR A 46 4.872 14.517 1.814 1.00 0.00 C ATOM 659 CD2 TYR A 46 6.983 13.748 2.630 1.00 0.00 C ATOM 660 CE1 TYR A 46 5.217 14.062 0.493 1.00 0.00 C ATOM 661 CE2 TYR A 46 7.328 13.293 1.309 1.00 0.00 C ATOM 662 CZ TYR A 46 6.428 13.473 0.305 1.00 0.00 C ATOM 663 OH TYR A 46 6.754 13.043 -0.944 1.00 0.00 O ATOM 0 HA TYR A 46 3.710 13.499 4.688 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.764 15.718 4.176 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.306 15.141 4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 46 3.916 14.988 1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.680 13.618 3.445 1.00 0.00 H new ATOM 0 HE1 TYR A 46 4.529 14.186 -0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.280 12.819 1.119 1.00 0.00 H new ATOM 0 HH TYR A 46 7.649 12.644 -0.929 1.00 0.00 H new ATOM 673 N LYS A 47 6.709 12.694 5.794 1.00 0.00 N ATOM 674 CA LYS A 47 7.635 11.584 5.945 1.00 0.00 C ATOM 675 C LYS A 47 6.863 10.337 6.381 1.00 0.00 C ATOM 676 O LYS A 47 6.796 9.355 5.644 1.00 0.00 O ATOM 677 CB LYS A 47 8.776 11.964 6.891 1.00 0.00 C ATOM 678 CG LYS A 47 10.062 12.249 6.112 1.00 0.00 C ATOM 679 CD LYS A 47 9.926 13.524 5.277 1.00 0.00 C ATOM 680 CE LYS A 47 10.370 13.283 3.833 1.00 0.00 C ATOM 681 NZ LYS A 47 11.844 13.176 3.755 1.00 0.00 N ATOM 0 H LYS A 47 7.037 13.579 6.181 1.00 0.00 H new ATOM 0 HA LYS A 47 8.107 11.349 4.991 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.495 12.843 7.471 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.949 11.156 7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.896 12.352 6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.291 11.406 5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.890 13.864 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.528 14.318 5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.913 12.369 3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.025 14.100 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.128 13.013 2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.275 14.058 4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.166 12.382 4.344 1.00 0.00 H new ATOM 695 N ARG A 48 6.300 10.417 7.578 1.00 0.00 N ATOM 696 CA ARG A 48 5.536 9.307 8.121 1.00 0.00 C ATOM 697 C ARG A 48 4.597 8.737 7.056 1.00 0.00 C ATOM 698 O ARG A 48 4.619 7.539 6.781 1.00 0.00 O ATOM 699 CB ARG A 48 4.713 9.746 9.334 1.00 0.00 C ATOM 700 CG ARG A 48 4.786 8.705 10.452 1.00 0.00 C ATOM 701 CD ARG A 48 4.095 9.212 11.720 1.00 0.00 C ATOM 702 NE ARG A 48 2.626 9.196 11.536 1.00 0.00 N ATOM 703 CZ ARG A 48 1.774 9.959 12.233 1.00 0.00 C ATOM 704 NH1 ARG A 48 2.238 10.803 13.165 1.00 0.00 N ATOM 705 NH2 ARG A 48 0.457 9.877 11.999 1.00 0.00 N ATOM 0 H ARG A 48 6.358 11.233 8.187 1.00 0.00 H new ATOM 0 HA ARG A 48 6.244 8.540 8.434 1.00 0.00 H new ATOM 0 HB2 ARG A 48 5.081 10.704 9.700 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.674 9.895 9.039 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.315 7.779 10.123 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.828 8.473 10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.370 8.587 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.430 10.224 11.947 1.00 0.00 H new ATOM 0 HE ARG A 48 2.239 8.565 10.835 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.240 10.864 13.344 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.589 11.384 13.696 1.00 0.00 H new ATOM 0 HH21 ARG A 48 0.104 9.234 11.290 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.192 10.458 12.529 1.00 0.00 H new ATOM 719 N LEU A 49 3.794 9.624 6.485 1.00 0.00 N ATOM 720 CA LEU A 49 2.850 9.224 5.456 1.00 0.00 C ATOM 721 C LEU A 49 3.549 8.296 4.460 1.00 0.00 C ATOM 722 O LEU A 49 3.068 7.198 4.186 1.00 0.00 O ATOM 723 CB LEU A 49 2.212 10.454 4.807 1.00 0.00 C ATOM 724 CG LEU A 49 1.374 11.341 5.731 1.00 0.00 C ATOM 725 CD1 LEU A 49 0.517 12.318 4.924 1.00 0.00 C ATOM 726 CD2 LEU A 49 0.532 10.495 6.688 1.00 0.00 C ATOM 0 H LEU A 49 3.778 10.617 6.716 1.00 0.00 H new ATOM 0 HA LEU A 49 2.027 8.660 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.004 11.063 4.372 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.579 10.120 3.985 1.00 0.00 H new ATOM 0 HG LEU A 49 2.053 11.937 6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.068 12.936 5.605 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.163 12.955 4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.155 11.760 4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.054 11.150 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.139 9.856 6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.188 9.876 7.299 1.00 0.00 H new ATOM 738 N GLU A 50 4.673 8.773 3.945 1.00 0.00 N ATOM 739 CA GLU A 50 5.444 8.000 2.986 1.00 0.00 C ATOM 740 C GLU A 50 6.050 6.769 3.661 1.00 0.00 C ATOM 741 O GLU A 50 5.888 5.649 3.179 1.00 0.00 O ATOM 742 CB GLU A 50 6.529 8.860 2.335 1.00 0.00 C ATOM 743 CG GLU A 50 7.400 8.024 1.395 1.00 0.00 C ATOM 744 CD GLU A 50 7.829 8.841 0.174 1.00 0.00 C ATOM 745 OE1 GLU A 50 6.944 9.513 -0.398 1.00 0.00 O ATOM 746 OE2 GLU A 50 9.032 8.774 -0.159 1.00 0.00 O ATOM 0 H GLU A 50 5.068 9.685 4.174 1.00 0.00 H new ATOM 0 HA GLU A 50 4.772 7.662 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 50 6.067 9.676 1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.151 9.313 3.107 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.282 7.671 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.849 7.141 1.071 1.00 0.00 H new ATOM 753 N ARG A 51 6.737 7.017 4.767 1.00 0.00 N ATOM 754 CA ARG A 51 7.369 5.942 5.513 1.00 0.00 C ATOM 755 C ARG A 51 6.416 4.752 5.638 1.00 0.00 C ATOM 756 O ARG A 51 6.829 3.603 5.484 1.00 0.00 O ATOM 757 CB ARG A 51 7.777 6.409 6.912 1.00 0.00 C ATOM 758 CG ARG A 51 9.300 6.459 7.050 1.00 0.00 C ATOM 759 CD ARG A 51 9.764 7.844 7.507 1.00 0.00 C ATOM 760 NE ARG A 51 11.085 7.743 8.167 1.00 0.00 N ATOM 761 CZ ARG A 51 12.251 7.683 7.510 1.00 0.00 C ATOM 762 NH1 ARG A 51 12.267 7.714 6.170 1.00 0.00 N ATOM 763 NH2 ARG A 