USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 731 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 103 THR OG1 : rot 44:sc= 0.026 USER MOD Set 1.2: A 105 HIS : no HD1:sc= -0.235 X(o=-0.21,f=0.15) USER MOD Set 2.1: A 55 SER OG : rot 150:sc= 0 USER MOD Set 2.2: A 64 HIS : no HD1:sc= -0.473 X(o=-0.47,f=-0.41) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.722 X(o=-0.72,f=-0.44) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot -29:sc= 1.09 USER MOD Single : A 20 HIS : no HE2:sc= -0.0922 K(o=-0.092,f=-1) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -60:sc= 1.15 USER MOD Single : A 37 ASN : amide:sc= -1.48 K(o=-1.5,f=-5.9!) USER MOD Single : A 39 SER OG : rot -120:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 79:sc= -0.515 USER MOD Single : A 51 GLN : amide:sc= -0.665 K(o=-0.67,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 30:sc= -1.2 USER MOD Single : A 68 ASN : amide:sc= 0.0266 X(o=0.027,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 170:sc= 0.457 USER MOD Single : A 74 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00952) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -149:sc= -0.0193 USER MOD Single : A 81 SER OG : rot 180:sc= 0.002 USER MOD Single : A 84 SER OG : rot 180:sc=-0.00917 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 92 HIS : no HD1:sc= -2.32! K(o=-2.3!,f=-1.2) USER MOD Single : A 93 HIS : no HD1:sc= -2.06! K(o=-2.1!,f=-1) USER MOD Single : A 94 SER OG : rot 27:sc= 1.2 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N LYS A 15 -7.300 -0.797 -10.269 1.00 0.00 N ATOM 171 CA LYS A 15 -8.083 0.114 -11.095 1.00 0.00 C ATOM 172 C LYS A 15 -8.486 1.355 -10.306 1.00 0.00 C ATOM 173 O LYS A 15 -8.100 2.473 -10.648 1.00 0.00 O ATOM 174 CB LYS A 15 -9.331 -0.593 -11.627 1.00 0.00 C ATOM 175 CG LYS A 15 -9.059 -1.494 -12.820 1.00 0.00 C ATOM 176 CD LYS A 15 -8.745 -0.688 -14.067 1.00 0.00 C ATOM 177 CE LYS A 15 -10.015 -0.246 -14.780 1.00 0.00 C ATOM 178 NZ LYS A 15 -10.512 -1.286 -15.723 1.00 0.00 N ATOM 0 HA LYS A 15 -7.463 0.426 -11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.770 -1.188 -10.826 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.070 0.157 -11.910 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.223 -2.156 -12.594 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.927 -2.127 -13.004 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.155 0.188 -13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.136 -1.286 -14.744 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.787 -0.025 -14.043 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.822 0.677 -15.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.378 -0.947 -16.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.785 -1.479 -16.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.720 -2.159 -15.198 1.00 0.00 H new ATOM 192 N HIS A 16 -9.263 1.150 -9.247 1.00 0.00 N ATOM 193 CA HIS A 16 -9.717 2.253 -8.407 1.00 0.00 C ATOM 194 C HIS A 16 -8.650 3.339 -8.312 1.00 0.00 C ATOM 195 O HIS A 16 -7.455 3.046 -8.254 1.00 0.00 O ATOM 196 CB HIS A 16 -10.070 1.746 -7.009 1.00 0.00 C ATOM 197 CG HIS A 16 -10.894 0.495 -7.016 1.00 0.00 C ATOM 198 ND1 HIS A 16 -12.272 0.501 -7.072 1.00 0.00 N ATOM 199 CD2 HIS A 16 -10.527 -0.808 -6.977 1.00 0.00 C ATOM 200 CE1 HIS A 16 -12.717 -0.742 -7.064 1.00 0.00 C ATOM 201 NE2 HIS A 16 -11.678 -1.556 -7.007 1.00 0.00 N ATOM 0 H HIS A 16 -9.591 0.231 -8.950 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.608 2.682 -8.865 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -9.149 1.562 -6.455 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -10.613 2.526 -6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.517 -1.188 -6.931 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.754 -1.042 -7.098 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -11.723 -2.575 -6.988 1.00 0.00 H new ATOM 210 N SER A 17 -9.087 4.594 -8.299 1.00 0.00 N ATOM 211 CA SER A 17 -8.168 5.723 -8.215 1.00 0.00 C ATOM 212 C SER A 17 -7.493 5.774 -6.849 1.00 0.00 C ATOM 213 O SER A 17 -6.275 5.929 -6.752 1.00 0.00 O ATOM 214 CB SER A 17 -8.913 7.034 -8.478 1.00 0.00 C ATOM 215 OG SER A 17 -9.298 7.137 -9.839 1.00 0.00 O ATOM 0 H SER A 17 -10.072 4.855 -8.346 1.00 0.00 H new ATOM 0 HA SER A 17 -7.399 5.591 -8.976 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.796 7.088 -7.842 1.00 0.00 H new ATOM 0 HB3 SER A 17 -8.276 7.878 -8.212 1.00 0.00 H new ATOM 0 HG SER A 17 -9.774 7.982 -9.981 1.00 0.00 H new ATOM 221 N TRP A 18 -8.292 5.644 -5.796 1.00 0.00 N ATOM 222 CA TRP A 18 -7.772 5.676 -4.434 1.00 0.00 C ATOM 223 C TRP A 18 -6.879 4.469 -4.164 1.00 0.00 C ATOM 224 O TRP A 18 -5.811 4.597 -3.564 1.00 0.00 O ATOM 225 CB TRP A 18 -8.923 5.708 -3.427 1.00 0.00 C ATOM 226 CG TRP A 18 -10.138 4.965 -3.890 1.00 0.00 C ATOM 227 CD1 TRP A 18 -11.131 5.440 -4.698 1.00 0.00 C ATOM 228 CD2 TRP A 18 -10.490 3.613 -3.571 1.00 0.00 C ATOM 229 NE1 TRP A 18 -12.079 4.466 -4.901 1.00 0.00 N ATOM 230 CE2 TRP A 18 -11.709 3.336 -4.221 1.00 0.00 C ATOM 231 CE3 TRP A 18 -9.893 2.611 -2.802 1.00 0.00 C ATOM 232 CZ2 TRP A 18 -12.339 2.099 -4.122 1.00 0.00 C ATOM 233 CZ3 TRP A 18 -10.521 1.384 -2.704 1.00 0.00 C ATOM 234 CH2 TRP A 18 -11.732 1.136 -3.362 1.00 0.00 C ATOM 0 H TRP A 18 -9.302 5.516 -5.859 1.00 0.00 H new ATOM 0 HA TRP A 18 -7.174 6.580 -4.321 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.583 5.281 -2.484 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -9.194 6.745 -3.229 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -11.166 6.435 -5.116 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -12.922 4.568 -5.467 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -8.958 2.792 -2.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -13.274 1.906 -4.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -10.070 0.603 -2.110 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -12.196 0.165 -3.268 1.00 0.00 H new ATOM 245 N TYR A 19 -7.320 3.300 -4.611 1.00 0.00 N ATOM 246 CA TYR A 19 -6.561 2.070 -4.415 1.00 0.00 C ATOM 247 C TYR A 19 -5.172 2.183 -5.036 1.00 0.00 C ATOM 248 O TYR A 19 -5.031 2.491 -6.220 1.00 0.00 O ATOM 249 CB TYR A 19 -7.309 0.882 -5.023 1.00 0.00 C ATOM 250 CG TYR A 19 -6.776 -0.461 -4.578 1.00 0.00 C ATOM 251 CD1 TYR A 19 -6.839 -0.848 -3.245 1.00 0.00 C ATOM 252 CD2 TYR A 19 -6.210 -1.343 -5.490 1.00 0.00 C ATOM 253 CE1 TYR A 19 -6.353 -2.074 -2.834 1.00 0.00 C ATOM 254 CE2 TYR A 19 -5.722 -2.572 -5.088 1.00 0.00 C ATOM 255 CZ TYR A 19 -5.795 -2.932 -3.758 1.00 0.00 C ATOM 256 OH TYR A 19 -5.311 -4.155 -3.353 1.00 0.00 O ATOM 0 H TYR A 19 -8.200 3.177 -5.112 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.448 1.909 -3.343 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -8.363 0.952 -4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.251 0.945 -6.110 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.275 -0.179 -2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.150 -1.063 -6.531 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -6.410 -2.359 -1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.286 -3.246 -5.810 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.003 -4.094 -2.425 1.00 0.00 H new ATOM 266 N HIS A 20 -4.148 1.932 -4.227 1.00 0.00 N ATOM 267 CA HIS A 20 -2.768 2.003 -4.696 1.00 0.00 C ATOM 268 C HIS A 20 -1.987 0.762 -4.275 1.00 0.00 C ATOM 269 O HIS A 20 -0.824 0.851 -3.884 1.00 0.00 O ATOM 270 CB HIS A 20 -2.087 3.259 -4.150 1.00 0.00 C ATOM 271 CG HIS A 20 -2.259 4.463 -5.023 1.00 0.00 C ATOM 272 ND1 HIS A 20 -1.208 5.261 -5.421 1.00 0.00 N ATOM 273 CD2 HIS A 20 -3.370 5.002 -5.578 1.00 0.00 C ATOM 274 CE1 HIS A 20 -1.665 6.239 -6.181 1.00 0.00 C ATOM 275 NE2 HIS A 20 -2.974 6.105 -6.292 1.00 0.00 N ATOM 0 H HIS A 20 -4.247 1.678 -3.244 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.781 2.050 -5.785 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.488 3.478 -3.160 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -1.023 3.060 -4.026 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.230 5.118 -5.168 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -4.380 4.633 -5.478 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -1.069 7.017 -6.635 1.00 0.00 H new ATOM 284 N GLY A 21 -2.635 -0.396 -4.360 1.00 0.00 N ATOM 285 CA GLY A 21 -1.984 -1.638 -3.984 1.00 0.00 C ATOM 286 C GLY A 21 -1.161 -1.503 -2.718 1.00 0.00 C ATOM 287 O GLY A 21 -1.434 -0.660 -1.863 1.00 0.00 O ATOM 0 H GLY A 21 -3.598 -0.496 -4.682 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.739 -2.411 -3.842 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.339 -1.968 -4.799 1.00 0.00 H new ATOM 291 N PRO A 22 -0.128 -2.348 -2.587 1.00 0.00 N ATOM 292 CA PRO A 22 0.758 -2.339 -1.419 1.00 0.00 C ATOM 293 C PRO A 22 1.640 -1.097 -1.371 1.00 0.00 C ATOM 294 O PRO A 22 2.395 -0.822 -2.304 1.00 0.00 O ATOM 295 CB PRO A 22 1.611 -3.595 -1.611 1.00 0.00 C ATOM 296 CG PRO A 22 1.601 -3.839 -3.081 1.00 0.00 C ATOM 297 CD PRO A 22 0.255 -3.377 -3.568 1.00 0.00 C ATOM 0 HA PRO A 22 0.199 -2.326 -0.483 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.625 -3.445 -1.242 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.196 -4.443 -1.066 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.404 -3.290 -3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.755 -4.895 -3.302 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.311 -2.969 -4.577 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.465 -4.195 -3.594 1.00 0.00 H new ATOM 305 N VAL A 23 1.543 -0.348 -0.277 1.00 0.00 N ATOM 306 CA VAL A 23 2.334 0.864 -0.106 1.00 0.00 C ATOM 307 C VAL A 23 2.829 1.000 1.329 1.00 0.00 C ATOM 308 O VAL A 23 2.046 0.936 2.276 1.00 0.00 O ATOM 309 CB VAL A 23 1.525 2.120 -0.479 1.00 0.00 C ATOM 310 CG1 VAL A 23 2.335 3.378 -0.207 1.00 0.00 C ATOM 311 CG2 VAL A 23 1.090 2.060 -1.935 1.00 0.00 C ATOM 0 H VAL A 23 0.923 -0.560 0.505 1.00 0.00 H new ATOM 0 HA VAL A 23 3.190 0.780 -0.776 1.00 0.00 H new ATOM 0 HB VAL A 23 0.630 2.152 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.747 4.255 -0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.591 3.424 0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.249 3.358 -0.801 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.519 2.955 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.970 2.003 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.468 1.179 -2.093 1.00 0.00 H new ATOM 321 N SER A 24 4.136 1.188 1.483 1.00 0.00 N ATOM 322 CA SER A 24 4.738 1.329 2.804 1.00 0.00 C ATOM 323 C SER A 24 4.109 2.492 3.565 1.00 0.00 C ATOM 324 O SER A 24 3.820 3.541 2.990 1.00 0.00 O ATOM 325 CB SER A 24 6.248 1.543 2.679 1.00 0.00 C ATOM 326 OG SER A 24 6.894 0.366 2.228 1.00 0.00 O ATOM 0 H SER A 24 4.798 1.246 0.709 1.00 0.00 H new ATOM 0 HA SER A 24 4.554 0.410 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.446 2.359 1.985 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.658 1.839 3.645 1.00 0.00 H new ATOM 0 HG SER A 24 7.858 0.529 2.155 1.00 0.00 H new ATOM 332 N ARG A 25 3.901 2.298 4.864 