USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 668 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 59 LYS NZ :NH3+ -124:sc= 0.0736 (180deg=0) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0.167 USER MOD Set 2.1: A 43 TYR OH : rot 80:sc= -0.0813 USER MOD Set 2.2: A 64 MET CE :methyl -164:sc= -2.22 (180deg=-1.12) USER MOD Set 2.3: A 80 GLN : amide:sc= -3.47! C(o=-5.8!,f=-9.9!) USER MOD Set 3.1: A 33 TYR OH : rot 180:sc= 0.307 USER MOD Set 3.2: A 42 GLN : amide:sc= 0.348 X(o=0.66,f=0.62) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.164 X(o=-0.16,f=-0.29) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -72:sc= 0.684 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD Single : A 78 MET CE :methyl 169:sc= -0.101 (180deg=-0.356) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 1.05 K(o=1.1,f=-0.0029) USER MOD Single : A 86 HIS : no HD1:sc= -0.0658 K(o=-0.066,f=-0.85) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 1.08 (180deg=1.05) USER MOD Single : A 93 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.899) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 -10.930 11.097 7.270 1.00 0.00 N ATOM 175 CA LEU A 14 -9.709 11.842 7.591 1.00 0.00 C ATOM 176 C LEU A 14 -9.063 12.440 6.330 1.00 0.00 C ATOM 177 O LEU A 14 -8.253 13.364 6.429 1.00 0.00 O ATOM 178 CB LEU A 14 -8.732 10.855 8.252 1.00 0.00 C ATOM 179 CG LEU A 14 -9.275 10.196 9.542 1.00 0.00 C ATOM 180 CD1 LEU A 14 -8.780 8.748 9.594 1.00 0.00 C ATOM 181 CD2 LEU A 14 -8.847 10.979 10.790 1.00 0.00 C ATOM 0 HA LEU A 14 -9.951 12.672 8.255 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.482 10.073 7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.806 11.380 8.487 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.365 10.207 9.527 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.154 8.268 10.498 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.143 8.208 8.720 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.690 8.736 9.601 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.244 10.491 11.680 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.759 11.007 10.847 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -9.233 11.997 10.731 1.00 0.00 H new ATOM 193 N LEU A 15 -9.406 11.895 5.154 1.00 0.00 N ATOM 194 CA LEU A 15 -8.796 12.240 3.865 1.00 0.00 C ATOM 195 C LEU A 15 -9.311 13.566 3.282 1.00 0.00 C ATOM 196 O LEU A 15 -10.188 14.241 3.821 1.00 0.00 O ATOM 197 CB LEU A 15 -8.995 11.102 2.838 1.00 0.00 C ATOM 198 CG LEU A 15 -8.688 9.670 3.318 1.00 0.00 C ATOM 199 CD1 LEU A 15 -8.885 8.689 2.154 1.00 0.00 C ATOM 200 CD2 LEU A 15 -7.266 9.531 3.883 1.00 0.00 C ATOM 0 H LEU A 15 -10.133 11.185 5.073 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.733 12.372 4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.029 11.131 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.367 11.312 1.972 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.379 9.439 4.129 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.668 7.676 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.916 8.742 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.211 8.952 1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.102 8.503 4.207 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.541 9.788 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.145 10.203 4.733 1.00 0.00 H new ATOM 212 N SER A 16 -8.760 13.908 2.123 1.00 0.00 N ATOM 213 CA SER A 16 -9.077 15.082 1.323 1.00 0.00 C ATOM 214 C SER A 16 -10.205 14.812 0.311 1.00 0.00 C ATOM 215 O SER A 16 -10.368 13.672 -0.140 1.00 0.00 O ATOM 216 CB SER A 16 -7.799 15.475 0.578 1.00 0.00 C ATOM 217 OG SER A 16 -6.857 16.086 1.448 1.00 0.00 O ATOM 0 H SER A 16 -8.034 13.336 1.691 1.00 0.00 H new ATOM 0 HA SER A 16 -9.429 15.880 1.977 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.355 14.590 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.045 16.161 -0.233 1.00 0.00 H new ATOM 0 HG SER A 16 -6.051 16.324 0.943 1.00 0.00 H new ATOM 223 N PRO A 17 -10.931 15.861 -0.130 1.00 0.00 N ATOM 224 CA PRO A 17 -12.010 15.757 -1.113 1.00 0.00 C ATOM 225 C PRO A 17 -11.534 15.237 -2.477 1.00 0.00 C ATOM 226 O PRO A 17 -12.340 14.709 -3.236 1.00 0.00 O ATOM 227 CB PRO A 17 -12.604 17.166 -1.215 1.00 0.00 C ATOM 228 CG PRO A 17 -11.432 18.075 -0.846 1.00 0.00 C ATOM 229 CD PRO A 17 -10.689 17.257 0.205 1.00 0.00 C ATOM 0 HA PRO A 17 -12.752 15.024 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.973 17.374 -2.219 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -13.444 17.298 -0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -10.802 18.293 -1.708 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -11.771 19.032 -0.449 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.623 17.482 0.193 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -11.052 17.487 1.207 1.00 0.00 H new ATOM 237 N GLU A 18 -10.233 15.332 -2.773 1.00 0.00 N ATOM 238 CA GLU A 18 -9.627 14.814 -4.004 1.00 0.00 C ATOM 239 C GLU A 18 -9.328 13.306 -3.916 1.00 0.00 C ATOM 240 O GLU A 18 -9.452 12.595 -4.912 1.00 0.00 O ATOM 241 CB GLU A 18 -8.331 15.585 -4.315 1.00 0.00 C ATOM 242 CG GLU A 18 -8.526 17.107 -4.340 1.00 0.00 C ATOM 243 CD GLU A 18 -7.262 17.817 -4.850 1.00 0.00 C ATOM 244 OE1 GLU A 18 -6.359 18.115 -4.034 1.00 0.00 O ATOM 245 OE2 GLU A 18 -7.167 18.089 -6.072 1.00 0.00 O ATOM 0 H GLU A 18 -9.559 15.780 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.348 14.959 -4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.578 15.334 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.944 15.259 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.372 17.358 -4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.768 17.463 -3.338 1.00 0.00 H new ATOM 252 N GLU A 19 -8.977 12.802 -2.728 1.00 0.00 N ATOM 253 CA GLU A 19 -8.625 11.396 -2.481 1.00 0.00 C ATOM 254 C GLU A 19 -9.845 10.480 -2.605 1.00 0.00 C ATOM 255 O GLU A 19 -9.813 9.449 -3.277 1.00 0.00 O ATOM 256 CB GLU A 19 -8.082 11.249 -1.052 1.00 0.00 C ATOM 257 CG GLU A 19 -6.637 11.712 -0.871 1.00 0.00 C ATOM 258 CD GLU A 19 -5.641 10.891 -1.710 1.00 0.00 C ATOM 259 OE1 GLU A 19 -5.470 9.681 -1.440 1.00 0.00 O ATOM 260 OE2 GLU A 19 -5.020 11.462 -2.638 1.00 0.00 O ATOM 0 H GLU A 19 -8.928 13.376 -1.886 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.880 11.110 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.720 11.817 -0.375 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.155 10.203 -0.755 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.559 12.763 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.366 11.639 0.182 1.00 0.00 H new ATOM 267 N LEU A 20 -10.927 10.880 -1.940 1.00 0.00 N ATOM 268 CA LEU A 20 -12.198 10.157 -1.860 1.00 0.00 C ATOM 269 C LEU A 20 -12.828 10.056 -3.247 1.00 0.00 C ATOM 270 O LEU A 20 -13.185 8.970 -3.702 1.00 0.00 O ATOM 271 CB LEU A 20 -13.128 10.918 -0.902 1.00 0.00 C ATOM 272 CG LEU A 20 -12.538 11.125 0.511 1.00 0.00 C ATOM 273 CD1 LEU A 20 -13.100 12.425 1.086 1.00 0.00 C ATOM 274 CD2 LEU A 20 -12.814 9.917 1.414 1.00 0.00 C ATOM 0 H LEU A 20 -10.944 11.756 -1.418 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.034 9.146 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.361 11.891 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.069 10.374 -0.816 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.453 11.208 0.452 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.694 12.587 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.821 13.258 0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.186 12.358 1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.386 10.095 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -13.890 9.770 1.507 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -12.363 9.026 0.978 1.00 0.00 H new ATOM 286 N LYS A 21 -12.896 11.190 -3.951 1.00 0.00 N ATOM 287 CA LYS A 21 -13.312 11.232 -5.361 1.00 0.00 C ATOM 288 C LYS A 21 -12.411 10.372 -6.270 1.00 0.00 C ATOM 289 O LYS A 21 -12.940 9.638 -7.104 1.00 0.00 O ATOM 290 CB LYS A 21 -13.388 12.693 -5.845 1.00 0.00 C ATOM 291 CG LYS A 21 -14.757 13.364 -5.625 1.00 0.00 C ATOM 292 CD LYS A 21 -15.339 13.238 -4.208 1.00 0.00 C ATOM 293 CE LYS A 21 -16.594 14.115 -4.081 1.00 0.00 C ATOM 294 NZ LYS A 21 -17.197 14.026 -2.725 1.00 0.00 N ATOM 0 H LYS A 21 -12.665 12.105 -3.563 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.307 10.792 -5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.624 13.275 -5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.148 12.724 -6.908 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.666 14.423 -5.868 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.469 12.935 -6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.588 12.198 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.596 13.542 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.336 15.152 -4.296 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.328 13.808 -4.