51 13.401 7.593 8.191 1.00 0.00 N ATOM 0 H ARG A 51 6.870 7.947 5.164 1.00 0.00 H new ATOM 0 HA ARG A 51 8.263 5.640 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.358 7.396 7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.362 5.734 7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.629 5.707 7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.764 6.213 6.095 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.826 8.516 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.036 8.272 8.196 1.00 0.00 H new ATOM 0 HE ARG A 51 11.109 7.717 9.186 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.392 7.783 5.651 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.155 7.668 5.669 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.389 7.570 9.211 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.288 7.547 7.690 1.00 0.00 H new ATOM 777 N ILE A 52 5.160 5.067 5.916 1.00 0.00 N ATOM 778 CA ILE A 52 4.145 4.037 6.064 1.00 0.00 C ATOM 779 C ILE A 52 3.985 3.291 4.738 1.00 0.00 C ATOM 780 O ILE A 52 4.169 2.076 4.678 1.00 0.00 O ATOM 781 CB ILE A 52 2.842 4.641 6.591 1.00 0.00 C ATOM 782 CG1 ILE A 52 3.030 5.204 8.001 1.00 0.00 C ATOM 783 CG2 ILE A 52 1.701 3.623 6.528 1.00 0.00 C ATOM 784 CD1 ILE A 52 2.243 6.504 8.182 1.00 0.00 C ATOM 0 H ILE A 52 4.821 6.021 6.043 1.00 0.00 H new ATOM 0 HA ILE A 52 4.453 3.303 6.808 1.00 0.00 H new ATOM 0 HB ILE A 52 2.566 5.475 5.945 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.701 4.470 8.736 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.089 5.387 8.185 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.786 4.078 6.908 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.549 3.311 5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.954 2.754 7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.394 6.883 9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.592 7.244 7.461 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.182 6.312 8.021 1.00 0.00 H new ATOM 796 N LEU A 53 3.643 4.050 3.706 1.00 0.00 N ATOM 797 CA LEU A 53 3.456 3.476 2.385 1.00 0.00 C ATOM 798 C LEU A 53 4.704 2.679 1.998 1.00 0.00 C ATOM 799 O LEU A 53 4.620 1.483 1.723 1.00 0.00 O ATOM 800 CB LEU A 53 3.085 4.564 1.376 1.00 0.00 C ATOM 801 CG LEU A 53 1.727 5.237 1.584 1.00 0.00 C ATOM 802 CD1 LEU A 53 1.549 6.420 0.631 1.00 0.00 C ATOM 803 CD2 LEU A 53 0.588 4.224 1.459 1.00 0.00 C ATOM 0 H LEU A 53 3.491 5.057 3.759 1.00 0.00 H new ATOM 0 HA LEU A 53 2.619 2.777 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.857 5.333 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.102 4.127 0.378 1.00 0.00 H new ATOM 0 HG LEU A 53 1.695 5.634 2.599 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.575 6.880 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.334 7.154 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.611 6.070 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.366 4.729 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.607 3.776 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.710 3.445 2.211 1.00 0.00 H new ATOM 815 N THR A 54 5.832 3.373 1.990 1.00 0.00 N ATOM 816 CA THR A 54 7.095 2.745 1.642 1.00 0.00 C ATOM 817 C THR A 54 7.320 1.493 2.492 1.00 0.00 C ATOM 818 O THR A 54 7.744 0.458 1.979 1.00 0.00 O ATOM 819 CB THR A 54 8.201 3.791 1.797 1.00 0.00 C ATOM 820 OG1 THR A 54 9.082 3.529 0.707 1.00 0.00 O ATOM 821 CG2 THR A 54 9.064 3.552 3.038 1.00 0.00 C ATOM 0 H THR A 54 5.898 4.365 2.219 1.00 0.00 H new ATOM 0 HA THR A 54 7.094 2.402 0.607 1.00 0.00 H new ATOM 0 HB THR A 54 7.755 4.784 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.828 4.164 0.730 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.833 4.322 3.100 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.438 3.591 3.930 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.537 2.572 2.969 1.00 0.00 H new ATOM 829 N LYS A 55 7.026 1.627 3.776 1.00 0.00 N ATOM 830 CA LYS A 55 7.190 0.519 4.702 1.00 0.00 C ATOM 831 C LYS A 55 6.232 -0.609 4.316 1.00 0.00 C ATOM 832 O LYS A 55 6.666 -1.694 3.934 1.00 0.00 O ATOM 833 CB LYS A 55 7.026 0.998 6.146 1.00 0.00 C ATOM 834 CG LYS A 55 7.107 -0.175 7.125 1.00 0.00 C ATOM 835 CD LYS A 55 8.548 -0.668 7.271 1.00 0.00 C ATOM 836 CE LYS A 55 8.704 -1.544 8.516 1.00 0.00 C ATOM 837 NZ LYS A 55 10.124 -1.612 8.927 1.00 0.00 N ATOM 0 H LYS A 55 6.675 2.487 4.198 1.00 0.00 H new ATOM 0 HA LYS A 55 8.201 0.116 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.801 1.727 6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.067 1.505 6.258 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.723 0.132 8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.474 -0.990 6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.834 -1.235 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.223 0.185 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.103 -1.140 9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.330 -2.547 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.212 -2.210 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.690 -2.019 8.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.469 -0.655 9.142 1.00 0.00 H new ATOM 851 N GLN A 56 4.945 -0.314 4.429 1.00 0.00 N ATOM 852 CA GLN A 56 3.921 -1.290 4.096 1.00 0.00 C ATOM 853 C GLN A 56 4.245 -1.965 2.762 1.00 0.00 C ATOM 854 O GLN A 56 4.117 -3.182 2.631 1.00 0.00 O ATOM 855 CB GLN A 56 2.536 -0.641 4.060 1.00 0.00 C ATOM 856 CG GLN A 56 2.141 -0.113 5.441 1.00 0.00 C ATOM 857 CD GLN A 56 2.252 -1.212 6.499 1.00 0.00 C ATOM 858 OE1 GLN A 56 3.023 -1.128 7.440 1.00 0.00 O ATOM 859 NE2 GLN A 56 1.439 -2.245 6.294 1.00 0.00 N ATOM 0 H GLN A 56 4.588 0.587 4.747 1.00 0.00 H new ATOM 0 HA GLN A 56 3.908 -2.054 4.874 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.532 0.177 3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.799 -1.368 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 56 2.784 0.724 5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.120 0.266 5.411 