1.00 0.00 N ATOM 333 CA ARG A 25 3.306 3.329 5.705 1.00 0.00 C ATOM 334 C ARG A 25 3.857 4.706 5.348 1.00 0.00 C ATOM 335 O ARG A 25 3.099 5.654 5.139 1.00 0.00 O ATOM 336 CB ARG A 25 3.570 3.029 7.181 1.00 0.00 C ATOM 337 CG ARG A 25 2.889 3.999 8.132 1.00 0.00 C ATOM 338 CD ARG A 25 3.782 5.190 8.446 1.00 0.00 C ATOM 339 NE ARG A 25 4.824 4.854 9.413 1.00 0.00 N ATOM 340 CZ ARG A 25 4.619 4.802 10.724 1.00 0.00 C ATOM 341 NH1 ARG A 25 3.418 5.062 11.223 1.00 0.00 N ATOM 342 NH2 ARG A 25 5.617 4.488 11.540 1.00 0.00 N ATOM 0 H ARG A 25 4.136 1.436 5.356 1.00 0.00 H new ATOM 0 HA ARG A 25 2.230 3.330 5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.231 2.017 7.403 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.645 3.052 7.361 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.956 4.349 7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.630 3.483 9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.244 5.549 7.526 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.174 6.006 8.837 1.00 0.00 H new ATOM 0 HE ARG A 25 5.759 4.648 9.062 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.648 5.303 10.599 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.265 5.021 12.231 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.542 4.286 11.160 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.459 4.448 12.547 1.00 0.00 H new ATOM 356 N SER A 26 5.180 4.810 5.281 1.00 0.00 N ATOM 357 CA SER A 26 5.832 6.072 4.955 1.00 0.00 C ATOM 358 C SER A 26 5.451 6.533 3.551 1.00 0.00 C ATOM 359 O SER A 26 5.060 7.682 3.347 1.00 0.00 O ATOM 360 CB SER A 26 7.352 5.929 5.062 1.00 0.00 C ATOM 361 OG SER A 26 8.002 7.152 4.767 1.00 0.00 O ATOM 0 H SER A 26 5.822 4.035 5.448 1.00 0.00 H new ATOM 0 HA SER A 26 5.494 6.822 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.620 5.605 6.068 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.697 5.156 4.375 1.00 0.00 H new ATOM 0 HG SER A 26 8.972 7.034 4.844 1.00 0.00 H new ATOM 367 N ALA A 27 5.571 5.628 2.585 1.00 0.00 N ATOM 368 CA ALA A 27 5.238 5.939 1.200 1.00 0.00 C ATOM 369 C ALA A 27 3.928 6.716 1.112 1.00 0.00 C ATOM 370 O ALA A 27 3.832 7.708 0.390 1.00 0.00 O ATOM 371 CB ALA A 27 5.153 4.662 0.378 1.00 0.00 C ATOM 0 H ALA A 27 5.896 4.673 2.736 1.00 0.00 H new ATOM 0 HA ALA A 27 6.031 6.567 0.794 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.904 4.909 -0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.113 4.147 0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.381 4.013 0.792 1.00 0.00 H new ATOM 377 N ALA A 28 2.923 6.258 1.850 1.00 0.00 N ATOM 378 CA ALA A 28 1.620 6.911 1.857 1.00 0.00 C ATOM 379 C ALA A 28 1.732 8.356 2.329 1.00 0.00 C ATOM 380 O ALA A 28 1.381 9.285 1.602 1.00 0.00 O ATOM 381 CB ALA A 28 0.647 6.140 2.736 1.00 0.00 C ATOM 0 H ALA A 28 2.986 5.437 2.451 1.00 0.00 H new ATOM 0 HA ALA A 28 1.241 6.919 0.835 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.322 6.640 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.534 5.126 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.030 6.101 3.756 1.00 0.00 H new ATOM 387 N GLU A 29 2.224 8.539 3.550 1.00 0.00 N ATOM 388 CA GLU A 29 2.381 9.873 4.119 1.00 0.00 C ATOM 389 C GLU A 29 3.145 10.785 3.164 1.00 0.00 C ATOM 390 O GLU A 29 2.714 11.903 2.878 1.00 0.00 O ATOM 391 CB GLU A 29 3.110 9.797 5.462 1.00 0.00 C ATOM 392 CG GLU A 29 2.219 9.368 6.615 1.00 0.00 C ATOM 393 CD GLU A 29 2.909 9.484 7.960 1.00 0.00 C ATOM 394 OE1 GLU A 29 3.036 8.452 8.652 1.00 0.00 O ATOM 395 OE2 GLU A 29 3.323 10.605 8.320 1.00 0.00 O ATOM 0 H GLU A 29 2.521 7.781 4.164 1.00 0.00 H new ATOM 0 HA GLU A 29 1.387 10.292 4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.941 9.096 5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.539 10.773 5.689 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.317 9.980 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.903 8.336 6.461 1.00 0.00 H new ATOM 403 N TYR A 30 4.280 10.300 2.673 1.00 0.00 N ATOM 404 CA TYR A 30 5.106 11.072 1.752 1.00 0.00 C ATOM 405 C TYR A 30 4.314 11.464 0.508 1.00 0.00 C ATOM 406 O TYR A 30 4.061 12.645 0.265 1.00 0.00 O ATOM 407 CB TYR A 30 6.344 10.270 1.349 1.00 0.00 C ATOM 408 CG TYR A 30 7.069 10.836 0.150 1.00 0.00 C ATOM 409 CD1 TYR A 30 7.527 12.147 0.145 1.00 0.00 C ATOM 410 CD2 TYR A 30 7.297 10.058 -0.979 1.00 0.00 C ATOM 411 CE1 TYR A 30 8.189 12.669 -0.949 1.00 0.00 C ATOM 412 CE2 TYR A 30 7.960 10.572 -2.078 1.00 0.00 C ATOM 413 CZ TYR A 30 8.404 11.877 -2.058 1.00 0.00 C ATOM 414 OH TYR A 30 9.064 12.393 -3.150 1.00 0.00 O ATOM 0 H TYR A 30 4.649 9.376 2.897 1.00 0.00 H new ATOM 0 HA TYR A 30 5.421 11.982 2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.032 10.231 2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 30 6.047 9.244 1.132 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.363 12.770 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.951 9.035 -0.998 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.536 13.692 -0.936 1.00 0.00 H new ATOM 0 HE2 TYR A 30 8.129 9.954 -2.948 1.00 0.00 H new ATOM 0 HH TYR A 30 9.134 11.706 -3.845 1.00 0.00 H new ATOM 424 N LEU A 31 3.925 10.466 -0.277 1.00 0.00 N ATOM 425 CA LEU A 31 3.161 10.705 -1.496 1.00 0.00 C ATOM 426 C LEU A 31 2.077 11.752 -1.264 1.00 0.00 C ATOM 427 O LEU A 31 1.901 12.669 -2.067 1.00 0.00 O ATOM 428 CB LEU A 31 2.529 9.401 -1.989 1.00 0.00 C ATOM 429 CG LEU A 31 2.218 9.330 -3.485 1.00 0.00 C ATOM 430 CD1 LEU A 31 2.046 7.885 -3.926 1.00 0.00 C ATOM 431 CD2 LEU A 31 0.972 10.141 -3.810 1.00 0.00 C ATOM 0 H LEU A 31 4.126 9.483 -0.091 1.00 0.00 H new ATOM 0 HA LEU A 31 3.846 11.081 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.199 8.578 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.603 9.238 -1.438 1.00 0.00 H new ATOM 0 HG LEU A 31 3.058 9.758 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.825 7.854 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.965 7.333 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.224 7.431 -3.372 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.766 10.079 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.124 9.743 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.133 11.182 -3.531 1.00 0.00 H new ATOM 443 N LEU A 32 1.352 11.612 -0.160 1.00 0.00 N ATOM 444 CA LEU A 32 0.287 12.547 0.181 1.00 0.00 C ATOM 445 C LEU A 32 0.787 13.986 0.126 1.00 0.00 C ATOM 446 O LEU A 32 0.064 14.890 -0.294 1.00 0.00 O ATOM 447 CB LEU A 32 -0.263 12.239 1.575 1.00 0.00 C ATOM 448 CG LEU A 32 -1.299 11.118 1.656 1.00 0.00 C ATOM 449 CD1 LEU A 32 -1.483 10.664 3.096 1.00 0.00 C ATOM 450 CD2 LEU A 32 -2.625 11.573 1.065 1.00 0.00 C ATOM 0 H LEU A 32 1.483 10.859 0.515 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.512 12.431 -0.552 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.573 11.981 2.225 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.710 13.149 1.976 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.936 10.271 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.224 9.866 3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.534 10.297 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.823 11.504 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.350 10.762 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.994 12.436 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.482 11.848 0.020 1.00 0.00 H new ATOM 462 N SER A 33 2.029 14.193 0.552 1.00 0.00 N ATOM 463 CA SER A 33 2.627 15.523 0.553 1.00 0.00 C ATOM 464 C SER A 33 2.600 16.131 -0.847 1.00 0.00 C ATOM 465 O SER A 33 2.605 17.352 -1.005 1.00 0.00 O ATOM 466 CB SER A 33 4.067 15.458 1.065 1.00 0.00 C ATOM 467 OG SER A 33 4.683 16.734 1.018 1.00 0.00 O ATOM 0 H SER A 33 2.641 13.456 0.901 1.00 0.00 H new ATOM 0 HA SER A 33 2.041 16.157 1.218 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.076 15.084 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.639 14.752 0.463 1.00 0.00 H new ATOM 0 HG SER A 33 5.602 16.666 1.352 1.00 0.00 H new ATOM 473 N SER A 34 2.571 15.270 -1.859 1.00 0.00 N ATOM 474 CA SER A 34 2.548 15.720 -3.246 1.00 0.00 C ATOM 475 C SER A 34 1.113 15.886 -3.738 1.00 0.00 C ATOM 476 O SER A 34 0.811 15.627 -4.904 1.00 0.00 O ATOM 477 CB SER A 34 3.295 14.729 -4.139 1.00 0.00 C ATOM 478 OG SER A 34 3.230 15.119 -5.500 1.00 0.00 O ATOM 0 H SER A 34 2.563 14.256 -1.744 1.00 0.00 H new ATOM 0 HA SER A 34 3.046 16.688 -3.297 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.337 14.666 -3.825 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.866 13.734 -4.022 1.00 0.00 H new ATOM 0 HG SER A 34 2.294 15.150 -5.787 1.00 0.00 H new ATOM 484 N LEU A 35 0.233 16.319 -2.843 1.00 0.00 N ATOM 485 CA LEU A 35 -1.172 16.520 -3.185 1.00 0.00 C ATOM 486 C LEU A 35 -1.794 17.606 -2.314 1.00 0.00 C ATOM 487 O LEU A 35 -1.163 18.106 -1.382 1.00 0.00 O ATOM 488 CB LEU A 35 -1.948 15.212 -3.023 1.00 0.00 C ATOM 489 CG LEU A 35 -1.429 14.019 -3.826 1.00 0.00 C ATOM 490 CD1 LEU A 35 -1.971 12.717 -3.258 1.00 0.00 C ATOM 491 CD2 LEU A 35 -1.805 14.160 -5.294 1.00 0.00 C ATOM 0 H LEU A 35 0.466 16.538 -1.875 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.226 16.840 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.948 14.941 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.985 15.391 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.342 14.000 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.591 11.879 -3.842 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.651 12.611 -2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.060 12.726 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.427 13.302 -5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.890 14.205 -5.389 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.367 15.074 -5.696 1.00 0.00 H new ATOM 503 N ILE A 36 -3.036 17.965 -2.621 1.00 0.00 N ATOM 504 CA ILE A 36 -3.745 18.988 -1.864 1.00 0.00 C ATOM 505 C ILE A 36 -4.108 18.488 -0.470 1.00 0.00 C ATOM 506 O ILE A 36 -3.860 17.332 -0.130 1.00 0.00 O ATOM 507 CB ILE A 36 -5.029 19.436 -2.587 1.00 0.00 C ATOM 508 CG1 ILE A 36 -5.999 18.261 -2.724 1.00 0.00 C ATOM 509 CG2 ILE A 36 -4.693 20.013 -3.954 1.00 0.00 C ATOM 510 CD1 ILE A 36 -7.369 18.665 -3.222 1.00 0.00 C ATOM 0 H ILE A 36 -3.572 17.562 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.071 19.840 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.510 20.214 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.574 17.527 -3.409 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.103 17.771 -1.756 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.611 20.325 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.035 20.873 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.193 19.255 -4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.004 17.782 -3.295 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.814 19.376 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.277 19.128 -4.204 1.00 0.00 H new ATOM 522 N ASN A 37 -4.700 19.367 0.332 1.00 0.00 N ATOM 523 CA ASN A 37 -5.100 19.014 1.690 1.00 0.00 C ATOM 