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.041 14.632 -2.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.467 13.041 -2.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.505 14.343 -2.016 1.00 0.00 H new ATOM 308 N ALA A 22 -11.084 10.381 -6.086 1.00 0.00 N ATOM 309 CA ALA A 22 -10.166 9.550 -6.877 1.00 0.00 C ATOM 310 C ALA A 22 -10.366 8.040 -6.627 1.00 0.00 C ATOM 311 O ALA A 22 -10.402 7.261 -7.580 1.00 0.00 O ATOM 312 CB ALA A 22 -8.722 9.994 -6.603 1.00 0.00 C ATOM 0 H ALA A 22 -10.618 10.961 -5.388 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.390 9.698 -7.933 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.036 9.381 -7.187 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.603 11.040 -6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.500 9.876 -5.542 1.00 0.00 H new ATOM 391 N GLU A 29 -12.954 1.678 -3.013 1.00 0.00 N ATOM 392 CA GLU A 29 -12.184 0.766 -2.153 1.00 0.00 C ATOM 393 C GLU A 29 -10.680 1.061 -2.273 1.00 0.00 C ATOM 394 O GLU A 29 -10.301 1.985 -2.986 1.00 0.00 O ATOM 395 CB GLU A 29 -12.468 -0.697 -2.536 1.00 0.00 C ATOM 396 CG GLU A 29 -12.883 -1.567 -1.338 1.00 0.00 C ATOM 397 CD GLU A 29 -14.210 -1.135 -0.692 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.283 -1.330 -1.310 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.187 -0.655 0.466 1.00 0.00 O ATOM 0 HA GLU A 29 -12.491 0.924 -1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.258 -0.723 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.577 -1.125 -2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.968 -2.603 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.095 -1.534 -0.586 1.00 0.00 H new ATOM 406 N TYR A 30 -9.828 0.275 -1.601 1.00 0.00 N ATOM 407 CA TYR A 30 -8.362 0.412 -1.596 1.00 0.00 C ATOM 408 C TYR A 30 -7.653 -0.761 -0.896 1.00 0.00 C ATOM 409 O TYR A 30 -8.193 -1.363 0.036 1.00 0.00 O ATOM 410 CB TYR A 30 -7.937 1.737 -0.938 1.00 0.00 C ATOM 411 CG TYR A 30 -8.234 1.800 0.549 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.559 1.979 0.995 1.00 0.00 C ATOM 413 CD2 TYR A 30 -7.197 1.612 1.483 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.845 2.006 2.373 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.476 1.628 2.862 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.801 1.835 3.311 1.00 0.00 C ATOM 417 OH TYR A 30 -9.065 1.853 4.648 1.00 0.00 O ATOM 0 H TYR A 30 -10.151 -0.502 -1.025 1.00 0.00 H new ATOM 0 HA TYR A 30 -8.054 0.405 -2.642 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.868 1.883 -1.093 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.447 2.561 -1.437 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -10.357 2.096 0.277 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.185 1.455 1.140 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.859 2.157 2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.679 1.482 3.577 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.233 1.719 5.148 1.00 0.00 H new ATOM 427 N ALA A 31 -6.425 -1.060 -1.329 1.00 0.00 N ATOM 428 CA ALA A 31 -5.565 -2.107 -0.774 1.00 0.00 C ATOM 429 C ALA A 31 -4.072 -1.816 -0.988 1.00 0.00 C ATOM 430 O ALA A 31 -3.675 -1.156 -1.950 1.00 0.00 O ATOM 431 CB ALA A 31 -5.959 -3.458 -1.394 1.00 0.00 C ATOM 0 H ALA A 31 -5.987 -0.561 -2.104 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.715 -2.137 0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.324 -4.244 -0.987 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.001 -3.676 -1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.832 -3.413 -2.476 1.00 0.00 H new ATOM 437 N TRP A 32 -3.252 -2.366 -0.091 1.00 0.00 N ATOM 438 CA TRP A 32 -1.791 -2.416 -0.192 1.00 0.00 C ATOM 439 C TRP A 32 -1.328 -3.808 -0.653 1.00 0.00 C ATOM 440 O TRP A 32 -1.921 -4.825 -0.279 1.00 0.00 O ATOM 441 CB TRP A 32 -1.177 -2.068 1.173 1.00 0.00 C ATOM 442 CG TRP A 32 -1.237 -0.627 1.569 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.332 0.038 1.999 1.00 0.00 C ATOM 444 CD2 TRP A 32 -0.155 0.354 1.559 1.00 0.00 C ATOM 445 NE1 TRP A 32 -2.010 1.358 2.237 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.683 1.615 1.970 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.222 0.296 1.242 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.114 2.771 2.037 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.021 1.453 1.297 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.467 2.678 1.687 1.00 0.00 C ATOM 0 H TRP A 32 -3.601 -2.807 0.760 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.457 -1.690 -0.933 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.684 -2.656 1.938 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -0.133 -2.381 1.170 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.311 -0.398 2.136 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.673 2.058 2.570 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.665 -0.646 0.