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.818 -2.252 5.485 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.437 -3.030 6.946 1.00 0.00 H new ATOM 868 N LEU A 57 4.659 -1.147 1.806 1.00 0.00 N ATOM 869 CA LEU A 57 5.002 -1.650 0.487 1.00 0.00 C ATOM 870 C LEU A 57 6.003 -2.799 0.629 1.00 0.00 C ATOM 871 O LEU A 57 5.755 -3.906 0.154 1.00 0.00 O ATOM 872 CB LEU A 57 5.495 -0.512 -0.409 1.00 0.00 C ATOM 873 CG LEU A 57 6.145 -0.932 -1.730 1.00 0.00 C ATOM 874 CD1 LEU A 57 7.606 -1.334 -1.518 1.00 0.00 C ATOM 875 CD2 LEU A 57 5.338 -2.039 -2.410 1.00 0.00 C ATOM 0 H LEU A 57 4.765 -0.139 1.919 1.00 0.00 H new ATOM 0 HA LEU A 57 4.119 -2.055 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.650 0.139 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.215 0.082 0.154 1.00 0.00 H new ATOM 0 HG LEU A 57 6.142 -0.073 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.045 -1.628 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.160 -0.489 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.656 -2.172 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.821 -2.319 -3.346 1.00 0.00 H new ATOM 0 HD22 LEU A 57 5.287 -2.908 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.329 -1.680 -2.615 1.00 0.00 H new ATOM 887 N PHE A 58 7.114 -2.496 1.285 1.00 0.00 N ATOM 888 CA PHE A 58 8.154 -3.489 1.495 1.00 0.00 C ATOM 889 C PHE A 58 7.562 -4.799 2.018 1.00 0.00 C ATOM 890 O PHE A 58 8.115 -5.872 1.782 1.00 0.00 O ATOM 891 CB PHE A 58 9.110 -2.920 2.545 1.00 0.00 C ATOM 892 CG PHE A 58 10.573 -3.314 2.332 1.00 0.00 C ATOM 893 CD1 PHE A 58 10.927 -4.626 2.308 1.00 0.00 C ATOM 894 CD2 PHE A 58 11.519 -2.351 2.168 1.00 0.00 C ATOM 895 CE1 PHE A 58 12.285 -4.992 2.111 1.00 0.00 C ATOM 896 CE2 PHE A 58 12.877 -2.716 1.970 1.00 0.00 C ATOM 897 CZ PHE A 58 13.232 -4.029 1.946 1.00 0.00 C ATOM 0 H PHE A 58 7.316 -1.577 1.678 1.00 0.00 H new ATOM 0 HA PHE A 58 8.662 -3.701 0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.033 -1.833 2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.793 -3.258 3.532 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.175 -5.390 2.439 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.238 -1.309 2.188 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.566 -6.035 2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.628 -1.951 1.838 1.00 0.00 H new ATOM 0 HZ PHE A 58 14.265 -4.307 1.796 1.00 0.00 H new ATOM 907 N GLU A 59 6.445 -4.669 2.718 1.00 0.00 N ATOM 908 CA GLU A 59 5.772 -5.830 3.277 1.00 0.00 C ATOM 909 C GLU A 59 4.965 -6.548 2.193 1.00 0.00 C ATOM 910 O GLU A 59 4.790 -7.764 2.248 1.00 0.00 O ATOM 911 CB GLU A 59 4.878 -5.432 4.453 1.00 0.00 C ATOM 912 CG GLU A 59 5.601 -5.640 5.786 1.00 0.00 C ATOM 913 CD GLU A 59 5.398 -7.065 6.304 1.00 0.00 C ATOM 914 OE1 GLU A 59 4.316 -7.623 6.019 1.00 0.00 O ATOM 915 OE2 GLU A 59 6.328 -7.564 6.973 1.00 0.00 O ATOM 0 H GLU A 59 5.989 -3.777 2.911 1.00 0.00 H new ATOM 0 HA GLU A 59 6.529 -6.518 3.655 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.584 -4.387 4.354 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.963 -6.024 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.666 -5.443 5.661 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.229 -4.926 6.521 1.00 0.00 H new ATOM 922 N ILE A 60 4.495 -5.764 1.234 1.00 0.00 N ATOM 923 CA ILE A 60 3.710 -6.310 0.139 1.00 0.00 C ATOM 924 C ILE A 60 4.573 -7.286 -0.664 1.00 0.00 C ATOM 925 O ILE A 60 4.118 -8.371 -1.023 1.00 0.00 O ATOM 926 CB ILE A 60 3.109 -5.183 -0.703 1.00 0.00 C ATOM 927 CG1 ILE A 60 2.270 -4.240 0.161 1.00 0.00 C ATOM 928 CG2 ILE A 60 2.310 -5.745 -1.880 1.00 0.00 C ATOM 929 CD1 ILE A 60 1.735 -3.069 -0.665 1.00 0.00 C ATOM 0 H ILE A 60 4.642 -4.756 1.192 1.00 0.00 H new ATOM 0 HA ILE A 60 2.862 -6.876 0.523 1.00 0.00 H new ATOM 0 HB ILE A 60 3.927 -4.595 -1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.438 -4.789 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.875 -3.862 0.985 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.893 -4.923 -2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.966 -6.342 -2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.500 -6.371 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.142 -2.414 -0.026 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.570 -2.508 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 60 1.111 -3.449 -1.474 1.00 0.00 H new ATOM 941 N ASP A 61 5.802 -6.864 -0.923 1.00 0.00 N ATOM 942 CA ASP A 61 6.732 -7.687 -1.677 1.00 0.00 C ATOM 943 C ASP A 61 7.125 -8.905 -0.838 1.00 0.00 C ATOM 944 O ASP A 61 7.406 -9.972 -1.380 1.00 0.00 O ATOM 945 CB ASP A 61 8.008 -6.911 -2.011 1.00 0.00 C ATOM 946 CG ASP A 61 8.845 -7.502 -3.147 1.00 0.00 C ATOM 947 OD1 ASP A 61 9.296 -8.655 -2.979 1.00 0.00 O ATOM 948 OD2 ASP A 61 9.014 -6.786 -4.158 1.00 0.00 O ATOM 0 H ASP A 61 6.175 -5.963 -0.624 1.00 0.00 H new ATOM 0 HA ASP A 61 6.241 -7.990 -2.602 1.00 0.00 H new ATOM 0 HB2 ASP A 61 7.735 -5.889 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.626 -6.855 -1.115 1.00 0.00 H new ATOM 953 N SER A 62 7.132 -8.704 0.472 1.00 0.00 N ATOM 954 CA SER A 62 7.485 -9.772 1.391 1.00 0.00 C ATOM 955 C SER A 62 6.525 -10.950 1.218 1.00 0.00 C ATOM 956 O SER A 62 6.940 -12.107 1.273 1.00 0.00 O ATOM 957 CB SER A 62 7.467 -9.281 2.840 1.00 0.00 C ATOM 958 OG SER A 62 8.755 -9.355 3.445 1.00 0.00 O ATOM 0 H SER A 62 6.899 -7.817 0.918 1.00 0.00 H new ATOM 0 HA SER A 62 8.498 -10.100 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.111 -8.251 2.869 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.761 -9.879 3.416 1.00 0.00 H new ATOM 0 HG SER A 62 8.702 -9.031 4.368 1.00 0.00 H new ATOM 964 N VAL A 63 5.260 -10.616 1.013 1.00 0.00 N ATOM 965 CA VAL A 63 4.237 -11.632 0.832 1.00 0.00 C ATOM 966 C VAL A 63 4.651 -12.569 -0.305 1.00 0.00 C ATOM 967 O VAL A 63 4.679 -12.167 -1.467 1.00 0.00 O ATOM 968 CB VAL A 63 2.878 -10.971 0.596 1.00 0.00 C ATOM 969 CG1 VAL A 63 1.905 -11.942 -0.077 1.00 0.00 C ATOM 970 CG2 VAL A 63 2.297 -10.431 1.904 1.00 