524 C ASN A 37 -6.470 18.345 1.697 1.00 0.00 C ATOM 525 O ASN A 37 -7.317 18.649 2.536 1.00 0.00 O ATOM 526 CB ASN A 37 -5.125 20.262 2.577 1.00 0.00 C ATOM 527 CG ASN A 37 -6.148 21.280 2.114 1.00 0.00 C ATOM 528 OD1 ASN A 37 -7.075 20.952 1.373 1.00 0.00 O ATOM 529 ND2 ASN A 37 -5.985 22.524 2.551 1.00 0.00 N ATOM 0 H ASN A 37 -4.913 20.328 0.066 1.00 0.00 H new ATOM 0 HA ASN A 37 -4.369 18.309 2.086 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.346 19.970 3.604 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.136 20.721 2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.643 23.252 2.274 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -5.202 22.751 3.164 1.00 0.00 H new ATOM 536 N GLY A 38 -6.681 17.430 0.755 1.00 0.00 N ATOM 537 CA GLY A 38 -7.950 16.730 0.671 1.00 0.00 C ATOM 538 C GLY A 38 -7.866 15.477 -0.177 1.00 0.00 C ATOM 539 O GLY A 38 -8.784 15.172 -0.938 1.00 0.00 O ATOM 0 H GLY A 38 -5.996 17.161 0.049 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.282 16.464 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.703 17.398 0.253 1.00 0.00 H new ATOM 543 N SER A 39 -6.760 14.750 -0.047 1.00 0.00 N ATOM 544 CA SER A 39 -6.558 13.525 -0.813 1.00 0.00 C ATOM 545 C SER A 39 -6.605 12.301 0.097 1.00 0.00 C ATOM 546 O SER A 39 -6.124 12.337 1.231 1.00 0.00 O ATOM 547 CB SER A 39 -5.218 13.576 -1.549 1.00 0.00 C ATOM 548 OG SER A 39 -5.359 14.179 -2.824 1.00 0.00 O ATOM 0 H SER A 39 -5.992 14.988 0.580 1.00 0.00 H new ATOM 0 HA SER A 39 -7.364 13.444 -1.543 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.495 14.136 -0.956 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.823 12.566 -1.662 1.00 0.00 H new ATOM 0 HG SER A 39 -5.088 13.543 -3.519 1.00 0.00 H new ATOM 554 N PHE A 40 -7.188 11.219 -0.407 1.00 0.00 N ATOM 555 CA PHE A 40 -7.301 9.984 0.360 1.00 0.00 C ATOM 556 C PHE A 40 -6.853 8.786 -0.472 1.00 0.00 C ATOM 557 O PHE A 40 -7.323 8.582 -1.593 1.00 0.00 O ATOM 558 CB PHE A 40 -8.742 9.781 0.833 1.00 0.00 C ATOM 559 CG PHE A 40 -9.592 9.021 -0.145 1.00 0.00 C ATOM 560 CD1 PHE A 40 -10.283 9.686 -1.145 1.00 0.00 C ATOM 561 CD2 PHE A 40 -9.700 7.643 -0.065 1.00 0.00 C ATOM 562 CE1 PHE A 40 -11.067 8.991 -2.045 1.00 0.00 C ATOM 563 CE2 PHE A 40 -10.482 6.941 -0.962 1.00 0.00 C ATOM 564 CZ PHE A 40 -11.165 7.616 -1.955 1.00 0.00 C ATOM 0 H PHE A 40 -7.590 11.172 -1.343 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.650 10.065 1.230 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.732 9.249 1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.196 10.755 1.017 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.208 10.761 -1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.166 7.110 0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -11.603 9.522 -2.818 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.559 5.866 -0.887 1.00 0.00 H new ATOM 0 HZ PHE A 40 -11.774 7.070 -2.660 1.00 0.00 H new ATOM 574 N LEU A 41 -5.941 7.995 0.084 1.00 0.00 N ATOM 575 CA LEU A 41 -5.428 6.816 -0.606 1.00 0.00 C ATOM 576 C LEU A 41 -5.625 5.562 0.239 1.00 0.00 C ATOM 577 O LEU A 41 -5.815 5.642 1.453 1.00 0.00 O ATOM 578 CB LEU A 41 -3.944 6.996 -0.932 1.00 0.00 C ATOM 579 CG LEU A 41 -2.973 6.804 0.233 1.00 0.00 C ATOM 580 CD1 LEU A 41 -2.540 5.351 0.334 1.00 0.00 C ATOM 581 CD2 LEU A 41 -1.764 7.714 0.074 1.00 0.00 C ATOM 0 H LEU A 41 -5.542 8.149 1.010 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.986 6.698 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.678 6.292 -1.720 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.800 7.998 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.486 7.072 1.157 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.849 5.234 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.415 4.721 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.045 5.054 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.083 7.564 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.250 7.477 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.091 8.754 0.054 1.00 0.00 H new ATOM 593 N VAL A 42 -5.578 4.403 -0.410 1.00 0.00 N ATOM 594 CA VAL A 42 -5.749 3.131 0.282 1.00 0.00 C ATOM 595 C VAL A 42 -4.526 2.240 0.103 1.00 0.00 C ATOM 596 O VAL A 42 -4.335 1.635 -0.953 1.00 0.00 O ATOM 597 CB VAL A 42 -6.996 2.381 -0.223 1.00 0.00 C ATOM 598 CG1 VAL A 42 -7.107 1.019 0.448 1.00 0.00 C ATOM 599 CG2 VAL A 42 -8.250 3.207 0.020 1.00 0.00 C ATOM 0 H VAL A 42 -5.423 4.319 -1.415 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.876 3.360 1.340 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.895 2.225 -1.297 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.994 0.503 0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.221 0.427 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -7.186 1.150 1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.121 2.661 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.360 3.396 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.169 4.156 -0.510 1.00 0.00 H new ATOM 609 N ARG A 43 -3.699 2.162 1.141 1.00 0.00 N ATOM 610 CA ARG A 43 -2.493 1.344 1.097 1.00 0.00 C ATOM 611 C ARG A 43 -2.758 -0.045 1.670 1.00 0.00 C ATOM 612 O ARG A 43 -3.730 -0.253 2.395 1.00 0.00 O ATOM 613 CB ARG A 43 -1.364 2.022 1.877 1.00 0.00 C ATOM 614 CG ARG A 43 -1.711 2.305 3.329 1.00 0.00 C ATOM 615 CD ARG A 43 -0.607 3.086 4.023 1.00 0.00 C ATOM 616 NE ARG A 43 -0.805 3.148 5.469 1.00 0.00 N ATOM 617 CZ ARG A 43 -0.686 2.098 6.273 1.00 0.00 C ATOM 618 NH1 ARG A 43 -0.368 0.911 5.775 1.00 0.00 N ATOM 619 NH2 ARG A 43 -0.882 2.234 7.579 1.00 0.00 N ATOM 0 H ARG A 43 -3.842 2.655 2.022 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.193 1.237 0.054 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.478 1.389 1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.106 2.960 1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.643 2.868 3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.878 1.365 3.854 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.355 2.621 3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.570 4.098 3.619 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.048 4.048 5.884 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.214 0.803 4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.277 0.106 6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.124 3.146 7.966 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.790 1.426 8.195 1.00 0.00 H new ATOM 633 N GLU A 44 -1.887 -0.992 1.338 1.00 0.00 N ATOM 634 CA GLU A 44 -2.028 -2.362 1.817 1.00 0.00 C ATOM 635 C GLU A 44 -0.709 -2.878 2.387 1.00 0.00 C ATOM 636 O GLU A 44 0.333 -2.803 1.735 1.00 0.00 O ATOM 637 CB GLU A 44 -2.499 -3.277 0.685 1.00 0.00 C ATOM 638 CG GLU A 44 -3.168 -4.551 1.171 1.00 0.00 C ATOM 639 CD GLU A 44 -3.720 -5.391 0.034 1.00 0.00 C ATOM 640 OE1 GLU A 44 -4.278 -4.806 -0.917 1.00 0.00 O ATOM 641 OE2 GLU A 44 -3.594 -6.631 0.097 1.00 0.00 O ATOM 0 H GLU A 44 -1.076 -0.836 0.739 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.774 -2.366 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.197 -2.729 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.644 -3.540 0.062 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.448 -5.142 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.978 -4.294 1.854 1.00 0.00 H new ATOM 649 N SER A 45 -0.762 -3.402 3.607 1.00 0.00 N ATOM 650 CA SER A 45 0.428 -3.926 4.267 1.00 0.00 C ATOM 651 C SER A 45 0.757 -5.326 3.759 1.00 0.00 C ATOM 652 O SER A 45 -0.125 -6.062 3.320 1.00 0.00 O ATOM 653 CB SER A 45 0.225 -3.955 5.783 1.00 0.00 C ATOM 654 OG SER A 45 1.424 -4.308 6.451 1.00 0.00 O ATOM 0 H SER A 45 -1.617 -3.475 4.159 1.00 0.00 H new ATOM 0 HA SER A 45 1.264 -3.267 4.033 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.112 -2.977 6.127 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.559 -4.669 6.035 1.00 0.00 H new ATOM 0 HG SER A 45 1.269 -4.318 7.419 1.00 0.00 H new ATOM 660 N GLU A 46 2.035 -5.687 3.825 1.00 0.00 N ATOM 661 CA GLU A 46 2.482 -6.999 3.371 1.00 0.00 C ATOM 662 C GLU A 46 2.471 -8.004 4.519 1.00 0.00 C ATOM 663 O GLU A 46 1.870 -9.073 4.415 1.00 0.00 O ATOM 664 CB GLU A 46 3.888 -6.905 2.774 1.00 0.00 C ATOM 665 CG GLU A 46 4.159 -7.936 1.691 1.00 0.00 C ATOM 666 CD GLU A 46 5.641 -8.174 1.471 1.00 0.00 C ATOM 667 OE1 GLU A 46 6.049 -8.323 0.300 1.00 0.00 O ATOM 668 OE2 GLU A 46 6.391 -8.213 2.469 1.00 0.00 O ATOM 0 H GLU A 46 2.778 -5.090 4.188 1.00 0.00 H new ATOM 0 HA GLU A 46 1.791 -7.344 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.031 -5.908 2.358 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.621 -7.027 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.680 -8.877 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.705 -7.605 0.757 1.00 0.00 H new ATOM 676 N SER A 47 3.141 -7.652 5.612 1.00 0.00 N ATOM 677 CA SER A 47 3.213 -8.525 6.778 1.00 0.00 C ATOM 678 C SER A 47 1.866 -9.190 7.043 1.00 0.00 C ATOM 679 O SER A 47 1.703 -10.393 6.834 1.00 0.00 O ATOM 680 CB SER A 47 3.652 -7.730 8.010 1.00 0.00 C ATOM 681 OG SER A 47 4.933 -7.157 7.816 1.00 0.00 O ATOM 0 H SER A 47 3.641 -6.769 5.714 1.00 0.00 H new ATOM 0 HA SER A 47 3.949 -9.303 6.574 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.926 -6.944 8.217 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.671 -8.384 8.881 1.00 0.00 H new ATOM 0 HG SER A 47 5.190 -6.653 8.616 1.00 0.00 H new ATOM 687 N SER A 48 0.902 -8.399 7.502 1.00 0.00 N ATOM 688 CA SER A 48 -0.431 -8.911 7.800 1.00 0.00 C ATOM 689 C SER A 48 -1.144 -9.345 6.522 1.00 0.00 C ATOM 690 O SER A 48 -1.049 -8.699 5.478 1.00 0.00 O ATOM 691 CB SER A 48 -1.259 -7.848 8.523 1.00 0.00 C ATOM 692 OG SER A 48 -2.489 -8.384 8.981 1.00 0.00 O ATOM 0 H SER A 48 1.019 -7.401 7.676 1.00 0.00 H new ATOM 0 HA SER A 48 -0.323 -9.780 8.449 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.693 -7.454 9.367 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.451 -7.012 7.850 1.00 0.00 H new ATOM 0 HG SER A 48 -2.337 -8.895 9.803 1.00 0.00 H new ATOM 698 N PRO A 49 -1.876 -10.466 6.605 1.00 0.00 N ATOM 699 CA PRO A 49 -2.619 -11.011 5.466 1.00 0.00 C ATOM 700 C PRO A 49 -3.813 -10.144 5.084 1.00 0.00 C ATOM 701 O PRO A 49 -4.809 -10.087 5.805 1.00 0.00 O ATOM 702 CB PRO A 49 -3.091 -12.377 5.971 1.00 0.00 C ATOM 703 CG PRO A 49 -3.141 -12.236 7.453 1.00 0.00 C ATOM 704 CD PRO A 49 -2.033 -11.287 7.817 1.00 0.00 C ATOM 0 HA PRO A 49 -2.005 -11.062 4.567 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.069 -12.633 5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.404 -13.169 5.672 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.108 -11.849 7.776 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.005 -13.201 7.942 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.293 -10.679 8.683 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.114 -11.818 8.065 1.00 0.00 H new ATOM 712 N GLY A 50 -3.708 -9.468 3.944 1.00 0.00 N ATOM 713 CA GLY A 50 -4.787 -8.611 3.486 1.00 0.00 C ATOM 714 C GLY A 50 -5.135 -7.530 4.489 1.00 0.00 C ATOM 715 