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.309 3.713 2.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.068 1.396 1.037 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.089 3.560 1.718 1.00 0.00 H new ATOM 461 N TYR A 33 -0.224 -3.859 -1.404 1.00 0.00 N ATOM 462 CA TYR A 33 0.418 -5.097 -1.870 1.00 0.00 C ATOM 463 C TYR A 33 1.951 -5.017 -1.799 1.00 0.00 C ATOM 464 O TYR A 33 2.526 -3.943 -1.971 1.00 0.00 O ATOM 465 CB TYR A 33 0.005 -5.406 -3.319 1.00 0.00 C ATOM 466 CG TYR A 33 -1.443 -5.797 -3.539 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.441 -4.805 -3.617 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.786 -7.152 -3.721 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.781 -5.165 -3.846 1.00 0.00 C ATOM 470 CE2 TYR A 33 -3.128 -7.517 -3.949 1.00 0.00 C ATOM 471 CZ TYR A 33 -4.129 -6.522 -4.010 1.00 0.00 C ATOM 472 OH TYR A 33 -5.425 -6.875 -4.234 1.00 0.00 O ATOM 0 H TYR A 33 0.263 -3.018 -1.715 1.00 0.00 H new ATOM 0 HA TYR A 33 0.082 -5.893 -1.205 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.218 -4.529 -3.929 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.637 -6.213 -3.689 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.176 -3.765 -3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.019 -7.912 -3.686 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.544 -4.402 -3.896 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.391 -8.557 -4.077 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.488 -7.849 -4.324 1.00 0.00 H new ATOM 482 N TYR A 34 2.616 -6.160 -1.609 1.00 0.00 N ATOM 483 CA TYR A 34 4.081 -6.300 -1.603 1.00 0.00 C ATOM 484 C TYR A 34 4.552 -7.452 -2.502 1.00 0.00 C ATOM 485 O TYR A 34 3.838 -8.443 -2.656 1.00 0.00 O ATOM 486 CB TYR A 34 4.581 -6.507 -0.163 1.00 0.00 C ATOM 487 CG TYR A 34 4.239 -7.846 0.472 1.00 0.00 C ATOM 488 CD1 TYR A 34 2.981 -8.044 1.076 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.182 -8.894 0.461 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.656 -9.287 1.648 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.866 -10.139 1.036 1.00 0.00 C ATOM 492 CZ TYR A 34 3.599 -10.341 1.628 1.00 0.00 C ATOM 493 OH TYR A 34 3.292 -11.550 2.177 1.00 0.00 O ATOM 0 H TYR A 34 2.136 -7.046 -1.449 1.00 0.00 H new ATOM 0 HA TYR A 34 4.504 -5.380 -2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.665 -6.389 -0.155 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.169 -5.715 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.263 -7.237 1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.151 -8.741 0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.688 -9.437 2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.591 -10.939 1.025 1.00 0.00 H new ATOM 0 HH TYR A 34 4.053 -12.158 2.075 1.00 0.00 H new ATOM 503 N GLU A 35 5.754 -7.341 -3.080 1.00 0.00 N ATOM 504 CA GLU A 35 6.371 -8.449 -3.815 1.00 0.00 C ATOM 505 C GLU A 35 6.940 -9.490 -2.837 1.00 0.00 C ATOM 506 O GLU A 35 7.940 -9.238 -2.158 1.00 0.00 O ATOM 507 CB GLU A 35 7.468 -7.961 -4.776 1.00 0.00 C ATOM 508 CG GLU A 35 6.918 -7.090 -5.910 1.00 0.00 C ATOM 509 CD GLU A 35 7.931 -6.990 -7.061 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.896 -6.198 -6.959 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.777 -7.717 -8.072 1.00 0.00 O ATOM 0 H GLU A 35 6.319 -6.492 -3.052 1.00 0.00 H new ATOM 0 HA GLU A 35 5.592 -8.915 -4.418 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.210 -7.393 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.981 -8.823 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.983 -7.512 -6.278 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.691 -6.093 -5.532 1.00 0.00 H new ATOM 518 N GLY A 36 6.311 -10.669 -2.788 1.00 0.00 N ATOM 519 CA