0.00 C ATOM 0 H VAL A 63 4.920 -9.656 0.968 1.00 0.00 H new ATOM 0 HA VAL A 63 4.137 -12.237 1.733 1.00 0.00 H new ATOM 0 HB VAL A 63 3.028 -10.127 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.947 -11.447 -0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.312 -12.257 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.763 -12.815 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.331 -9.966 1.708 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.169 -11.251 2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.977 -9.691 2.326 1.00 0.00 H new ATOM 980 N ASP A 64 4.962 -13.801 0.070 1.00 0.00 N ATOM 981 CA ASP A 64 5.374 -14.799 -0.903 1.00 0.00 C ATOM 982 C ASP A 64 4.198 -15.117 -1.829 1.00 0.00 C ATOM 983 O ASP A 64 3.103 -15.428 -1.363 1.00 0.00 O ATOM 984 CB ASP A 64 5.798 -16.098 -0.215 1.00 0.00 C ATOM 985 CG ASP A 64 6.643 -17.039 -1.075 1.00 0.00 C ATOM 986 OD1 ASP A 64 7.510 -16.514 -1.807 1.00 0.00 O ATOM 987 OD2 ASP A 64 6.403 -18.262 -0.982 1.00 0.00 O ATOM 0 H ASP A 64 4.937 -14.131 1.035 1.00 0.00 H new ATOM 0 HA ASP A 64 6.218 -14.396 -1.463 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.361 -15.848 0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.903 -16.630 0.107 1.00 0.00 H new ATOM 992 N THR A 65 4.465 -15.027 -3.124 1.00 0.00 N ATOM 993 CA THR A 65 3.442 -15.302 -4.119 1.00 0.00 C ATOM 994 C THR A 65 3.570 -16.737 -4.633 1.00 0.00 C ATOM 995 O THR A 65 2.581 -17.464 -4.708 1.00 0.00 O ATOM 996 CB THR A 65 3.562 -14.248 -5.222 1.00 0.00 C ATOM 997 OG1 THR A 65 4.910 -14.364 -5.669 1.00 0.00 O ATOM 998 CG2 THR A 65 3.470 -12.820 -4.680 1.00 0.00 C ATOM 0 H THR A 65 5.374 -14.768 -3.507 1.00 0.00 H new ATOM 0 HA THR A 65 2.443 -15.233 -3.690 1.00 0.00 H new ATOM 0 HB THR A 65 2.777 -14.406 -5.962 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.074 -13.717 -6.386 1.00 0.00 H new ATOM 0 HG21 THR A 65 3.561 -12.112 -5.503 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.509 -12.680 -4.185 1.00 0.00 H new ATOM 0 HG23 THR A 65 4.275 -12.650 -3.965 1.00 0.00 H new ATOM 1006 N GLU A 66 4.797 -17.102 -4.975 1.00 0.00 N ATOM 1007 CA GLU A 66 5.067 -18.437 -5.480 1.00 0.00 C ATOM 1008 C GLU A 66 4.254 -18.699 -6.749 1.00 0.00 C ATOM 1009 O GLU A 66 3.717 -19.791 -6.932 1.00 0.00 O ATOM 1010 CB GLU A 66 4.776 -19.496 -4.414 1.00 0.00 C ATOM 1011 CG GLU A 66 5.825 -20.609 -4.446 1.00 0.00 C ATOM 1012 CD GLU A 66 5.196 -21.966 -4.123 1.00 0.00 C ATOM 1013 OE1 GLU A 66 5.054 -22.252 -2.914 1.00 0.00 O ATOM 1014 OE2 GLU A 66 4.870 -22.685 -5.091 1.00 0.00 O ATOM 0 H GLU A 66 5.615 -16.496 -4.912 1.00 0.00 H new ATOM 0 HA GLU A 66 6.126 -18.502 -5.730 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.764 -19.031 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.785 -19.920 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.291 -20.646 -5.431 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.615 -20.390 -3.727 1.00 0.00 H new ATOM 1021 N GLY A 67 4.189 -17.680 -7.593 1.00 0.00 N ATOM 1022 CA GLY A 67 3.450 -17.786 -8.840 1.00 0.00 C ATOM 1023 C GLY A 67 2.158 -18.582 -8.645 1.00 0.00 C ATOM 1024 O GLY A 67 1.869 -19.500 -9.410 1.00 0.00 O ATOM 0 H GLY A 67 4.636 -16.776 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.215 -16.789 -9.213 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.070 -18.271 -9.594 1.00 0.00 H new ATOM 1028 N LYS A 68 1.415 -18.199 -7.617 1.00 0.00 N ATOM 1029 CA LYS A 68 0.160 -18.865 -7.312 1.00 0.00 C ATOM 1030 C LYS A 68 -0.983 -18.143 -8.029 1.00 0.00 C ATOM 1031 O LYS A 68 -1.835 -18.781 -8.645 1.00 0.00 O ATOM 1032 CB LYS A 68 -0.035 -18.974 -5.798 1.00 0.00 C ATOM 1033 CG LYS A 68 0.847 -20.077 -5.210 1.00 0.00 C ATOM 1034 CD LYS A 68 0.530 -20.301 -3.730 1.00 0.00 C ATOM 1035 CE LYS A 68 1.457 -21.358 -3.125 1.00 0.00 C ATOM 1036 NZ LYS A 68 0.708 -22.603 -2.842 1.00 0.00 N ATOM 0 H LYS A 68 1.658 -17.436 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 68 0.173 -19.890 -7.683 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.206 -18.021 -5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.082 -19.183 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.694 -21.004 -5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.897 -19.808 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.638 -19.363 -3.185 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.508 -20.616 -3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.277 -21.568 -3.812 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.902 -20.977 -2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.351 -23.310 -2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.059 -22.401 -2.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.304 -22.974 -3.726 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.964 -16.823 -7.924 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.988 -16.007 -8.555 1.00 0.00 C ATOM 1052 C GLY A 69 -2.841 -15.290 -7.506 1.00 0.00 C ATOM 1053 O GLY A 69 -2.865 -14.062 -7.455 1.00 0.00 O ATOM 0 H GLY A 69 -0.256 -16.298 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.520 -15.274 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.624 -16.634 -9.180 1.00 0.00 H new ATOM 1057 N ASP A 70 -3.520 -16.089 -6.696 1.00 0.00 N ATOM 1058 CA ASP A 70 -4.372 -15.546 -5.652 1.00 0.00 C ATOM 1059 C ASP A 70 -3.646 -14.393 -4.955 1.00 0.00 C ATOM 1060 O ASP A 70 -4.283 -13.477 -4.437 1.00 0.00 O ATOM 1061 CB ASP A 70 -4.694 -16.607 -4.597 1.00 0.00 C ATOM 1062 CG ASP A 70 -5.055 -17.985 -5.156 1.00 0.00 C ATOM 1063 OD1 ASP A 70 -6.246 -18.167 -5.490 1.00 0.00 O ATOM 1064 OD2 ASP A 70 -4.133 -18.824 -5.236 1.00 0.00 O ATOM 0 H ASP A 70 -3.497 -17.108 -6.742 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.297 -15.205 -6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.834 -16.713 -3.936 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.523 -16.251 -3.986 1.00 0.00 H new ATOM 1069 N ILE A 71 -2.324 -14.476 -4.966 1.00 0.00 N ATOM 1070 CA ILE A 71 -1.505 -13.450 -4.342 