O GLY A 50 -6.231 -7.523 5.047 1.00 0.00 O ATOM 0 H GLY A 50 -2.895 -9.498 3.329 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.503 -8.148 2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.671 -9.218 3.290 1.00 0.00 H new ATOM 719 N GLN A 51 -4.197 -6.616 4.720 1.00 0.00 N ATOM 720 CA GLN A 51 -4.410 -5.527 5.666 1.00 0.00 C ATOM 721 C GLN A 51 -4.484 -4.186 4.943 1.00 0.00 C ATOM 722 O GLN A 51 -3.467 -3.649 4.503 1.00 0.00 O ATOM 723 CB GLN A 51 -3.287 -5.499 6.704 1.00 0.00 C ATOM 724 CG GLN A 51 -2.958 -4.101 7.206 1.00 0.00 C ATOM 725 CD GLN A 51 -2.487 -4.094 8.647 1.00 0.00 C ATOM 726 OE1 GLN A 51 -3.270 -4.327 9.569 1.00 0.00 O ATOM 727 NE2 GLN A 51 -1.202 -3.828 8.849 1.00 0.00 N ATOM 0 H GLN A 51 -3.284 -6.608 4.266 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.359 -5.699 6.173 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.571 -6.123 7.551 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.390 -5.941 6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.185 -3.664 6.573 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.841 -3.469 7.113 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.589 -3.641 8.055 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -0.828 -3.811 9.798 1.00 0.00 H new ATOM 736 N LEU A 52 -5.693 -3.650 4.823 1.00 0.00 N ATOM 737 CA LEU A 52 -5.901 -2.371 4.153 1.00 0.00 C ATOM 738 C LEU A 52 -5.986 -1.233 5.166 1.00 0.00 C ATOM 739 O LEU A 52 -6.086 -1.467 6.371 1.00 0.00 O ATOM 740 CB LEU A 52 -7.178 -2.416 3.312 1.00 0.00 C ATOM 741 CG LEU A 52 -7.107 -3.243 2.028 1.00 0.00 C ATOM 742 CD1 LEU A 52 -8.478 -3.339 1.378 1.00 0.00 C ATOM 743 CD2 LEU A 52 -6.097 -2.642 1.062 1.00 0.00 C ATOM 0 H LEU A 52 -6.545 -4.081 5.181 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.048 -2.188 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.983 -2.812 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.451 -1.394 3.048 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.779 -4.250 2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.407 -3.931 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.175 -3.816 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.836 -2.339 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.060 -3.244 0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.395 -1.624 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.112 -2.627 1.528 1.00 0.00 H new ATOM 755 N SER A 53 -5.946 -0.001 4.669 1.00 0.00 N ATOM 756 CA SER A 53 -6.016 1.174 5.530 1.00 0.00 C ATOM 757 C SER A 53 -6.227 2.440 4.706 1.00 0.00 C ATOM 758 O SER A 53 -5.591 2.630 3.668 1.00 0.00 O ATOM 759 CB SER A 53 -4.738 1.299 6.362 1.00 0.00 C ATOM 760 OG SER A 53 -4.778 2.451 7.186 1.00 0.00 O ATOM 0 H SER A 53 -5.865 0.210 3.674 1.00 0.00 H new ATOM 0 HA SER A 53 -6.867 1.053 6.200 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.614 0.410 6.980 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.873 1.351 5.701 1.00 0.00 H new ATOM 0 HG SER A 53 -3.951 2.508 7.709 1.00 0.00 H new ATOM 766 N ILE A 54 -7.122 3.302 5.175 1.00 0.00 N ATOM 767 CA ILE A 54 -7.416 4.551 4.483 1.00 0.00 C ATOM 768 C ILE A 54 -6.754 5.734 5.180 1.00 0.00 C ATOM 769 O ILE A 54 -7.184 6.154 6.254 1.00 0.00 O ATOM 770 CB ILE A 54 -8.932 4.802 4.395 1.00 0.00 C ATOM 771 CG1 ILE A 54 -9.605 3.713 3.557 1.00 0.00 C ATOM 772 CG2 ILE A 54 -9.208 6.177 3.806 1.00 0.00 C ATOM 773 CD1 ILE A 54 -11.046 3.459 3.940 1.00 0.00 C ATOM 0 H ILE A 54 -7.657 3.159 6.032 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.014 4.456 3.474 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.349 4.769 5.402 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.562 3.997 2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.041 2.786 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.284 6.340 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.758 6.941 4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.780 6.237 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.459 2.675 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.095 3.145 4.982 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.624 4.374 3.809 1.00 0.00 H new ATOM 785 N SER A 55 -5.708 6.269 4.560 1.00 0.00 N ATOM 786 CA SER A 55 -4.985 7.405 5.122 1.00 0.00 C ATOM 787 C SER A 55 -5.143 8.640 4.240 1.00 0.00 C ATOM 788 O SER A 55 -4.509 8.754 3.191 1.00 0.00 O ATOM 789 CB SER A 55 -3.502 7.065 5.279 1.00 0.00 C ATOM 790 OG SER A 55 -3.268 6.345 6.478 1.00 0.00 O ATOM 0 H SER A 55 -5.342 5.935 3.669 1.00 0.00 H new ATOM 0 HA SER A 55 -5.407 7.623 6.103 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.169 6.475 4.426 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.914 7.982 5.281 1.00 0.00 H new ATOM 0 HG SER A 55 -2.501 5.747 6.356 1.00 0.00 H new ATOM 796 N LEU A 56 -5.995 9.563 4.674 1.00 0.00 N ATOM 797 CA LEU A 56 -6.239 10.791 3.925 1.00 0.00 C ATOM 798 C LEU A 56 -5.566 11.982 4.599 1.00 0.00 C ATOM 799 O LEU A 56 -5.636 12.140 5.818 1.00 0.00 O ATOM 800 CB LEU A 56 -7.742 11.044 3.798 1.00 0.00 C ATOM 801 CG LEU A 56 -8.367 11.927 4.880 1.00 0.00 C ATOM 802 CD1 LEU A 56 -7.959 13.379 4.687 1.00 0.00 C ATOM 803 CD2 LEU A 56 -9.883 11.790 4.870 1.00 0.00 C ATOM 0 H LEU A 56 -6.528 9.484 5.540 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.812 10.672 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.932 11.503 2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.254 10.082 3.802 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.999 11.595 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.413 13.991 5.466 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.874 13.463 4.746 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.297 13.725 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.311 12.425 5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.269 12.095 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.156 10.752 5.059 1.00 0.00 H new ATOM 815 N ARG A 57 -4.914 12.818 3.797 1.00 0.00 N ATOM 816 CA ARG A 57 -4.229 13.995 4.316 1.00 0.00 C ATOM 817 C ARG A 57 -5.207 15.149 4.517 1.00 0.00 C ATOM 818 O ARG A 57 -6.100 15.370 3.698 1.00 0.00 O ATOM 819 CB ARG A 57 -3.109 14.421 3.365 1.00 0.00 C ATOM 820 CG ARG A 57 -2.414 15.708 3.780 1.00 0.00 C ATOM 821 CD ARG A 57 -1.249 15.433 4.720 1.00 0.00 C ATOM 822 NE ARG A 57 -0.267 16.512 4.703 1.00 0.00 N ATOM 823 CZ ARG A 57 0.928 16.428 5.279 1.00 0.00 C ATOM 824 NH1 ARG A 57 1.284 15.320 5.914 1.00 0.00 N ATOM 825 NH2 ARG A 57 1.767 17.454 5.221 1.00 0.00 N ATOM 0 H ARG A 57 -4.846 12.702 2.786 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.796 13.736 5.282 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.370 13.622 3.306 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.522 14.547 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.053 16.230 2.894 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -3.130 16.368 4.269 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.625 15.301 5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.766 14.498 4.435 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.511 17.378 4.223 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.640 14.530 5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.201 15.257 6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 57 1.495 18.308 4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.684 17.389 5.663 1.00 0.00 H new ATOM 839 N TYR A 58 -5.032 15.884 5.610 1.00 0.00 N ATOM 840 CA TYR A 58 -5.900 17.013 5.919 1.00 0.00 C ATOM 841 C TYR A 58 -5.245 17.942 6.936 1.00 0.00 C ATOM 842 O TYR A 58 -4.795 17.503 7.994 1.00 0.00 O ATOM 843 CB TYR A 58 -7.244 16.518 6.457 1.00 0.00 C ATOM 844 CG TYR A 58 -8.239 17.627 6.716 1.00 0.00 C ATOM 845 CD1 TYR A 58 -8.006 18.579 7.701 1.00 0.00 C ATOM 846 CD2 TYR A 58 -9.411 17.722 5.975 1.00 0.00 C ATOM 847 CE1 TYR A 58 -8.912 19.594 7.941 1.00 0.00 C ATOM 848 CE2 TYR A 58 -10.322 18.735 6.208 1.00 0.00 C ATOM 849 CZ TYR A 58 -10.068 19.667 7.192 1.00 0.00 C ATOM 850 OH TYR A 58 -10.972 20.678 7.428 1.00 0.00 O ATOM 0 H TYR A 58 -4.296 15.718 6.297 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.067 17.572 4.998 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -7.674 15.815 5.744 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.075 15.969 7.384 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.102 18.525 8.289 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.613 16.992 5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.716 20.326 8.711 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.228 18.796 5.623 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.731 20.588 6.815 1.00 0.00 H new ATOM 860 N GLU A 59 -5.195 19.229 6.607 1.00 0.00 N ATOM 861 CA GLU A 59 -4.594 20.221 7.491 1.00 0.00 C ATOM 862 C GLU A 59 -3.208 19.775 7.947 1.00 0.00 C ATOM 863 O GLU A 59 -2.837 19.950 9.106 1.00 0.00 O ATOM 864 CB GLU A 59 -5.490 20.461 8.708 1.00 0.00 C ATOM 865 CG GLU A 59 -5.240 21.794 9.394 1.00 0.00 C ATOM 866 CD GLU A 59 -5.574 21.760 10.873 1.00 0.00 C ATOM 867 OE1 GLU A 59 -6.772 21.643 11.207 1.00 0.00 O ATOM 868 OE2 GLU A 59 -4.639 21.852 11.695 1.00 0.00 O ATOM 0 H GLU A 59 -5.563 19.609 5.735 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.492 21.152 6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.533 20.412 8.396 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.335 19.657 9.427 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.194 22.073 9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.837 22.566 8.908 1.00 0.00 H new ATOM 876 N GLY A 60 -2.446 19.195 7.023 1.00 0.00 N ATOM 877 CA GLY A 60 -1.110 18.733 7.348 1.00 0.00 C ATOM 878 C GLY A 60 -1.119 17.579 8.332 1.00 0.00 C ATOM 879 O GLY A 60 -0.267 17.503 9.217 1.00 0.00 O ATOM 0 H GLY A 60 -2.731 19.037 6.056 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.604 18.423 6.434 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.535 19.559 7.767 1.00 0.00 H new ATOM 883 N ARG A 61 -2.085 16.680 8.178 1.00 0.00 N ATOM 884 CA ARG A 61 -2.204 15.527 9.062 1.00 0.00 C ATOM 885 C ARG A 61 -2.705 14.305 8.298 1.00 0.00 C ATOM 886 O ARG A 61 -3.453 14.430 7.328 1.00 0.00 O ATOM 887 CB ARG A 61 -3.153 15.841 10.221 1.00 0.00 C ATOM 888 CG ARG A 61 -2.536 16.729 11.288 1.00 0.00 C ATOM 889 CD ARG A 61 -3.344 16.693 12.577 1.00 0.00 C ATOM 890 NE ARG A 61 -2.856 17.660 13.556 1.00 0.00 N ATOM 891 CZ ARG A 61 -2.955 18.976 13.401 1.00 0.00 C ATOM 892 NH1 ARG A 61 -3.521 19.478 12.313 1.00 0.00 N ATOM 893 NH2 ARG A 61 -2.487 19.792 14.337 1.00 0.00 N ATOM 0 H ARG A 61 -2.797 16.728 7.449 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.215 15.304 9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.046 16.327 9.827 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.475 14.906 10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.515 16.404 11.488 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.478 17.754 10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.391 16.899 12.354 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.300 