GLY A 36 6.791 -11.856 -2.072 1.00 0.00 C ATOM 520 C GLY A 36 7.655 -12.747 -2.968 1.00 0.00 C ATOM 521 O GLY A 36 8.370 -12.256 -3.844 1.00 0.00 O ATOM 0 H GLY A 36 5.422 -10.829 -3.263 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.369 -11.547 -1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.939 -12.428 -1.703 1.00 0.00 H new ATOM 525 N ARG A 37 7.609 -14.067 -2.746 1.00 0.00 N ATOM 526 CA ARG A 37 8.379 -15.048 -3.532 1.00 0.00 C ATOM 527 C ARG A 37 7.810 -15.254 -4.949 1.00 0.00 C ATOM 528 O ARG A 37 8.570 -15.356 -5.913 1.00 0.00 O ATOM 529 CB ARG A 37 8.446 -16.373 -2.749 1.00 0.00 C ATOM 530 CG ARG A 37 9.410 -17.387 -3.389 1.00 0.00 C ATOM 531 CD ARG A 37 9.623 -18.633 -2.518 1.00 0.00 C ATOM 532 NE ARG A 37 8.399 -19.450 -2.384 1.00 0.00 N ATOM 533 CZ ARG A 37 7.979 -20.396 -3.219 1.00 0.00 C ATOM 534 NH1 ARG A 37 8.599 -20.664 -4.349 1.00 0.00 N ATOM 535 NH2 ARG A 37 6.908 -21.101 -2.918 1.00 0.00 N ATOM 0 H ARG A 37 7.036 -14.489 -2.015 1.00 0.00 H new ATOM 0 HA ARG A 37 9.386 -14.658 -3.677 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.763 -16.171 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.449 -16.809 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.019 -17.690 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.371 -16.905 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.416 -19.243 -2.951 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.960 -18.326 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 37 7.816 -19.270 -1.567 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.433 -20.138 -4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.246 -21.398 -4.963 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.406 -20.920 -2.049 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.581 -21.828 -3.554 1.00 0.00 H new ATOM 549 N ASN A 38 6.477 -15.305 -5.071 1.00 0.00 N ATOM 550 CA ASN A 38 5.765 -15.694 -6.302 1.00 0.00 C ATOM 551 C ASN A 38 5.033 -14.545 -7.040 1.00 0.00 C ATOM 552 O ASN A 38 4.580 -14.740 -8.169 1.00 0.00 O ATOM 553 CB ASN A 38 4.802 -16.846 -5.964 1.00 0.00 C ATOM 554 CG ASN A 38 5.515 -18.102 -5.463 1.00 0.00 C ATOM 555 OD1 ASN A 38 6.562 -18.496 -5.959 1.00 0.00 O ATOM 556 ND2 ASN A 38 4.972 -18.763 -4.456 1.00 0.00 N ATOM 0 H ASN A 38 5.848 -15.073 -4.303 1.00 0.00 H new ATOM 0 HA ASN A 38 6.525 -16.011 -7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.096 -16.510 -5.204 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.220 -17.096 -6.851 1.00 0.00 H new ATOM 0 HD21 ASN A 38 5.426 -19.601 -4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.099 -18.435 -4.042 1.00 0.00 H new ATOM 563 N GLY A 39 4.916 -13.357 -6.431 1.00 0.00 N ATOM 564 CA GLY A 39 4.248 -12.174 -7.004 1.00 0.00 C ATOM 565 C GLY A 39 3.747 -11.188 -5.949 1.00 0.00 C ATOM 566 O GLY A 39 4.216 -11.201 -4.809 1.00 0.00 O ATOM 0 H GLY A 39 5.293 -13.185 -5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.942 -11.661 -7.669 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.406 -12.501 -7.613 1.00 0.00 H new ATOM 570 N TRP A 40 2.802 -10.324 -6.331 1.00 0.00 N ATOM 571 CA TRP A 40 2.124 -9.389 -5.430 1.00 0.00 C ATOM 572 C TRP A 40 1.148 -10.108 -4.486 1.00 0.00 C ATOM 573 O TRP A 40 0.292 -10.869 -4.941 1.00 0.00 O ATOM 574 CB TRP A 40 1.367 -8.342 -6.257 1.00 0.00 C ATOM 575 CG TRP A 40 2.215 -7.517 -7.173 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.312 -7.693 -8.509 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.097 -6.398 -6.849 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.193 -6.771 -9.034 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.696 -5.934 -8.059 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.448 -5.726 -5.660 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.586 -4.851 -8.090 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.349 -4.642 -5.679 1.00 0.00 C ATOM 583 CH2 TRP A 40 4.909 -4.200 -6.890 1.00 0.00 C ATOM 0 H TRP A 40 2.480 -10.254 -7.296 1.00 0.00 H new ATOM 0 HA TRP A 40 2.883 -8.906 -4.815 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.608 -8.851 -6.851 1.00 0.00 H new ATOM 0 HB3 TRP A 40 0.842 -7.674 -5.574 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.781 -8.441 -9.079 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.442 -6.715 -10.021 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.020 -6.046 -4.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.017 -4.523 -9.