1.00 0.00 C ATOM 1071 C ILE A 71 -0.963 -12.510 -5.420 1.00 0.00 C ATOM 1072 O ILE A 71 -1.093 -11.292 -5.309 1.00 0.00 O ATOM 1073 CB ILE A 71 -0.415 -14.088 -3.478 1.00 0.00 C ATOM 1074 CG1 ILE A 71 -1.017 -15.072 -2.473 1.00 0.00 C ATOM 1075 CG2 ILE A 71 0.437 -13.018 -2.793 1.00 0.00 C ATOM 1076 CD1 ILE A 71 0.030 -16.082 -2.000 1.00 0.00 C ATOM 0 H ILE A 71 -1.799 -15.237 -5.397 1.00 0.00 H new ATOM 0 HA ILE A 71 -2.105 -12.844 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 71 0.247 -14.659 -4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.414 -14.526 -1.617 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.854 -15.598 -2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.204 -13.498 -2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.912 -12.392 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -0.197 -12.401 -2.156 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.424 -16.770 -1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.407 -16.643 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 71 0.854 -15.554 -1.521 1.00 0.00 H new ATOM 1088 N GLN A 72 -0.367 -13.111 -6.440 1.00 0.00 N ATOM 1089 CA GLN A 72 0.194 -12.342 -7.537 1.00 0.00 C ATOM 1090 C GLN A 72 -0.803 -11.281 -8.007 1.00 0.00 C ATOM 1091 O GLN A 72 -0.411 -10.265 -8.579 1.00 0.00 O ATOM 1092 CB GLN A 72 0.607 -13.256 -8.693 1.00 0.00 C ATOM 1093 CG GLN A 72 2.065 -13.016 -9.088 1.00 0.00 C ATOM 1094 CD GLN A 72 2.178 -12.646 -10.569 1.00 0.00 C ATOM 1095 OE1 GLN A 72 1.881 -13.431 -11.455 1.00 0.00 O ATOM 1096 NE2 GLN A 72 2.622 -11.412 -10.786 1.00 0.00 N ATOM 0 H GLN A 72 -0.261 -14.122 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 72 1.091 -11.836 -7.178 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.472 -14.298 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.040 -13.077 -9.552 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.484 -12.217 -8.477 1.00 0.00 H new ATOM 0 HG3 GLN A 72 2.652 -13.912 -8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.852 -10.807 -9.998 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.732 -11.070 -11.741 1.00 0.00 H new ATOM 1105 N GLN A 73 -2.074 -11.553 -7.748 1.00 0.00 N ATOM 1106 CA GLN A 73 -3.130 -10.634 -8.138 1.00 0.00 C ATOM 1107 C GLN A 73 -3.296 -9.539 -7.082 1.00 0.00 C ATOM 1108 O GLN A 73 -3.264 -8.352 -7.404 1.00 0.00 O ATOM 1109 CB GLN A 73 -4.447 -11.379 -8.368 1.00 0.00 C ATOM 1110 CG GLN A 73 -4.712 -11.574 -9.862 1.00 0.00 C ATOM 1111 CD GLN A 73 -6.074 -10.999 -10.256 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -6.998 -11.712 -10.612 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -6.146 -9.674 -10.175 1.00 0.00 N ATOM 0 H GLN A 73 -2.396 -12.396 -7.273 1.00 0.00 H new ATOM 0 HA GLN A 73 -2.848 -10.164 -9.080 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.412 -12.349 -7.871 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.268 -10.820 -7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.927 -11.088 -10.441 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -4.677 -12.636 -10.106 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -5.335 -9.137 -9.869 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -7.013 -9.195 -10.418 1.00 0.00 H new ATOM 1122 N ALA A 74 -3.471 -9.977 -5.844 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.642 -9.048 -4.739 1.00 0.00 C ATOM 1124 C ALA A 74 -2.339 -8.278 -4.519 1.00 0.00 C ATOM 1125 O ALA A 74 -2.322 -7.050 -4.577 1.00 0.00 O ATOM 1126 CB ALA A 74 -4.085 -9.815 -3.492 1.00 0.00 C ATOM 0 H ALA A 74 -3.498 -10.962 -5.581 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.420 -8.319 -4.967 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.213 -9.119 -2.663 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.030 -10.320 -3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.327 -10.554 -3.231 1.00 0.00 H new ATOM 1132 N ARG A 75 -1.278 -9.032 -4.270 1.00 0.00 N ATOM 1133 CA ARG A 75 0.027 -8.436 -4.041 1.00 0.00 C ATOM 1134 C ARG A 75 0.227 -7.228 -4.958 1.00 0.00 C ATOM 1135 O ARG A 75 0.220 -6.087 -4.499 1.00 0.00 O ATOM 1136 CB ARG A 75 1.147 -9.448 -4.290 1.00 0.00 C ATOM 1137 CG ARG A 75 2.154 -9.446 -3.138 1.00 0.00 C ATOM 1138 CD ARG A 75 3.582 -9.278 -3.660 1.00 0.00 C ATOM 1139 NE ARG A 75 4.388 -10.473 -3.324 1.00 0.00 N ATOM 1140 CZ ARG A 75 5.683 -10.619 -3.636 1.00 0.00 C ATOM 1141 NH1 ARG A 75 6.327 -9.644 -4.293 1.00 0.00 N ATOM 1142 NH2 ARG A 75 6.334 -11.738 -3.291 1.00 0.00 N ATOM 0 H ARG A 75 -1.296 -10.051 -4.222 1.00 0.00 H new ATOM 0 HA ARG A 75 0.067 -8.117 -3.000 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.722 -10.445 -4.405 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.657 -9.209 -5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.918 -8.638 -2.446 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.074 -10.378 -2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.568 -9.130 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.036 -8.389 -3.223 1.00 0.00 H new ATOM 0 HE ARG A 75 3.929 -11.234 -2.823 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.831 -8.792 -4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 75 7.313 -9.754 -4.531 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.844 -12.479 -2.791 1.00 0.00 H new ATOM 0 HH22 ARG A 75 7.320 -11.848 -3.529 1.00 0.00 H new ATOM 1156 N LYS A 76 0.402 -7.521 -6.239 1.00 0.00 N ATOM 1157 CA LYS A 76 0.604 -6.473 -7.225 1.00 0.00 C ATOM 1158 C LYS A 76 -0.470 -5.397 -7.048 1.00 0.00 C ATOM 1159 O LYS A 76 -0.157 -4.211 -6.959 1.00 0.00 O ATOM 1160 CB LYS A 76 0.653 -7.066 -8.635 1.00 0.00 C ATOM 1161 CG LYS A 76 -0.748 -7.149 -9.243 1.00 0.00 C ATOM 1162 CD LYS A 76 -0.690 -7.658 -10.685 1.00 0.00 C ATOM 1163 CE LYS A 76 -2.096 -7.905 -11.236 1.00 0.00 C ATOM 1164 NZ LYS A 76 -2.756 -6.622 -11.566 1.00 0.00 N ATOM 0 H LYS A 76 0.408 -8.469 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 76 1.569 -5.989 -7.073 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.293 -6.453 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.098 -8.061 -8.600 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.370 -7.814 -8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.218 -6.166 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.173 -6.931 -11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.112 -8.581 -10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.039 -8.531 -12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.691 -8.448 -10.