15.691 13.004 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.415 17.306 14.405 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.882 18.854 11.592 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.596 20.489 12.197 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.051 19.409 15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.563 20.802 14.218 1.00 0.00 H new ATOM 907 N VAL A 62 -2.285 13.124 8.740 1.00 0.00 N ATOM 908 CA VAL A 62 -2.691 11.879 8.098 1.00 0.00 C ATOM 909 C VAL A 62 -3.572 11.046 9.022 1.00 0.00 C ATOM 910 O VAL A 62 -3.091 10.453 9.988 1.00 0.00 O ATOM 911 CB VAL A 62 -1.470 11.040 7.678 1.00 0.00 C ATOM 912 CG1 VAL A 62 -1.913 9.721 7.065 1.00 0.00 C ATOM 913 CG2 VAL A 62 -0.596 11.821 6.707 1.00 0.00 C ATOM 0 H VAL A 62 -1.664 13.003 9.540 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.258 12.152 7.208 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.880 10.820 8.567 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.036 9.142 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.494 9.158 7.795 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.526 9.916 6.185 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.262 11.213 6.420 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.175 12.073 5.819 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.249 12.737 7.186 1.00 0.00 H new ATOM 923 N TYR A 63 -4.865 11.005 8.719 1.00 0.00 N ATOM 924 CA TYR A 63 -5.814 10.246 9.524 1.00 0.00 C ATOM 925 C TYR A 63 -5.877 8.793 9.066 1.00 0.00 C ATOM 926 O TYR A 63 -6.282 8.500 7.940 1.00 0.00 O ATOM 927 CB TYR A 63 -7.205 10.878 9.442 1.00 0.00 C ATOM 928 CG TYR A 63 -7.302 12.218 10.136 1.00 0.00 C ATOM 929 CD1 TYR A 63 -7.550 12.299 11.501 1.00 0.00 C ATOM 930 CD2 TYR A 63 -7.148 13.403 9.427 1.00 0.00 C ATOM 931 CE1 TYR A 63 -7.641 13.521 12.139 1.00 0.00 C ATOM 932 CE2 TYR A 63 -7.236 14.629 10.057 1.00 0.00 C ATOM 933 CZ TYR A 63 -7.483 14.683 11.413 1.00 0.00 C ATOM 934 OH TYR A 63 -7.573 15.903 12.044 1.00 0.00 O ATOM 0 H TYR A 63 -5.279 11.488 7.922 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.472 10.268 10.559 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.478 11.000 8.394 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.932 10.196 9.883 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -7.674 11.391 12.073 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -6.956 13.365 8.365 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.835 13.566 13.201 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.112 15.540 9.491 1.00 0.00 H new ATOM 0 HH TYR A 63 -7.437 16.620 11.390 1.00 0.00 H new ATOM 944 N HIS A 64 -5.473 7.882 9.948 1.00 0.00 N ATOM 945 CA HIS A 64 -5.484 6.458 9.635 1.00 0.00 C ATOM 946 C HIS A 64 -6.828 5.833 9.995 1.00 0.00 C ATOM 947 O HIS A 64 -7.399 6.125 11.047 1.00 0.00 O ATOM 948 CB HIS A 64 -4.359 5.743 10.384 1.00 0.00 C ATOM 949 CG HIS A 64 -3.003 5.975 9.792 1.00 0.00 C ATOM 950 ND1 HIS A 64 -2.278 4.987 9.159 1.00 0.00 N ATOM 951 CD2 HIS A 64 -2.240 7.092 9.739 1.00 0.00 C ATOM 952 CE1 HIS A 64 -1.128 5.486 8.743 1.00 0.00 C ATOM 953 NE2 HIS A 64 -1.080 6.762 9.083 1.00 0.00 N ATOM 0 H HIS A 64 -5.135 8.106 10.884 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.327 6.345 8.562 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.355 6.077 11.422 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.564 4.672 10.394 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.496 8.062 10.138 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -0.358 4.943 8.215 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.307 7.398 8.890 1.00 0.00 H new ATOM 962 N TYR A 65 -7.329 4.973 9.116 1.00 0.00 N ATOM 963 CA TYR A 65 -8.609 4.310 9.339 1.00 0.00 C ATOM 964 C TYR A 65 -8.491 2.808 9.104 1.00 0.00 C ATOM 965 O TYR A 65 -8.829 2.307 8.032 1.00 0.00 O ATOM 966 CB TYR A 65 -9.680 4.899 8.420 1.00 0.00 C ATOM 967 CG TYR A 65 -9.962 6.362 8.677 1.00 0.00 C ATOM 968 CD1 TYR A 65 -10.590 6.773 9.847 1.00 0.00 C ATOM 969 CD2 TYR A 65 -9.602 7.334 7.752 1.00 0.00 C ATOM 970 CE1 TYR A 65 -10.851 8.108 10.088 1.00 0.00 C ATOM 971 CE2 TYR A 65 -9.858 8.671 7.984 1.00 0.00 C ATOM 972 CZ TYR A 65 -10.482 9.054 9.154 1.00 0.00 C ATOM 973 OH TYR A 65 -10.739 10.384 9.388 1.00 0.00 O ATOM 0 H TYR A 65 -6.869 4.718 8.242 1.00 0.00 H new ATOM 0 HA TYR A 65 -8.900 4.476 10.376 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -9.365 4.775 7.384 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.603 4.333 8.543 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -10.879 6.035 10.581 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.113 7.039 6.835 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -11.341 8.409 11.002 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.571 9.413 7.254 1.00 0.00 H new ATOM 0 HH TYR A 65 -10.723 10.556 10.353 1.00 0.00 H new ATOM 983 N ARG A 66 -8.009 2.092 10.116 1.00 0.00 N ATOM 984 CA ARG A 66 -7.846 0.647 10.021 1.00 0.00 C ATOM 985 C ARG A 66 -9.191 -0.039 9.801 1.00 0.00 C ATOM 986 O ARG A 66 -9.997 -0.158 10.724 1.00 0.00 O ATOM 987 CB ARG A 66 -7.185 0.103 11.289 1.00 0.00 C ATOM 988 CG ARG A 66 -7.049 -1.411 11.302 1.00 0.00 C ATOM 989 CD ARG A 66 -5.861 -1.871 10.472 1.00 0.00 C ATOM 990 NE ARG A 66 -4.609 -1.793 11.218 1.00 0.00 N ATOM 991 CZ ARG A 66 -3.806 -0.734 11.198 1.00 0.00 C ATOM 992 NH1 ARG A 66 -4.125 0.329 10.474 1.00 0.00 N ATOM 993 NH2 ARG A 66 -2.683 -0.739 11.904 1.00 0.00 N ATOM 0 H ARG A 66 -7.725 2.490 11.011 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.205 0.434 9.165 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.196 0.549 11.393 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.768 0.415 12.155 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.933 -1.758 12.329 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.962 -1.863 10.914 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.024 -2.898 10.144 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.787 -1.257 9.574 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.335 -2.595 11.786 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -4.988 0.336 9.931 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.507 1.141 10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.435 -1.556 12.463 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.067 0.074 11.888 1.00 0.00 H new ATOM 1007 N ILE A 67 -9.427 -0.486 8.572 1.00 0.00 N ATOM 1008 CA ILE A 67 -10.674 -1.160 8.231 1.00 0.00 C ATOM 1009 C ILE A 67 -10.893 -2.387 9.109 1.00 0.00 C ATOM 1010 O ILE A 67 -10.030 -3.257 9.204 1.00 0.00 O ATOM 1011 CB ILE A 67 -10.694 -1.591 6.752 1.00 0.00 C ATOM 1012 CG1 ILE A 67 -10.673 -0.363 5.841 1.00 0.00 C ATOM 1013 CG2 ILE A 67 -11.920 -2.447 6.467 1.00 0.00 C ATOM 1014 CD1 ILE A 67 -9.280 0.165 5.570 1.00 0.00 C ATOM 0 H ILE A 67 -8.771 -0.394 7.796 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.478 -0.444 8.404 1.00 0.00 H new ATOM 0 HB ILE A 67 -9.804 -2.186 6.550 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.148 -0.616 4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.270 0.427 6.296 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -11.921 -2.744 5.418 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -11.897 -3.337 7.096 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.822 -1.874 6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.342 1.036 4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -8.809 0.449 6.511 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -8.685 -0.610 5.086 1.00 0.00 H new ATOM 1026 N ASN A 68 -12.057 -2.449 9.749 1.00 0.00 N ATOM 1027 CA ASN A 68 -12.391 -3.570 10.619 1.00 0.00 C ATOM 1028 C ASN A 68 -12.980 -4.726 9.816 1.00 0.00 C ATOM 1029 O ASN A 68 -13.198 -4.611 8.609 1.00 0.00 O ATOM 1030 CB ASN A 68 -13.383 -3.127 11.697 1.00 0.00 C ATOM 1031 CG ASN A 68 -12.868 -1.957 12.512 1.00 0.00 C ATOM 1032 OD1 ASN A 68 -11.814 -2.042 13.144 1.00 0.00 O ATOM 1033 ND2 ASN A 68 -13.610 -0.856 12.501 1.00 0.00 N ATOM 0 H ASN A 68 -12.784 -1.736 9.681 1.00 0.00 H new ATOM 0 HA ASN A 68 -11.473 -3.913 11.096 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.327 -2.851 11.227 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -13.591 -3.965 12.362 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.314 -0.036 13.030 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.476 -0.830 11.963 1.00 0.00 H new ATOM 1040 N THR A 69 -13.235 -5.841 10.494 1.00 0.00 N ATOM 1041 CA THR A 69 -13.797 -7.018 9.844 1.00 0.00 C ATOM 1042 C THR A 69 -14.830 -7.697 10.734 1.00 0.00 C ATOM 1043 O THR A 69 -14.609 -7.883 11.931 1.00 0.00 O ATOM 1044 CB THR A 69 -12.700 -8.037 9.480 1.00 0.00 C ATOM 1045 OG1 THR A 69 -11.636 -7.383 8.779 1.00 0.00 O ATOM 1046 CG2 THR A 69 -13.265 -9.159 8.622 1.00 0.00 C ATOM 0 H THR A 69 -13.061 -5.953 11.493 1.00 0.00 H new ATOM 0 HA THR A 69 -14.280 -6.673 8.930 1.00 0.00 H new ATOM 0 HB THR A 69 -12.315 -8.467 10.404 1.00 0.00 H new ATOM 0 HG1 THR A 69 -10.942 -8.037 8.553 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.472 -9.865 8.378 1.00 0.00 H new ATOM 0 HG22 THR A 69 -14.054 -9.674 9.170 1.00 0.00 H new ATOM 0 HG23 THR A 69 -13.675 -8.742 7.702 1.00 0.00 H new ATOM 1054 N THR A 70 -15.963 -8.069 10.144 1.00 0.00 N ATOM 1055 CA THR A 70 -17.031 -8.727 10.884 1.00 0.00 C ATOM 1056 C THR A 70 -16.895 -10.244 10.813 1.00 0.00 C ATOM 1057 O THR A 70 -16.149 -10.771 9.989 1.00 0.00 O ATOM 1058 CB THR A 70 -18.417 -8.321 10.350 1.00 0.00 C ATOM 1059 OG1 THR A 70 -18.526 -8.659 8.962 1.00 0.00 O ATOM 1060 CG2 THR A 70 -18.653 -6.829 10.534 1.00 0.00 C ATOM 0 H THR A 70 -16.163 -7.925 9.154 1.00 0.00 H new ATOM 0 HA THR A 70 -16.942 -8.405 11.922 1.00 0.00 H new ATOM 0 HB THR A 70 -19.173 -8.865 10.916 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.455 -8.549 8.670 1.00 0.00 H new ATOM 0 HG21 THR A 70 -19.638 -6.566 10.149 1.00 0.00 H new ATOM 0 HG22 THR A 70 -18.599 -6.580 11.594 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.891 -6.270 9.991 1.00 0.00 H new ATOM 1068 N ALA A 71 -17.623 -10.939 11.682 1.00 0.00 N ATOM 1069 CA ALA A 71 -17.585 -12.397 11.714 1.00 0.00 C ATOM 1070 C ALA A 71 -17.661 -12.979 10.308 1.00 0.00 C ATOM 1071 O ALA A 71 -16.867 -13.846 9.941 1.00 0.00 O ATOM 1072 CB ALA A 71 -18.720 -12.934 12.573 1.00 0.00 C ATOM 0 H ALA A 71 -18.245 -10.517 12.372 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.635 -12.703 12.153 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -18.681 -14.023 12.589 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.619 -12.553 13.589 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -19.675 -12.612 12.158 1.00 0.00 H new ATOM 1078 N ASP A 72 -18.620 -12.500 9.525 1.00 0.00 N ATOM 1079 CA ASP A 72 -18.800 -12.974 8.157 1.00 0.00 C ATOM 1080 C ASP A 72 -17.596 -12.610 7.294 1.00 0.00 C ATOM 1081 O ASP A 72 -16.896 -13.486 6.787 1.00 0.00 O ATOM 1082 CB ASP A 72 -20.074 -12.381 7.553 1.00 0.00 C ATOM 1083 CG ASP A 72 -21.323 -12.814 8.295 1.00 0.00 C ATOM 1084 OD1 ASP A 72 -22.043 -11.933 8.809 1.00 0.00 O