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.611 -4.147 -4.756 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.588 -3.360 -6.897 1.00 0.00 H new ATOM 594 N TRP A 41 1.232 -9.807 -3.185 1.00 0.00 N ATOM 595 CA TRP A 41 0.357 -10.353 -2.139 1.00 0.00 C ATOM 596 C TRP A 41 -0.196 -9.235 -1.245 1.00 0.00 C ATOM 597 O TRP A 41 0.501 -8.260 -0.958 1.00 0.00 O ATOM 598 CB TRP A 41 1.125 -11.415 -1.339 1.00 0.00 C ATOM 599 CG TRP A 41 1.603 -12.559 -2.179 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.890 -12.918 -2.371 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.814 -13.439 -3.037 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.955 -13.933 -3.306 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.706 -14.258 -3.789 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.567 -13.590 -3.292 1.00 0.00 C ATOM 605 CZ2 TRP A 41 1.257 -15.147 -4.777 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.029 -14.485 -4.272 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.123 -15.259 -5.021 1.00 0.00 C ATOM 0 H TRP A 41 1.930 -9.159 -2.820 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.507 -10.833 -2.599 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.982 -10.946 -0.855 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.482 -11.799 -0.547 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.740 -12.479 -1.870 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.820 -14.386 -3.602 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.279 -13.009 -2.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.962 -15.738 -5.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.090 -14.580 -4.452 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.486 -15.936 -5.780 1.00 0.00 H new ATOM 618 N GLN A 42 -1.467 -9.352 -0.855 1.00 0.00 N ATOM 619 CA GLN A 42 -2.203 -8.309 -0.136 1.00 0.00 C ATOM 620 C GLN A 42 -1.895 -8.349 1.372 1.00 0.00 C ATOM 621 O GLN A 42 -1.767 -9.421 1.968 1.00 0.00 O ATOM 622 CB GLN A 42 -3.710 -8.483 -0.407 1.00 0.00 C ATOM 623 CG GLN A 42 -4.524 -7.221 -0.078 1.00 0.00 C ATOM 624 CD GLN A 42 -6.029 -7.456 -0.236 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.751 -7.720 0.718 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.570 -7.383 -1.436 1.00 0.00 N ATOM 0 H GLN A 42 -2.023 -10.188 -1.033 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.886 -7.330 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.858 -8.743 -1.455 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -4.087 -9.317 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.311 -6.907 0.944 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.213 -6.407 -0.733 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.989 -7.165 -2.245 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.570 -7.545 -1.555 1.00 0.00 H new ATOM 635 N TYR A 43 -1.803 -7.175 2.001 1.00 0.00 N ATOM 636 CA TYR A 43 -1.625 -7.028 3.454 1.00 0.00 C ATOM 637 C TYR A 43 -2.882 -7.365 4.283 1.00 0.00 C ATOM 638 O TYR A 43 -4.013 -7.354 3.789 1.00 0.00 O ATOM 639 CB TYR A 43 -1.181 -5.591 3.756 1.00 0.00 C ATOM 640 CG TYR A 43 0.280 -5.320 3.488 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.235 -5.551 4.495 1.00 0.00 C ATOM 642 CD2 TYR A 43 0.680 -4.816 2.240 1.00 0.00 C ATOM 643 CE1 TYR A 43 2.588 -5.255 4.258 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.025 -4.503 1.996 1.00 0.00 C ATOM 645 CZ TYR A 43 2.978 -4.723 3.011 1.00 0.00 C ATOM 646 OH TYR A 43 4.279 -4.429 2.773 1.00 0.00 O ATOM 0 H TYR A 43 -1.851 -6.282 1.510 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.867 -7.753 3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.781 -4.905 3.158 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.393 -5.371 4.802 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.929 -5.955 5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.054 -4.668 1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.325 -5.434 5.026 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.327 -4.098 1.041 1.00 0.00 H new ATOM 0 HH TYR A 43 4.764 -5.250 2.546 1.00 0.00 H new ATOM 656 N ASP A 44 -2.675 -7.604 5.581 1.00 0.00 N ATOM 657 CA ASP A 44 -3.735 -7.738 6.589 1.00 0.00 C ATOM 658 C ASP A 44 -4.398 -6.383 6.912 1.00 0.00 C ATOM 659 O ASP A 44 -3.775 -5.326 6.786 1.00 0.00 O ATOM 660 CB ASP A 44 -3.126 -8.389 7.839 1.00 0.00 C ATOM 661 CG ASP A 44 -4.166 -8.590 8.945 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.957 -9.559 8.859 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.220 -7.736 9.856 1.00 0.00 O ATOM 0 H ASP A 44 -1.739 -7.713 5.973 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.533 -8.370 6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.691 -9.352 7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.314 -7.766 8.214 1.00 0.00 H new ATOM 668 N GLU A 45 -5.659 -6.404 7.357 1.00 0.00 N ATOM 669 CA GLU A 45 -6.475 -5.212 7.620 1.00 0.00 C ATOM 670 C GLU A 45 -5.997 -4.402 8.836 1.00 0.00 C ATOM 671 O GLU A 45 -6.303 -3.213 8.937 1.00 0.00 O ATOM 672 CB GLU A 45 -7.960 -5.610 7.758 1.00 0.00 C ATOM 673 CG GLU A 45 -8.215 -6.765 8.744 1.00 0.00 C ATOM 674 CD GLU A 45 -9.711 -6.965 9.037 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.488 -7.263 8.099 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.107 -6.846 10.222 1.00 0.00 O ATOM 0 H GLU A 45 -6.155 -7.274 7.550 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.358 -4.549 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.529 -4.739 8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.341 -5.894 6.777 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.801 -7.687 8.335 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.688 -6.566 9.677 1.00 0.00 H new ATOM 683 N ARG A 46 -5.213 -5.011 9.737 1.00 0.00 N ATOM 684 CA ARG A 46 -4.634 -4.346 10.913 1.00 0.00 C ATOM 685 C ARG A 46 -3.206 -3.844 10.648 1.00 0.00 C ATOM 686 O ARG A 46 -2.701 -3.023 11.420 1.00 0.00 O ATOM 687 CB ARG A 46 -4.657 -5.281 12.136 1.00 0.00 C ATOM 688 CG ARG A 46 -5.968 -6.070 12.353 1.00 0.00 C ATOM 689 CD ARG A 46 -7.238 -5.214 12.226 1.00 0.00 C ATOM 690 NE ARG A 46 -8.463 -6.018 12.336 1.00 0.00 N ATOM 691 CZ ARG A 46 -9.072 -6.473 13.419 1.00 0.00 C ATOM 692 NH1 ARG A 46 -8.614 -6.276 14.638 1.00 0.00 N ATOM 693 NH2 ARG A 46 -10.183 -7.150 13.244 1.00 0.00 N ATOM 0 H ARG A 46 -4.959 -5.996 9.668 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.253 -3.474 11.125 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.838 -5.993 12.041 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.461 -4.687 13.028 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.016 -6.883 11.628 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.947 -6.526 13.343 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.237 -4.448 13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.230 -4.696 11.267 1.00 0.00 H new ATOM 0 HE ARG A 46 -8.908 -6.260 11.451 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.751 -5.751 14.780 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.122 -6.648 15.440 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.542 -7.306 12.302 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.687 -7.520 14.050 1.00 0.00 H new ATOM 707 N THR A 47 -2.579 -4.291 9.549 1.00 0.00 N ATOM 708 CA THR A 47 -1.256 -3.839 9.094 1.00 0.00 C ATOM 709 C THR A 47 -1.385 -2.736 8.056 1.00 0.00 C ATOM 710 O THR A 47 -0.839 -1.656 8.247 1.00 0.00 O ATOM 711 CB THR A 47 -0.415 -5.013 8.579 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.233 -5.908 9.654 1.00 0.00 O ATOM 713 CG2 THR A 47 0.956 -4.537 8.100 1.00 0.00 C ATOM 0 H THR A 47 -2.990 -4.996 8.936 1.00 0.00 H new ATOM 0 HA THR A 47 -0.729 -3.419 9.951 1.00 0.00 H new ATOM 0 HB THR A 47 -0.926 -5.486 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.301 -6.673 9.356 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.532 -5.390 7.740 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.829 -3.817 7.291 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.486 -4.064 8.927 1.00 0.00 H new ATOM 721 N SER A 48 -2.147 -2.961 6.986 1.00 0.00 N ATOM 722 CA SER A 48 -2.323 -1.984 5.895 1.00 0.00 C ATOM 723 C SER A 48 -2.887 -0.640 6.367 1.00 0.00 C ATOM 724 O SER A 48 -2.513 0.409 5.837 1.00 0.00 O ATOM 725 CB SER A 48 -3.223 -2.550 4.789 1.00 0.00 C ATOM 726 OG SER A 48 -4.498 -2.953 5.272 1.00 0.00 O ATOM 0 H SER A 48 -2.665 -3.828 6.844 1.00 0.00 H new ATOM 0 HA SER A 48 -1.323 -1.800 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.355 -1.797 4.012 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.728 -3.403 4.325 1.00 0.00 H new ATOM 0 HG SER A 48 -4.404 -3.774 5.799 1.00 0.00 H new ATOM 732 N ARG A 49 -3.702 -0.644 7.432 1.00 0.00 N ATOM 733 CA ARG A 49 -4.227 0.581 8.031 1.00 0.00 C ATOM 734 C