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.709 -6.808 -11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.827 -6.038 -10.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.196 -6.118 -12.283 1.00 0.00 H new ATOM 1178 N ARG A 77 -1.714 -5.851 -7.000 1.00 0.00 N ATOM 1179 CA ARG A 77 -2.836 -4.942 -6.835 1.00 0.00 C ATOM 1180 C ARG A 77 -2.588 -4.003 -5.653 1.00 0.00 C ATOM 1181 O ARG A 77 -2.843 -2.803 -5.744 1.00 0.00 O ATOM 1182 CB ARG A 77 -4.138 -5.711 -6.603 1.00 0.00 C ATOM 1183 CG ARG A 77 -4.761 -6.147 -7.930 1.00 0.00 C ATOM 1184 CD ARG A 77 -5.712 -5.076 -8.468 1.00 0.00 C ATOM 1185 NE ARG A 77 -6.155 -5.432 -9.834 1.00 0.00 N ATOM 1186 CZ ARG A 77 -7.173 -4.839 -10.472 1.00 0.00 C ATOM 1187 NH1 ARG A 77 -7.861 -3.858 -9.871 1.00 0.00 N ATOM 1188 NH2 ARG A 77 -7.505 -5.227 -11.711 1.00 0.00 N ATOM 0 H ARG A 77 -1.970 -6.836 -7.072 1.00 0.00 H new ATOM 0 HA ARG A 77 -2.930 -4.360 -7.752 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -3.942 -6.587 -5.984 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.842 -5.085 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.974 -6.339 -8.659 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -5.303 -7.083 -7.791 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -6.576 -4.981 -7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -5.212 -4.107 -8.480 1.00 0.00 H new ATOM 0 HE ARG A 77 -5.654 -6.175 -10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.610 -3.563 -8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.636 -3.407 -10.357 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -6.983 -5.974 -12.169 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -8.280 -4.775 -12.196 1.00 0.00 H new ATOM 1202 N ALA A 78 -2.093 -4.584 -4.570 1.00 0.00 N ATOM 1203 CA ALA A 78 -1.809 -3.814 -3.371 1.00 0.00 C ATOM 1204 C ALA A 78 -0.573 -2.945 -3.610 1.00 0.00 C ATOM 1205 O ALA A 78 -0.582 -1.751 -3.315 1.00 0.00 O ATOM 1206 CB ALA A 78 -1.633 -4.764 -2.184 1.00 0.00 C ATOM 0 H ALA A 78 -1.881 -5.579 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.640 -3.149 -3.136 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.420 -4.187 -1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.548 -5.338 -2.039 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.805 -5.445 -2.383 1.00 0.00 H new ATOM 1212 N ALA A 79 0.462 -3.577 -4.143 1.00 0.00 N ATOM 1213 CA ALA A 79 1.703 -2.877 -4.426 1.00 0.00 C ATOM 1214 C ALA A 79 1.397 -1.605 -5.219 1.00 0.00 C ATOM 1215 O ALA A 79 1.978 -0.552 -4.960 1.00 0.00 O ATOM 1216 CB ALA A 79 2.660 -3.811 -5.169 1.00 0.00 C ATOM 0 H ALA A 79 0.466 -4.567 -4.387 1.00 0.00 H new ATOM 0 HA ALA A 79 2.194 -2.578 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.591 -3.285 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.869 -4.684 -4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.203 -4.131 -6.105 1.00 0.00 H new ATOM 1222 N GLN A 80 0.484 -1.744 -6.170 1.00 0.00 N ATOM 1223 CA GLN A 80 0.093 -0.620 -7.003 1.00 0.00 C ATOM 1224 C GLN A 80 -0.715 0.390 -6.186 1.00 0.00 C ATOM 1225 O GLN A 80 -0.466 1.593 -6.256 1.00 0.00 O ATOM 1226 CB GLN A 80 -0.694 -1.092 -8.226 1.00 0.00 C ATOM 1227 CG GLN A 80 0.208 -1.852 -9.200 1.00 0.00 C ATOM 1228 CD GLN A 80 -0.546 -2.208 -10.482 1.00 0.00 C ATOM 1229 OE1 GLN A 80 -1.745 -2.436 -10.485 1.00 0.00 O ATOM 1230 NE2 GLN A 80 0.220 -2.245 -11.569 1.00 0.00 N ATOM 0 H GLN A 80 0.004 -2.619 -6.382 1.00 0.00 H new ATOM 0 HA GLN A 80 0.996 -0.127 -7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -1.515 -1.735 -7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -1.138 -0.234 -8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.080 -1.244 -9.443 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.576 -2.762 -8.726 1.00 0.00 H new ATOM 0 HE21 GLN A 80 1.217 -2.044 -11.497 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -0.190 -2.475 -12.474 1.00 0.00 H new ATOM 1239 N GLU A 81 -1.667 -0.136 -5.429 1.00 0.00 N ATOM 1240 CA GLU A 81 -2.514 0.705 -4.600 1.00 0.00 C ATOM 1241 C GLU A 81 -1.657 1.615 -3.717 1.00 0.00 C ATOM 1242 O GLU A 81 -1.870 2.825 -3.676 1.00 0.00 O ATOM 1243 CB GLU A 81 -3.466 -0.142 -3.753 1.00 0.00 C ATOM 1244 CG GLU A 81 -4.897 0.392 -3.838 1.00 0.00 C ATOM 1245 CD GLU A 81 -5.576 0.360 -2.467 1.00 0.00 C ATOM 1246 OE1 GLU A 81 -5.678 -0.754 -1.909 1.00 0.00 O ATOM 1247 OE2 GLU A 81 -5.978 1.451 -2.007 1.00 0.00 O ATOM 0 H GLU A 81 -1.870 -1.134 -5.372 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.121 1.332 -5.253 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.439 -1.177 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.134 -0.140 -2.715 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -4.886 1.413 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -5.471 -0.206 -4.546 1.00 0.00 H new ATOM 1254 N THR A 82 -0.705 0.997 -3.033 1.00 0.00 N ATOM 1255 CA THR A 82 0.185 1.736 -2.154 1.00 0.00 C ATOM 1256 C THR A 82 1.011 2.743 -2.956 1.00 0.00 C ATOM 1257 O THR A 82 0.997 3.937 -2.661 1.00 0.00 O ATOM 1258 CB THR A 82 1.038 0.724 -1.386 1.00 0.00 C ATOM 1259 OG1 THR A 82 0.287 0.463 -0.204 1.00 0.00 O ATOM 1260 CG2 THR A 82 2.345 1.331 -0.872 1.00 0.00 C ATOM 0 H THR A 82 -0.531 -0.007 -3.070 1.00 0.00 H new ATOM 0 HA THR A 82 -0.375 2.327 -1.429 1.00 0.00 H new ATOM 0 HB THR A 82 1.262 -0.126 -2.031 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.072 -0.448 -0.239 1.00 0.00 H new ATOM 0 HG21 THR A 82 2.912 0.571 -0.335 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.933 1.695 -1.714 