ATOM 1085 OD2 ASP A 72 -21.580 -14.034 8.362 1.00 0.00 O ATOM 0 H ASP A 72 -19.286 -11.783 9.814 1.00 0.00 H new ATOM 0 HA ASP A 72 -18.891 -14.060 8.183 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -20.006 -11.293 7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -20.152 -12.683 6.509 1.00 0.00 H new ATOM 1091 N GLY A 73 -17.361 -11.311 7.130 1.00 0.00 N ATOM 1092 CA GLY A 73 -16.243 -10.856 6.326 1.00 0.00 C ATOM 1093 C GLY A 73 -16.523 -9.534 5.638 1.00 0.00 C ATOM 1094 O GLY A 73 -16.210 -9.360 4.460 1.00 0.00 O ATOM 0 H GLY A 73 -17.925 -10.567 7.540 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -15.362 -10.753 6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.009 -11.610 5.575 1.00 0.00 H new ATOM 1098 N LYS A 74 -17.118 -8.601 6.373 1.00 0.00 N ATOM 1099 CA LYS A 74 -17.442 -7.288 5.827 1.00 0.00 C ATOM 1100 C LYS A 74 -16.461 -6.233 6.328 1.00 0.00 C ATOM 1101 O LYS A 74 -15.728 -6.459 7.290 1.00 0.00 O ATOM 1102 CB LYS A 74 -18.871 -6.893 6.210 1.00 0.00 C ATOM 1103 CG LYS A 74 -19.930 -7.832 5.657 1.00 0.00 C ATOM 1104 CD LYS A 74 -21.332 -7.306 5.918 1.00 0.00 C ATOM 1105 CE LYS A 74 -22.381 -8.386 5.703 1.00 0.00 C ATOM 1106 NZ LYS A 74 -22.401 -8.866 4.294 1.00 0.00 N ATOM 0 H LYS A 74 -17.386 -8.730 7.349 1.00 0.00 H new ATOM 0 HA LYS A 74 -17.365 -7.344 4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -18.953 -6.866 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -19.069 -5.883 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -19.781 -7.958 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -19.819 -8.816 6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -21.397 -6.932 6.940 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -21.535 -6.464 5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -22.181 -9.225 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -23.364 -7.996 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.173 -9.552 4.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.550 -8.059 3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -21.494 -9.323 4.070 1.00 0.00 H new ATOM 1120 N VAL A 75 -16.453 -5.079 5.669 1.00 0.00 N ATOM 1121 CA VAL A 75 -15.564 -3.987 6.048 1.00 0.00 C ATOM 1122 C VAL A 75 -16.349 -2.713 6.335 1.00 0.00 C ATOM 1123 O VAL A 75 -17.260 -2.352 5.590 1.00 0.00 O ATOM 1124 CB VAL A 75 -14.526 -3.701 4.948 1.00 0.00 C ATOM 1125 CG1 VAL A 75 -13.537 -4.852 4.833 1.00 0.00 C ATOM 1126 CG2 VAL A 75 -15.216 -3.447 3.617 1.00 0.00 C ATOM 0 H VAL A 75 -17.053 -4.876 4.869 1.00 0.00 H new ATOM 0 HA VAL A 75 -15.045 -4.302 6.954 1.00 0.00 H new ATOM 0 HB VAL A 75 -13.972 -2.803 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.811 -4.631 4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -13.018 -4.982 5.783 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -14.072 -5.768 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.467 -3.247 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -15.797 -4.325 3.335 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.879 -2.587 3.709 1.00 0.00 H new ATOM 1136 N TYR A 76 -15.990 -2.034 7.419 1.00 0.00 N ATOM 1137 CA TYR A 76 -16.662 -0.800 7.807 1.00 0.00 C ATOM 1138 C TYR A 76 -15.879 -0.071 8.894 1.00 0.00 C ATOM 1139 O TYR A 76 -15.603 -0.629 9.957 1.00 0.00 O ATOM 1140 CB TYR A 76 -18.080 -1.098 8.296 1.00 0.00 C ATOM 1141 CG TYR A 76 -18.136 -1.595 9.723 1.00 0.00 C ATOM 1142 CD1 TYR A 76 -17.776 -2.899 10.040 1.00 0.00 C ATOM 1143 CD2 TYR A 76 -18.549 -0.761 10.754 1.00 0.00 C ATOM 1144 CE1 TYR A 76 -17.826 -3.358 11.342 1.00 0.00 C ATOM 1145 CE2 TYR A 76 -18.601 -1.210 12.060 1.00 0.00 C ATOM 1146 CZ TYR A 76 -18.239 -2.510 12.348 1.00 0.00 C ATOM 1147 OH TYR A 76 -18.290 -2.961 13.647 1.00 0.00 O ATOM 0 H TYR A 76 -15.236 -2.318 8.045 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.716 -0.155 6.930 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -18.682 -0.193 8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -18.532 -1.844 7.642 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -17.451 -3.566 9.255 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.835 0.256 10.531 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -17.543 -4.375 11.571 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -18.923 -0.548 12.850 1.00 0.00 H new ATOM 0 HH TYR A 76 -18.600 -2.239 14.232 1.00 0.00 H new ATOM 1157 N VAL A 77 -15.524 1.181 8.621 1.00 0.00 N ATOM 1158 CA VAL A 77 -14.774 1.989 9.576 1.00 0.00 C ATOM 1159 C VAL A 77 -15.663 3.048 10.216 1.00 0.00 C ATOM 1160 O VAL A 77 -15.576 4.231 9.886 1.00 0.00 O ATOM 1161 CB VAL A 77 -13.573 2.679 8.904 1.00 0.00 C ATOM 1162 CG1 VAL A 77 -12.611 1.647 8.336 1.00 0.00 C ATOM 1163 CG2 VAL A 77 -14.046 3.635 7.819 1.00 0.00 C ATOM 0 H VAL A 77 -15.744 1.658 7.746 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.409 1.311 10.348 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.041 3.258 9.659 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -11.769 2.155 7.865 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.246 1.008 9.140 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -13.128 1.037 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -13.184 4.114 7.355 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.604 3.081 7.064 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -14.690 4.396 8.260 1.00 0.00 H new ATOM 1173 N THR A 78 -16.521 2.617 11.137 1.00 0.00 N ATOM 1174 CA THR A 78 -17.426 3.527 11.823 1.00 0.00 C ATOM 1175 C THR A 78 -18.258 2.792 12.869 1.00 0.00 C ATOM 1176 O THR A 78 -18.306 1.563 12.883 1.00 0.00 O ATOM 1177 CB THR A 78 -18.374 4.232 10.834 1.00 0.00 C ATOM 1178 OG1 THR A 78 -19.401 4.927 11.548 1.00 0.00 O ATOM 1179 CG2 THR A 78 -19.004 3.226 9.881 1.00 0.00 C ATOM 0 H THR A 78 -16.606 1.642 11.424 1.00 0.00 H new ATOM 0 HA THR A 78 -16.805 4.275 12.316 1.00 0.00 H new ATOM 0 HB THR A 78 -17.791 4.946 10.253 1.00 0.00 H new ATOM 0 HG1 THR A 78 -20.220 4.944 11.010 1.00 0.00 H new ATOM 0 HG21 THR A 78 -19.670 3.745 9.192 1.00 0.00 H new ATOM 0 HG22 THR A 78 -18.221 2.719 9.317 1.00 0.00 H new ATOM 0 HG23 THR A 78 -19.573 2.492 10.451 1.00 0.00 H new ATOM 1187 N ALA A 79 -18.912 3.552 13.741 1.00 0.00 N ATOM 1188 CA ALA A 79 -19.743 2.972 14.787 1.00 0.00 C ATOM 1189 C ALA A 79 -21.213 3.318 14.576 1.00 0.00 C ATOM 1190 O ALA A 79 -22.064 2.977 15.397 1.00 0.00 O ATOM 1191 CB ALA A 79 -19.278 3.448 16.156 1.00 0.00 C ATOM 0 H ALA A 79 -18.882 4.572 13.743 1.00 0.00 H new ATOM 0 HA ALA A 79 -19.641 1.888 14.738 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.908 3.007 16.928 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -18.243 3.144 16.315 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.349 4.534 16.207 1.00 0.00 H new ATOM 1197 N GLU A 80 -21.503 3.999 13.471 1.00 0.00 N ATOM 1198 CA GLU A 80 -22.871 4.393 13.155 1.00 0.00 C ATOM 1199 C GLU A 80 -23.572 3.313 12.335 1.00 0.00 C ATOM 1200 O GLU A 80 -24.717 2.954 12.612 1.00 0.00 O ATOM 1201 CB GLU A 80 -22.879 5.717 12.388 1.00 0.00 C ATOM 1202 CG GLU A 80 -22.590 6.928 13.259 1.00 0.00 C ATOM 1203 CD GLU A 80 -22.968 8.233 12.588 1.00 0.00 C ATOM 1204 OE1 GLU A 80 -22.056 8.947 12.123 1.00 0.00 O ATOM 1205 OE2 GLU A 80 -24.177 8.541 12.528 1.00 0.00 O ATOM 0 H GLU A 80 -20.810 4.289 12.781 1.00 0.00 H new ATOM 0 HA GLU A 80 -23.412 4.521 14.093 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.138 5.669 11.590 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -23.851 5.846 11.913 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -23.137 6.835 14.197 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -21.529 6.946 13.509 1.00 0.00 H new ATOM 1213 N SER A 81 -22.877 2.800 11.324 1.00 0.00 N ATOM 1214 CA SER A 81 -23.434 1.765 10.463 1.00 0.00 C ATOM 1215 C SER A 81 -22.332 0.863 9.916 1.00 0.00 C ATOM 1216 O SER A 81 -21.165 0.996 10.286 1.00 0.00 O ATOM 1217 CB SER A 81 -24.210 2.398 9.305 1.00 0.00 C ATOM 1218 OG SER A 81 -25.276 1.562 8.888 1.00 0.00 O ATOM 0 H SER A 81 -21.928 3.085 11.082 1.00 0.00 H new ATOM 0 HA SER A 81 -24.115 1.158 11.060 1.00 0.00 H new ATOM 0 HB2 SER A 81 -24.603 3.367 9.613 1.00 0.00 H new ATOM 0 HB3 SER A 81 -23.536 2.579 8.467 1.00 0.00 H new ATOM 0 HG SER A 81 -25.757 1.989 8.149 1.00 0.00 H new ATOM 1224 N ARG A 82 -22.711 -0.056 9.033 1.00 0.00 N ATOM 1225 CA ARG A 82 -21.756 -0.982 8.436 1.00 0.00 C ATOM 1226 C ARG A 82 -21.922 -1.033 6.920 1.00 0.00 C ATOM 1227 O ARG A 82 -22.924 -0.563 6.379 1.00 0.00 O ATOM 1228 CB ARG A 82 -21.934 -2.382 9.026 1.00 0.00 C ATOM 1229 CG ARG A 82 -21.715 -2.442 10.529 1.00 0.00 C ATOM 1230 CD ARG A 82 -22.228 -3.748 11.115 1.00 0.00 C ATOM 1231 NE ARG A 82 -23.683 -3.754 11.250 1.00 0.00 N ATOM 1232 CZ ARG A 82 -24.343 -4.569 12.064 1.00 0.00 C ATOM 1233 NH1 ARG A 82 -23.681 -5.440 12.813 1.00 0.00 N ATOM 1234 NH2 ARG A 82 -25.667 -4.514 12.132 1.00 0.00 N ATOM 0 H ARG A 82 -23.673 -0.179 8.716 1.00 0.00 H new ATOM 0 HA ARG A 82 -20.752 -0.624 8.662 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -22.939 -2.737 8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -21.237 -3.064 8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -20.652 -2.337 10.747 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -22.223 -1.604 11.006 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -21.920 -4.577 10.478 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -21.773 -3.910 12.092 1.00 0.00 H new ATOM 0 HE ARG A 82 -24.222 -3.095 10.687 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -22.663 -5.485 12.764 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -24.190 -6.065 13.438 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -26.180 -3.845 11.558 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -26.172 -5.141 12.758 1.00 0.00 H new ATOM 1248 N PHE A 83 -20.934 -1.604 6.241 1.00 0.00 N ATOM 1249 CA PHE A 83 -20.970 -1.714 4.787 1.00 0.00 C ATOM 1250 C PHE A 83 -20.696 -3.148 4.343 1.00 0.00 C ATOM 1251 O PHE A 83 -20.074 -3.925 5.067 1.00 0.00 O ATOM 1252 CB PHE A 83 -19.945 -0.769 4.157 1.00 0.00 C ATOM 1253 CG PHE A 83 -20.150 0.672 4.528 1.00 0.00 C ATOM 1254 CD1 PHE A 83 -19.600 1.186 5.691 1.00 0.00 C ATOM 1255 CD2 PHE A 83 -20.894 1.511 3.715 1.00 0.00 C ATOM 1256 CE1 PHE A 83 -19.789 2.512 6.036 1.00 0.00 C ATOM 1257 CE2 PHE A 83 -21.085 2.838 4.053 1.00 0.00 C ATOM 1258 CZ PHE A 83 -20.531 3.339 5.215 1.00 0.00 C ATOM 0 H PHE A 83 -20.098 -1.998 6.673 1.00 0.00 H new ATOM 0 HA PHE A 83 -21.968 -1.432 4.451 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.945 -1.076 4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -19.991 -0.867 3.072 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.017 0.544 6.335 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -21.330 1.124 2.806 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -19.357 2.901 6.946 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -21.666 3.482 3.410 1.00 0.00 H new ATOM 0 HZ PHE A 83 -20.678 4.375 5.481 1.00 0.00 H new ATOM 1268 N SER A 84 -21.165 -3.491 3.148 1.00 0.00 N ATOM 1269 CA SER A 84 -20.976 -4.833 2.608 1.00 0.00 C ATOM 1270 C SER A 84 -19.532 -5.038 2.160 1.00 0.00 C ATOM 1271 O SER A 84 -18.821 -5.896 2.687 1.00 0.00 O ATOM 1272 CB SER A 84 -21.926 -5.071 1.433 1.00 0.00 C ATOM 1273 OG SER A 84 -21.839 -4.022 0.485 1.00 0.00 O ATOM 0 H SER A 84 -21.679 -2.858 2.535 1.00 0.00 H new ATOM 0 HA SER A 84 -21.199 -5.551 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 84 -21.685 -6.020 0.953 1.00 0.00 H new ATOM 0 HB3 SER A 84 -22.950 -5.150 1.799 1.00 0.00 H new ATOM 0 HG SER A 84 -22.455 -4.199 -0.257 1.00 0.00 H new ATOM 1279 N THR A 85 -19.103 -4.246 1.182 1.00 0.00 N ATOM 1280 CA THR A 85 -17.746 -4.340 0.661 1.00 0.00 C ATOM 1281 C THR A 85 -17.015 -3.009 0.785 1.00 0.00 C ATOM 1282 O THR A 85 -17.594 -2.007 1.209 1.00 0.00 O ATOM 1283 CB THR A 85 -17.740 -4.781 -0.816 1.00 0.00 C ATOM 1284 OG1 THR A 85 -18.403 -3.800 -1.621 1.00 0.00 O ATOM 1285 CG2 THR A 85 -18.426 -6.128 -0.981 1.00 0.00 C ATOM 0 H THR A 85 -19.677 -3.532 0.735 1.00 0.00 H new ATOM 0 HA THR A 85 -17.230 -5.091 1.259 1.00 0.00 H new ATOM 0 HB THR A 85 -16.704 -4.877 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 85 -18.394 -4.086 -2.558 1.00 0.00 H new ATOM 0 HG21 THR A 85 -18.409 -6.418 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 85 -17.902 -6.878 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 85 -19.459 -6.054 -0.641 1.00 0.00 H new ATOM 1293 N LEU A 86 -15.739 -3.002 0.413 1.00 0.00 N ATOM 1294 CA LEU A 86 -14.929 -1.791 0.481 1.00 0.00 C ATOM 1295 C LEU A 86 -15.474 -0.716 -0.454 1.00 0.00 C ATOM 1296 O LEU A 86 -15.760 0.403 -0.029 1.00 0.00 O ATOM 1297 CB LEU A 86 -13.475 -2.106 0.122 1.00 0.00 C ATOM 1298 CG LEU A 86 -12.446 -1.039 0.496 1.00 0.00 C ATOM 1299 CD1 LEU A 86 -12.304 -0.940 2.007 1.00 0.00 C ATOM 1300 CD2 LEU A 86 -11.102 -1.345 -0.149 1.00 0.00 C ATOM 0 H LEU A 86 -15.244 -3.821 0.061 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.972 -1.412 1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.195 -3.039 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.416 -2.278 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 86 -12.796 -0.077 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -11.567 -0.175 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.265 -0.673 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -11.977 -1.901 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.382 -0.575 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.746 -2.316 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.214 -1.363 -1.233 1.00 0.00 H new ATOM 1312 N ALA A 87 -15.619 -1.065 -1.727 1.00 0.00 N ATOM 1313 CA ALA A 87 -16.135 -0.132 -2.721 1.00 0.00 C ATOM 1314 C ALA A 87 -17.239 0.740 -2.134 1.00 0.00 C ATOM 1315 O ALA A 87 -17.245 1.957 -2.319 1.00 0.00 O ATOM 1316 CB ALA A 87 -16.647 -0.888 -3.938 1.00 0.00 C ATOM 0 H ALA A 87 -15.386 -1.987 -2.095 1.00 0.00 H new ATOM 0 HA ALA A 87 -15.318 0.521 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -17.029 -0.179 -4.672 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -15.832 -1.463 -4.379 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -17.447 -1.565 -3.636 1.00 0.00 H new ATOM 1322 N GLU A 88 -18.172 0.109 -1.427 1.00 0.00 N ATOM 1323 CA GLU A 88 -19.282 0.830 -0.815 1.00 0.00 C ATOM 1324 C GLU A 88 -18.794 1.712 0.330 1.00 0.00 C ATOM 1325 O GLU A 88 -19.310 2.808 0.549 1.00 0.00 O ATOM 1326 CB GLU A 88 -20.337 -0.153 -0.303 1.00 0.00 C ATOM 1327 CG GLU A 88 -20.910 -1.050 -1.387 1.00 0.00 C ATOM 1328 CD GLU A 88 -21.931 -0.339 -2.253 1.00 0.00 C ATOM 1329 OE1 GLU A 88 -21.666 -0.167 -3.461 1.00 0.00 O ATOM 1330 OE2 GLU A 88 -22.996 0.044 -1.724 1.00 0.00 O ATOM 0 H GLU A 88 -18.181 -0.898 -1.264 1.00 0.00 H new ATOM 0 HA GLU A 88 -19.730 1.469 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -19.895 -0.775 0.475 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -21.149 0.407 0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -20.099 -1.418 -2.016 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -21.375 -1.921 -0.925 1.00 0.00 H new ATOM 1338 N LEU A 89 -17.796 1.224 1.058 1.00 0.00 N ATOM 1339 CA LEU A 89 -17.235 1.967 2.183 1.00 0.00 C ATOM 1340 C LEU A 89 -16.709 3.325 1.732 1.00 0.00 C ATOM 1341 O LEU A 89 -17.005 4.352 2.343 1.00 0.00 O ATOM 1342 CB LEU A 89 -16.110 1.164 2.840 1.00 0.00 C ATOM 1343 CG LEU A 89 -15.368 1.859 3.981 1.00 0.00 C ATOM 1344 CD1 LEU A 89 -14.732 0.835 4.907 1.00 0.00 C ATOM 1345 CD2 LEU A 89 -14.314 2.810 3.430 1.00 0.00 C ATOM 0 H LEU A 89 -17.358 0.318 0.890 1.00 0.00 H new ATOM 0 HA LEU A 89 -18.030 2.130 2.911 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -16.530 0.233 3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -15.385 0.897 2.071 1.00 0.00 H new ATOM 0 HG LEU A 89 -16.089 2.440 4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.208 1.349 5.713 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -15.507 0.195 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -14.024 0.226 4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.795 3.296 4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -13.596 2.250 2.830 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.795 3.565 2.808 1.00 0.00 H new ATOM 1357 N VAL A 90 -15.929 3.323 0.655 1.00 0.00 N ATOM 1358 CA VAL A 90 -15.364 4.556 0.119 1.00 0.00 C ATOM 1359 C VAL A 90 -16.392 5.317 -0.711 1.00 0.00 C ATOM 1360 O VAL A 90 -16.472 6.544 -0.647 1.00 0.00 O ATOM 1361 CB VAL A 90 -14.125 4.274 -0.752 1.00 0.00 C ATOM 1362 CG1 VAL A 90 -13.597 5.562 -1.363 1.00 0.00 C ATOM 1363 CG2 VAL A 90 -13.046 3.581 0.066 1.00 0.00 C ATOM 0 H VAL A 90 -15.674 2.482 0.137 1.00 0.00 H new ATOM 0 HA VAL A 90 -15.068 5.165 0.973 1.00 0.00 H new ATOM 0 HB VAL A 90 -14.417 3.608 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -12.722 5.343 -1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -14.370 6.014 -1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -13.320 6.255 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.178 3.389 -0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -12.755 4.220 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -13.431 2.636 0.450 1.00 0.00 H new ATOM 1373 N HIS A 91 -17.178 4.580 -1.489 1.00 0.00 N ATOM 1374 CA HIS A 91 -18.204 5.184 -2.332 1.00 0.00 C ATOM 1375 C HIS A 91 -19.202 5.973 -1.491 1.00 0.00 C ATOM 1376 O HIS A 91 -19.341 7.187 -1.649 1.00 0.00 O ATOM 1377 CB HIS A 91 -18.934 4.107 -3.135 1.00 0.00 C ATOM 1378 CG HIS A 91 -19.815 4.659 -4.213 1.00 0.00 C ATOM 1379 ND1 HIS A 91 -20.920 3.991 -4.697 1.00 0.00 N ATOM 1380 CD2 HIS A 91 -19.750 5.822 -4.902 1.00 0.00 C ATOM 1381 CE1 HIS A 91 -21.496 4.720 -5.637 1.00 0.00 C ATOM 1382 NE2 HIS A 91 -20.805 5.836 -5.779 1.00 0.00 N ATOM 0 H HIS A 91 -17.124 3.563 -1.553 1.00 0.00 H new ATOM 0 HA HIS A 91 -17.714 5.871 -3.022 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -18.199 3.439 -3.584 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -19.538 3.506 -2.456 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -19.006 6.596 -4.783 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -22.381 4.449 -6.194 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -21.021 6.587 -6.435 1.00 0.00 H new ATOM 1391 N HIS A 92 -19.896 5.276 -0.596 1.00 0.00 N ATOM 1392 CA HIS A 92 -20.883 5.913 0.270 1.00 0.00 C ATOM 1393 C HIS A 92 -20.268 7.092 1.017 1.00 0.00 C ATOM 1394 O HIS A 92 -20.787 8.208 0.971 1.00 0.00 O ATOM 1395 CB HIS A 92 -21.446 4.899 1.266 1.00 0.00 C ATOM 1396 CG HIS A 92 -22.374 5.503 2.275 1.00 0.00 C ATOM 1397 ND1 HIS A 92 -23.693 5.126 2.406 1.00 0.00 N ATOM 1398 CD2 HIS A 92 -22.165 6.463 3.207 1.00 0.00 C ATOM 1399 CE1 HIS A 92 -24.256 5.829 3.373 1.00 0.00 C ATOM 1400 NE2 HIS A 92 -23.349 6.647 3.875 1.00 0.00 N ATOM 0 H HIS A 92 -19.793 4.272 -0.452 1.00 0.00 H new ATOM 0 HA HIS A 92 -21.694 6.286 -0.355 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -21.975 4.119 0.718 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -20.619 4.417 1.788 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -21.238 6.987 3.390 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -25.283 5.748 3.697 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -23.504 7.308 4.636 1.00 0.00 H new ATOM 1409 N HIS A 93 -19.162 6.837 1.708 1.00 0.00 N ATOM 1410 CA HIS A 93 -18.476 7.878 2.466 1.00 0.00 C ATOM 1411 C HIS A 93 -18.185 9.089 1.586 1.00 0.00 C ATOM 1412 O HIS A 93 -18.442 10.228 1.975 1.00 0.00 O ATOM 1413 CB HIS A 93 -17.175 7.335 3.057 1.00 0.00 C ATOM 1414 CG HIS A 93 -17.367 6.569 4.329 1.00 0.00 C ATOM 1415 ND1 HIS A 93 -18.263 6.947 5.306 1.00 0.00 N ATOM 1416 CD2 HIS A 93 -16.774 5.439 4.780 1.00 0.00 C ATOM 1417 CE1 HIS A 93 -18.211 6.083 6.305 1.00 0.00 C ATOM 1418 NE2 HIS A 93 -17.315 5.158 6.010 1.00 0.00 N ATOM 0 H HIS A 93 -18.721 5.919 1.759 1.00 0.00 H new ATOM 0 HA HIS A 93 -19.131 8.192 3.279 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -16.694 6.689 2.323 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -16.495 8.167 3.243 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -16.016 4.865 4.267 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -18.801 6.126 7.209 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -17.066 4.364 6.600 1.00 0.00 H new ATOM 1427 N SER A 94 -17.645 8.835 0.398 1.00 0.00 N ATOM 1428 CA SER A 94 -17.314 9.904 -0.536 1.00 0.00 C ATOM 1429 C SER A 94 -18.338 11.033 -0.455 1.00 0.00 C ATOM 1430 O SER A 94 -17.986 12.212 -0.508 1.00 0.00 O ATOM 1431 CB SER A 94 -17.249 9.361 -1.964 1.00 0.00 C ATOM 1432 OG SER A 94 -16.869 10.375 -2.879 1.00 0.00 O ATOM 0 H SER A 94 -17.428 7.898 0.060 1.00 0.00 H new ATOM 0 HA SER A 94 -16.337 10.302 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.536 8.538 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.221 8.957 -2.247 1.00 0.00 H new ATOM 0 HG SER A 94 -16.334 11.051 -2.414 1.00 0.00 H new ATOM 1438 N THR A 95 -19.608 10.663 -0.324 1.00 0.00 N ATOM 1439 CA THR A 95 -20.683 11.642 -0.238 1.00 0.00 C ATOM 1440 C THR A 95 -20.696 12.326 1.125 1.00 0.00 C ATOM 1441 O THR A 95 -20.572 13.546 1.220 1.00 0.00 O ATOM 1442 CB THR A 95 -22.058 10.991 -0.485 1.00 0.00 C ATOM 1443 OG1 THR A 95 -22.076 10.362 -1.771 1.00 0.00 O ATOM 1444 CG2 THR A 95 -23.169 12.026 -0.404 1.00 0.00 C ATOM 0 H THR A 95 -19.917 9.692 -0.275 1.00 0.00 H new ATOM 0 HA THR A 95 -20.496 12.385 -1.013 1.00 0.00 H new ATOM 0 HB THR A 95 -22.226 10.241 0.288 1.00 0.00 H new ATOM 0 HG1 THR A 95 -22.952 9.949 -1.921 1.00 0.00 H new ATOM 0 HG21 THR A 95 -24.130 11.543 -0.582 1.00 0.00 H new ATOM 0 HG22 THR A 95 -23.170 12.482 0.586 1.00 0.00 H new ATOM 0 HG23 THR A 95 -23.005 12.796 -1.158 1.00 0.00 H new ATOM 1452 N VAL A 96 -20.847 11.529 2.180 1.00 0.00 N ATOM 1453 CA VAL A 96 -20.873 12.058 3.538 1.00 0.00 C ATOM 1454 C VAL A 96 -19.832 11.371 4.415 1.00 0.00 C ATOM 1455 O VAL A 96 -19.669 10.153 4.365 1.00 0.00 O ATOM 1456 CB VAL A 96 -22.262 11.886 4.180 1.00 0.00 C ATOM 1457 CG1 VAL A 96 -22.626 10.412 4.281 1.00 0.00 C ATOM 1458 CG2 VAL A 96 -22.303 12.547 5.549 1.00 0.00 C ATOM 0 H VAL A 96 -20.953 10.516 2.119 1.00 0.00 H new ATOM 0 HA VAL A 96 -20.642 13.121 3.469 1.00 0.00 H new ATOM 0 HB VAL A 96 -22.999 12.375 3.543 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -23.611 10.311 4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -22.641 9.972 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -21.887 9.896 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -23.292 12.415 5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -21.555 12.089 6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -22.091 13.611 5.446 1.00 0.00 H new ATOM 1468 N ALA A 97 -19.130 12.162 5.220 1.00 0.00 N ATOM 1469 CA ALA A 97 -18.106 11.631 6.111 1.00 0.00 C ATOM 1470 C ALA A 97 -18.668 10.522 6.994 1.00 0.00 C ATOM 1471 O ALA A 97 -18.066 9.457 7.129 1.00 0.00 O ATOM 1472 CB ALA A 97 -17.521 12.745 6.966 1.00 0.00 C ATOM 0 H ALA A 97 -19.252 13.173 5.273 1.00 0.00 H new ATOM 0 HA ALA A 97 -17.312 11.204 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -16.758 12.334 7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -17.074 13.502 6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -18.312 13.199 7.563 1.00 0.00 H new ATOM 1478 N ASP A 98 -19.825 10.779 7.593 1.00 0.00 N ATOM 1479 CA ASP A 98 -20.470 9.803 8.464 1.00 0.00 C ATOM 1480 C ASP A 98 -19.498 9.298 9.526 1.00 0.00 C ATOM 1481 O ASP A 98 -19.478 8.112 9.850 1.00 0.00 O ATOM 1482 CB ASP A 98 -21.002 8.628 7.642 1.00 0.00 C ATOM 1483 CG ASP A 98 -22.078 7.850 8.373 1.00 0.00 C ATOM 1484 OD1 ASP A 98 -21.763 6.776 8.927 1.00 0.00 O ATOM 1485 OD2 ASP A 98 -23.236 8.316 8.391 1.00 0.00 O ATOM 0 H ASP A 98 -20.336 11.656 7.491 1.00 0.00 H new ATOM 0 HA ASP A 98 -21.305 10.294 8.964 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -21.404 9.000 6.700 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -20.178 7.959 7.395 1.00 0.00 H new ATOM 1491 N GLY A 99 -18.693 10.208 10.066 1.00 0.00 N ATOM 1492 CA GLY A 99 -17.729 9.836 11.086 1.00 0.00 C ATOM 1493 C GLY A 99 -16.306 10.174 10.688 1.00 0.00 C ATOM 1494 O GLY A 99 -15.568 10.790 11.459 1.00 0.00 O ATOM 0 H GLY A 99 -18.691 11.197 9.815 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -17.974 10.347 12.017 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.805 8.766 11.280 1.00 0.00 H new ATOM 1498 N LEU A 100 -15.918 9.769 9.485 1.00 0.00 N ATOM 1499 CA LEU A 100 -14.572 10.031 8.987 1.00 0.00 C ATOM 1500 C LEU A 100 -14.191 11.494 9.190 1.00 0.00 C ATOM 1501 O LEU A 100 -15.018 12.312 9.594 1.00 0.00 O ATOM 1502 CB LEU A 100 -14.475 9.669 7.504 1.00 0.00 C ATOM 1503 CG LEU A 100 -14.454 8.175 7.177 1.00 0.00 C ATOM 1504 CD1 LEU A 100 -14.462 7.957 5.672 1.00 0.00 C ATOM 1505 CD2 LEU A 100 -13.241 7.508 7.809 1.00 0.00 C ATOM 0 H LEU A 100 -16.516 9.258 8.836 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.876 9.411 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -15.319 10.122 6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.570 10.122 7.099 1.00 0.00 H new ATOM 0 HG LEU A 100 -15.352 7.719 7.593 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -14.447 6.888 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -15.362 8.399 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.583 8.427 5.232 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.242 6.445 7.566 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.331 7.967 7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.280 7.633 8.891 1.00 0.00 H new ATOM 1517 N VAL A 101 -12.933 11.819 8.905 1.00 0.00 N ATOM 1518 CA VAL A 101 -12.443 13.183 9.054 1.00 0.00 C ATOM 1519 C VAL A 101 -13.052 14.103 8.001 1.00 0.00 C ATOM 1520 O VAL A 101 -13.273 15.289 8.249 1.00 0.00 O ATOM 1521 CB VAL A 101 -10.908 13.243 8.947 1.00 0.00 C ATOM 1522 CG1 VAL A 101 -10.448 12.752 7.582 1.00 0.00 C ATOM 1523 CG2 VAL A 101 -10.412 14.658 9.209 1.00 0.00 C ATOM 0 H VAL A 101 -12.235 11.155 8.570 1.00 0.00 H new ATOM 0 HA VAL A 101 -12.743 13.521 10.046 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.482 12.586 9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.361 12.802 7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.772 11.721 7.438 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -10.881 13.381 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.325 14.683 9.130 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -10.845 15.337 8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -10.710 14.968 10.211 1.00 0.00 H new ATOM 1533 N THR A 102 -13.323 13.549 6.823 1.00 0.00 N ATOM 1534 CA THR A 102 -13.906 14.319 5.732 1.00 0.00 C ATOM 1535 C THR A 102 -14.583 13.406 4.716 1.00 0.00 C ATOM 1536 O THR A 102 -14.652 12.191 4.906 1.00 0.00 O ATOM 1537 CB THR A 102 -12.840 15.168 5.013 1.00 0.00 C ATOM 1538 OG1 THR A 102 -11.859 14.316 4.412 1.00 0.00 O ATOM 1539 CG2 THR A 102 -12.164 16.125 5.983 1.00 0.00 C ATOM 0 H THR A 102 -13.148 12.569 6.601 1.00 0.00 H new ATOM 0 HA THR A 102 -14.651 14.981 6.174 1.00 0.00 H new ATOM 0 HB THR A 102 -13.336 15.753 4.238 1.00 0.00 H new ATOM 0 HG1 THR A 102 -11.186 14.863 3.956 1.00 0.00 H new ATOM 0 HG21 THR A 102 -11.416 16.713 5.452 1.00 0.00 H new ATOM 0 HG22 THR A 102 -12.910 16.792 6.415 1.00 0.00 H new ATOM 0 HG23 THR A 102 -11.681 15.557 6.778 1.00 0.00 H new ATOM 1547 N THR A 103 -15.083 13.999 3.636 1.00 0.00 N ATOM 1548 CA THR A 103 -15.756 13.239 2.591 1.00 0.00 C ATOM 1549 C THR A 103 -14.797 12.895 1.457 1.00 0.00 C ATOM 1550 O THR A 103 -14.375 13.769 0.699 1.00 0.00 O ATOM 1551 CB THR A 103 -16.955 14.018 2.013 1.00 0.00 C ATOM 1552 OG1 THR A 103 -16.583 15.377 1.766 1.00 0.00 O ATOM 1553 CG2 THR A 103 -18.137 13.976 2.971 1.00 0.00 C ATOM 0 H THR A 103 -15.034 15.003 3.463 1.00 0.00 H new ATOM 0 HA THR A 103 -16.116 12.319 3.052 1.00 0.00 H new ATOM 0 HB THR A 103 -17.249 13.547 1.075 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.704 15.402 1.334 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.972 14.532 2.544 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.436 12.941 3.135 1.00 0.00 H new ATOM 0 HG23 THR A 103 -17.851 14.426 3.922 1.00 0.00 H new ATOM 1561 N LEU A 104 -14.455 11.616 1.347 1.00 0.00 N ATOM 1562 CA LEU A 104 -13.545 11.155 0.304 1.00 0.00 C ATOM 1563 C LEU A 104 -13.935 11.729 -1.054 1.00 0.00 C ATOM 1564 O LEU A 104 -14.870 11.251 -1.697 1.00 0.00 O ATOM 1565 CB LEU A 104 -13.542 9.626 0.241 1.00 0.00 C ATOM 1566 CG LEU A 104 -13.279 8.901 1.562 1.00 0.00 C ATOM 1567 CD1 LEU A 104 -13.498 7.404 1.401 1.00 0.00 C ATOM 1568 CD2 LEU A 104 -11.866 9.185 2.054 1.00 0.00 C ATOM 0 H LEU A 104 -14.794 10.880 1.967 1.00 0.00 H new ATOM 0 HA LEU A 104 -12.543 11.505 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.506 9.296 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.786 9.313 -0.479 1.00 0.00 H new ATOM 0 HG LEU A 104 -13.983 9.273 2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -13.306 6.904 2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -14.527 7.218 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -12.817 7.016 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -11.696 8.661 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -11.146 8.840 1.312 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -11.743 10.257 2.208 1.00 0.00 H new ATOM 1580 N HIS A 105 -13.212 12.759 -1.485 1.00 0.00 N ATOM 1581 CA HIS A 105 -13.481 13.397 -2.769 1.00 0.00 C ATOM 1582 C HIS A 105 -12.358 13.117 -3.762 1.00 0.00 C ATOM 1583 O HIS A 105 -12.602 12.648 -4.874 1.00 0.00 O ATOM 1584 CB HIS A 105 -13.651 14.906 -2.585 1.00 0.00 C ATOM 1585 CG HIS A 105 -14.984 15.295 -2.024 1.00 0.00 C ATOM 1586 ND1 HIS A 105 -15.205 16.489 -1.371 1.00 0.00 N ATOM 1587 CD2 HIS A 105 -16.169 14.641 -2.022 1.00 0.00 C ATOM 1588 CE1 HIS A 105 -16.469 16.552 -0.990 1.00 0.00 C ATOM 1589 NE2 HIS A 105 -17.075 15.443 -1.372 1.00 0.00 N ATOM 0 H HIS A 105 -12.437 13.169 -0.964 1.00 0.00 H new ATOM 0 HA HIS A 105 -14.406 12.980 -3.168 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -12.866 15.274 -1.924 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -13.513 15.399 -3.547 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -16.366 13.670 -2.451 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -16.928 17.371 -0.457 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -18.057 15.218 -1.211 1.00 0.00 H new ATOM 1598 N TYR A 106 -11.128 13.406 -3.353 1.00 0.00 N ATOM 1599 CA TYR A 106 -9.967 13.188 -4.208 1.00 0.00 C ATOM 1600 C TYR A 106 -9.186 11.956 -3.762 1.00 0.00 C ATOM 1601 O TYR A 106 -8.311 12.022 -2.898 1.00 0.00 O ATOM 1602 CB TYR A 106 -9.056 14.418 -4.190 1.00 0.00 C ATOM 1603 CG TYR A 106 -9.758 15.698 -4.580 1.00 0.00 C ATOM 1604 CD1 TYR A 106 -10.511 15.772 -5.746 1.00 0.00 C ATOM 1605 CD2 TYR A 106 -9.669 16.833 -3.785 1.00 0.00 C ATOM 1606 CE1 TYR A 106 -11.154 16.940 -6.108 1.00 0.00 C ATOM 1607 CE2 TYR A 106 -10.310 18.004 -4.137 1.00 0.00 C ATOM 1608 CZ TYR A 106 -11.051 18.053 -5.301 1.00 0.00 C ATOM 1609 OH TYR A 106 -11.690 19.219 -5.655 1.00 0.00 O ATOM 0 H TYR A 106 -10.909 13.792 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.322 13.022 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.636 14.534 -3.191 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.220 14.250 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.595 14.902 -6.380 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.088 16.799 -2.875 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.734 16.981 -7.018 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.232 18.877 -3.506 1.00 0.00 H new ATOM 0 HH TYR A 106 -11.516 19.906 -4.978 1.00 0.00 H new ATOM 1619 N PRO A 107 -9.508 10.803 -4.366 1.00 0.00 N ATOM 1620 CA PRO A 107 -8.848 9.532 -4.050 1.00 0.00 C ATOM 1621 C PRO A 107 -7.402 9.494 -4.532 1.00 0.00 C ATOM 1622 O PRO A 107 -6.493 9.169 -3.769 1.00 0.00 O ATOM 1623 CB PRO A 107 -9.690 8.498 -4.803 1.00 0.00 C ATOM 1624 CG PRO A 107 -10.307 9.258 -5.925 1.00 0.00 C ATOM 1625 CD PRO A 107 -10.540 10.650 -5.406 1.00 0.00 C ATOM 0 HA PRO A 107 -8.794 9.357 -2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -9.074 7.678 -5.172 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -10.450 8.060 -4.156 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -9.650 9.271 -6.795 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.243 8.797 -6.240 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -10.431 11.396 -6.193 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -11.544 10.763 -4.996 1.00 0.00 H new ATOM 1633 N ALA A 108 -7.197 9.828 -5.801 1.00 0.00 N ATOM 1634 CA ALA A 108 -5.860 9.835 -6.383 1.00 0.00 C ATOM 1635 C ALA A 108 -5.811 10.704 -7.636 1.00 0.00 C ATOM 1636 O ALA A 108 -6.805 10.875 -8.340 1.00 0.00 O ATOM 1637 CB ALA A 108 -5.418 8.415 -6.705 1.00 0.00 C ATOM 0 H ALA A 108 -7.939 10.097 -6.446 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.174 10.261 -5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.418 8.435 -7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.405 7.822 -5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.114 7.970 -7.416 1.00 0.00 H new