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.122 2.160 -0.200 1.00 0.00 H new ATOM 1268 N GLU A 83 1.711 2.225 -3.954 1.00 0.00 N ATOM 1269 CA GLU A 83 2.542 3.064 -4.801 1.00 0.00 C ATOM 1270 C GLU A 83 1.718 4.218 -5.376 1.00 0.00 C ATOM 1271 O GLU A 83 2.254 5.289 -5.655 1.00 0.00 O ATOM 1272 CB GLU A 83 3.192 2.244 -5.917 1.00 0.00 C ATOM 1273 CG GLU A 83 4.143 1.192 -5.342 1.00 0.00 C ATOM 1274 CD GLU A 83 5.523 1.792 -5.068 1.00 0.00 C ATOM 1275 OE1 GLU A 83 5.922 2.679 -5.852 1.00 0.00 O ATOM 1276 OE2 GLU A 83 6.149 1.349 -4.080 1.00 0.00 O ATOM 0 H GLU A 83 1.720 1.234 -4.195 1.00 0.00 H new ATOM 0 HA GLU A 83 3.342 3.483 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.420 1.755 -6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.739 2.906 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.728 0.788 -4.419 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.236 0.360 -6.040 1.00 0.00 H new ATOM 1283 N ARG A 84 0.429 3.959 -5.538 1.00 0.00 N ATOM 1284 CA ARG A 84 -0.474 4.962 -6.075 1.00 0.00 C ATOM 1285 C ARG A 84 -0.531 6.177 -5.147 1.00 0.00 C ATOM 1286 O ARG A 84 -0.298 7.305 -5.579 1.00 0.00 O ATOM 1287 CB ARG A 84 -1.885 4.396 -6.251 1.00 0.00 C ATOM 1288 CG ARG A 84 -2.745 5.324 -7.111 1.00 0.00 C ATOM 1289 CD ARG A 84 -2.136 5.502 -8.503 1.00 0.00 C ATOM 1290 NE ARG A 84 -3.194 5.851 -9.478 1.00 0.00 N ATOM 1291 CZ ARG A 84 -2.962 6.153 -10.762 1.00 0.00 C ATOM 1292 NH1 ARG A 84 -1.708 6.151 -11.235 1.00 0.00 N ATOM 1293 NH2 ARG A 84 -3.984 6.457 -11.574 1.00 0.00 N ATOM 0 H ARG A 84 -0.012 3.069 -5.307 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.092 5.263 -7.050 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.830 3.411 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.352 4.263 -5.275 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.751 4.914 -7.200 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.838 6.295 -6.624 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.378 6.285 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.636 4.584 -8.810 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.160 5.862 -9.151 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.930 5.919 -10.617 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.531 6.381 -12.213 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.938 6.458 -11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.807 6.687 -12.552 1.00 0.00 H new ATOM 1307 N LEU A 85 -0.843 5.905 -3.888 1.00 0.00 N ATOM 1308 CA LEU A 85 -0.934 6.962 -2.895 1.00 0.00 C ATOM 1309 C LEU A 85 0.429 7.642 -2.754 1.00 0.00 C ATOM 1310 O LEU A 85 0.508 8.864 -2.631 1.00 0.00 O ATOM 1311 CB LEU A 85 -1.487 6.413 -1.578 1.00 0.00 C ATOM 1312 CG LEU A 85 -3.007 6.259 -1.500 1.00 0.00 C ATOM 1313 CD1 LEU A 85 -3.392 5.041 -0.659 1.00 0.00 C ATOM 1314 CD2 LEU A 85 -3.662 7.542 -0.984 1.00 0.00 C ATOM 0 H LEU A 85 -1.036 4.968 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.640 7.727 -3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.033 5.439 -1.395 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.167 7.071 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.385 6.087 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.478 4.955 -0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.972 4.141 -1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.001 5.158 0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.742 7.406 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.282 7.769 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.428 8.366 -1.658 1.00 0.00 H new ATOM 1326 N LEU A 86 1.469 6.822 -2.777 1.00 0.00 N ATOM 1327 CA LEU A 86 2.825 7.329 -2.653 1.00 0.00 C ATOM 1328 C LEU A 86 3.048 8.434 -3.688 1.00 0.00 C ATOM 1329 O LEU A 86 3.935 9.271 -3.527 1.00 0.00 O ATOM 1330 CB LEU A 86 3.836 6.185 -2.748 1.00 0.00 C ATOM 1331 CG LEU A 86 4.612 5.867 -1.468 1.00 0.00 C ATOM 1332 CD1 LEU A 86 4.990 4.386 -1.410 1.00 0.00 C ATOM 1333 CD2 LEU A 86 5.834 6.776 -1.328 1.00 0.00 C ATOM 0 H LEU A 86 1.400 5.810 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 86 2.976 7.776 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.308 5.285 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.553 6.424 -3.534 1.00 0.00 H new ATOM 0 HG LEU A 86 3.962 6.067 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.541 4.187 -0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.085 3.779 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.614 4.136 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.368 6.529 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.495 6.631 -2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.511 7.816 -1.291 1.00 0.00 H new ATOM 1345 N LYS A 87 2.228 8.401 -4.728 1.00 0.00 N ATOM 1346 CA LYS A 87 2.324 9.389 -5.789 1.00 0.00 C ATOM 1347 C LYS A 87 1.468 10.604 -5.427 1.00 0.00 C ATOM 1348 O LYS A 87 1.868 11.743 -5.666 1.00 0.00 O ATOM 1349 CB LYS A 87 1.965 8.763 -7.138 1.00 0.00 C ATOM 1350 CG LYS A 87 1.255 9.775 -8.040 1.00 0.00 C ATOM 1351 CD LYS A 87 1.651 9.577 -9.504 1.00 0.00 C ATOM 1352 CE LYS A 87 0.889 8.404 -10.125 1.00 0.00 C ATOM 1353 NZ LYS A 87 -0.211 8.897 -10.983 1.00 0.00 N ATOM 0 H LYS A 87 1.494 7.705 -4.859 1.00 0.00 H new ATOM 0 HA LYS A 87 3.351 9.741 -5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.870 8.405 -7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.323 7.896 -6.981 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.176 9.668 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.507 10.788 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 87 1.445 10.488 -10.066 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.724 9.396 -9.573 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.571 7.791 -10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.486 7.767 -9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.359 8.236 -11.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.084 8.967 -10.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.035 9.835 -11.358 1.00 0.00 H new ATOM 1367 N GLU A 88 0.306 10.321 -4.857 1.00 0.00 N ATOM 1368 CA GLU A 88 -0.610 11.377 -4.460 1.00 0.00 C ATOM 1369 C GLU A 88 0.032 12.263 -3.391 1.00 0.00 C ATOM 1370 O GLU A 88 -0.041 13.488 -3.468 1.00 0.00 O ATOM 1371 CB GLU A 88 -1.936 10.796 -3.966 1.00 0.00 C ATOM 1372 CG GLU A 88 -2.965 10.740 -5.097 1.00 0.00 C ATOM 1373 CD GLU A 88 -3.220 12.133 -5.676 1.00 0.00 C ATOM 1374 OE1 GLU A 88 -4.013 12.871 -5.051 1.00 0.00 O ATOM 1375 OE2 GLU A 88 -2.616 12.429 -6.729 1.00 0.00 O ATOM 0 H GLU A 88 -0.022 9.375 -4.661 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.824 11.992 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.773 9.794 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.322 11.405 -3.148 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.610 10.075 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -3.899 10.321 -4.723 1.00 0.00 H new ATOM 1382 N LEU A 89 0.648 11.608 -2.417 1.00 0.00 N ATOM 1383 CA LEU A 89 1.303 12.321 -1.334 1.00 0.00 C ATOM 1384 C LEU A 89 2.063 13.520 -1.904 1.00 0.00 C ATOM 1385 O LEU A 89 1.765 14.665 -1.569 1.00 0.00 O ATOM 1386 CB LEU A 89 2.179 11.368 -0.518 1.00 0.00 C ATOM 1387 CG LEU A 89 2.495 11.807 0.913 1.00 0.00 C ATOM 1388 CD1 LEU A 89 1.219 12.191 1.664 1.00 0.00 C ATOM 1389 CD2 LEU A 89 3.293 10.731 1.653 1.00 0.00 C ATOM 0 H LEU A 89 0.707 10.592 -2.356 1.00 0.00 H new ATOM 0 HA LEU A 89 0.565 12.715 -0.636 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.686 10.397 -0.478 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.120 11.226 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 89 3.121 12.698 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.473 12.499 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.726 13.015 1.147 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.547 11.333 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 89 3.504 11.068 2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.713 9.809 1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 89 4.231 10.548 1.129 1.00 0.00 H new ATOM 1401 N GLU A 90 3.032 13.215 -2.755 1.00 0.00 N ATOM 1402 CA GLU A 90 3.838 14.253 -3.374 1.00 0.00 C ATOM 1403 C GLU A 90 2.949 15.410 -3.837 1.00 0.00 C ATOM 1404 O GLU A 90 3.073 16.529 -3.343 1.00 0.00 O ATOM 1405 CB GLU A 90 4.656 13.691 -4.538 1.00 0.00 C ATOM 1406 CG GLU A 90 5.974 13.092 -4.043 1.00 0.00 C ATOM 1407 CD GLU A 90 7.033 13.108 -5.148 1.00 0.00 C ATOM 1408 OE1 GLU A 90 6.783 12.453 -6.183 1.00 0.00 O ATOM 1409 OE2 GLU A 90 8.068 13.774 -4.932 1.00 0.00 O ATOM 0 H GLU A 90 3.277 12.264 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 90 4.539 14.633 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.078 12.927 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 90 4.860 14.482 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 90 6.333 13.656 -3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 90 5.809 12.068 -3.707 1.00 0.00 H new ATOM 1416 N GLN A 91 2.073 15.099 -4.781 1.00 0.00 N ATOM 1417 CA GLN A 91 1.163 16.098 -5.316 1.00 0.00 C ATOM 1418 C GLN A 91 0.400 16.783 -4.181 1.00 0.00 C ATOM 1419 O GLN A 91 0.502 17.996 -4.002 1.00 0.00 O ATOM 1420 CB GLN A 91 0.199 15.476 -6.328 1.00 0.00 C ATOM 1421 CG GLN A 91 0.720 15.646 -7.757 1.00 0.00 C ATOM 1422 CD GLN A 91 -0.436 15.738 -8.755 1.00 0.00 C ATOM 1423 OE1 GLN A 91 -0.766 16.795 -9.266 1.00 0.00 O ATOM 1424 NE2 GLN A 91 -1.032 14.575 -9.001 1.00 0.00 N ATOM 0 H GLN A 91 1.974 14.170 -5.189 1.00 0.00 H new ATOM 0 HA GLN A 91 1.750 16.852 -5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 91 0.069 14.416 -6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.782 15.943 -6.236 1.00 0.00 H new ATOM 0 HG2 GLN A 91 1.332 16.546 -7.820 1.00 0.00 H new ATOM 0 HG3 GLN A 91 1.363 14.805 -8.016 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.705 13.727 -8.539 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.816 14.531 -9.652 1.00 0.00 H new ATOM 1433 N ASN A 92 -0.349 15.976 -3.443 1.00 0.00 N ATOM 1434 CA ASN A 92 -1.129 16.489 -2.330 1.00 0.00 C ATOM 1435 C ASN A 92 -0.286 17.494 -1.541 1.00 0.00 C ATOM 1436 O ASN A 92 -0.725 18.614 -1.288 1.00 0.00 O ATOM 1437 CB ASN A 92 -1.537 15.364 -1.378 1.00 0.00 C ATOM 1438 CG ASN A 92 -3.047 15.124 -1.426 1.00 0.00 C ATOM 1439 OD1 ASN A 92 -3.404 14.062 -2.144 1.00 0.00 O flip ATOM 1440 ND2 ASN A 92 -3.837 15.855 -0.851 1.00 0.00 N flip ATOM 0 H ASN A 92 -0.432 14.971 -3.594 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.024 16.960 -2.736 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.011 14.448 -1.646 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.238 15.617 -0.361 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.496 16.654 -0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.838 15.667 -0.905 1.00 0.00 H new ATOM 1447 N ALA A 93 0.909 17.055 -1.175 1.00 0.00 N ATOM 1448 CA ALA A 93 1.818 17.902 -0.421 1.00 0.00 C ATOM 1449 C ALA A 93 1.766 19.325 -0.980 1.00 0.00 C ATOM 1450 O ALA A 93 1.056 20.179 -0.450 1.00 0.00 O ATOM 1451 CB ALA A 93 3.227 17.308 -0.468 1.00 0.00 C ATOM 0 H ALA A 93 1.269 16.124 -1.386 1.00 0.00 H new ATOM 0 HA ALA A 93 1.519 17.949 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.909 17.943 0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.216 16.309 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 93 3.562 17.248 -1.503 1.00 0.00 H new ATOM 1457 N SER A 94 2.526 19.536 -2.045 1.00 0.00 N ATOM 1458 CA SER A 94 2.576 20.841 -2.682 1.00 0.00 C ATOM 1459 C SER A 94 3.300 20.740 -4.026 1.00 0.00 C ATOM 1460 O SER A 94 2.735 21.074 -5.066 1.00 0.00 O ATOM 1461 CB SER A 94 3.267 21.868 -1.782 1.00 0.00 C ATOM 1462 OG SER A 94 2.797 23.191 -2.024 1.00 0.00 O ATOM 0 H SER A 94 3.112 18.825 -2.483 1.00 0.00 H new ATOM 0 HA SER A 94 1.553 21.178 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.096 21.608 -0.737 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.344 21.830 -1.948 1.00 0.00 H new ATOM 0 HG SER A 94 3.261 23.817 -1.429 1.00 0.00 H new