ARG A 49 -3.124 1.479 8.597 1.00 0.00 C ATOM 735 O ARG A 49 -3.287 2.694 8.599 1.00 0.00 O ATOM 736 CB ARG A 49 -5.327 0.255 9.054 1.00 0.00 C ATOM 737 CG ARG A 49 -4.837 -0.277 10.415 1.00 0.00 C ATOM 738 CD ARG A 49 -4.326 0.755 11.442 1.00 0.00 C ATOM 739 NE ARG A 49 -5.204 1.934 11.580 1.00 0.00 N ATOM 740 CZ ARG A 49 -4.805 3.183 11.812 1.00 0.00 C ATOM 741 NH1 ARG A 49 -3.562 3.493 12.111 1.00 0.00 N ATOM 742 NH2 ARG A 49 -5.668 4.173 11.752 1.00 0.00 N ATOM 0 H ARG A 49 -4.012 -1.497 7.898 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.689 1.169 7.238 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.915 1.156 9.227 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.998 -0.484 8.616 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.656 -0.831 10.874 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.035 -0.991 10.228 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.227 0.270 12.413 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.330 1.086 11.148 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.208 1.777 11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.855 2.761 12.174 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.306 4.466 12.280 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.645 3.985 11.527 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.361 5.129 11.930 1.00 0.00 H new ATOM 756 N GLU A 50 -1.992 0.915 9.038 1.00 0.00 N ATOM 757 CA GLU A 50 -0.872 1.703 9.582 1.00 0.00 C ATOM 758 C GLU A 50 -0.169 2.469 8.452 1.00 0.00 C ATOM 759 O GLU A 50 0.235 3.622 8.612 1.00 0.00 O ATOM 760 CB GLU A 50 0.148 0.793 10.293 1.00 0.00 C ATOM 761 CG GLU A 50 -0.416 -0.021 11.469 1.00 0.00 C ATOM 762 CD GLU A 50 -0.613 0.841 12.726 1.00 0.00 C ATOM 763 OE1 GLU A 50 -1.556 1.665 12.753 1.00 0.00 O ATOM 764 OE2 GLU A 50 0.165 0.688 13.699 1.00 0.00 O ATOM 0 H GLU A 50 -1.825 -0.091 9.029 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.277 2.409 10.307 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.568 0.103 9.561 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.969 1.409 10.658 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.370 -0.463 11.180 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.261 -0.845 11.697 1.00 0.00 H new ATOM 771 N LEU A 51 -0.086 1.831 7.283 1.00 0.00 N ATOM 772 CA LEU A 51 0.519 2.355 6.062 1.00 0.00 C ATOM 773 C LEU A 51 -0.373 3.441 5.441 1.00 0.00 C ATOM 774 O LEU A 51 0.119 4.497 5.046 1.00 0.00 O ATOM 775 CB LEU A 51 0.748 1.178 5.090 1.00 0.00 C ATOM 776 CG LEU A 51 1.357 -0.101 5.704 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.475 -1.184 4.627 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.717 0.178 6.353 1.00 0.00 C ATOM 0 H LEU A 51 -0.458 0.889 7.158 1.00 0.00 H new ATOM 0 HA LEU A 51 1.477 2.824 6.286 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.208 0.918 4.634 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.402 1.518 4.287 1.00 0.00 H new ATOM 0 HG LEU A 51 0.693 -0.455 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.905 -2.086 5.063 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.486 -1.410 4.228 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.118 -0.828 3.822 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.115 -0.745 6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.407 0.561 5.601 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.597 0.917 7.146 1.00 0.00 H new ATOM 790 N GLU A 52 -1.689 3.202 5.433 1.00 0.00 N ATOM 791 CA GLU A 52 -2.716 4.166 5.028 1.00 0.00 C ATOM 792 C GLU A 52 -2.745 5.432 5.908 1.00 0.00 C ATOM 793 O GLU A 52 -3.040 6.525 5.426 1.00 0.00 O ATOM 794 CB GLU A 52 -4.097 3.484 5.077 1.00 0.00 C ATOM 795 CG GLU A 52 -5.160 4.196 4.222 1.00 0.00 C ATOM 796 CD GLU A 52 -4.878 4.090 2.715 1.00 0.00 C ATOM 797 OE1 GLU A 52 -4.129 3.179 2.298 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.374 4.928 1.929 1.00 0.00 O ATOM 0 H GLU A 52 -2.080 2.304 5.717 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.469 4.488 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.998 2.453 4.736 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.439 3.446 6.111 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.139 3.767 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.204 5.247 4.506 1.00 0.00 H new ATOM 805 N ASP A 53 -2.436 5.305 7.202 1.00 0.00 N ATOM 806 CA ASP A 53 -2.521 6.401 8.176 1.00 0.00 C ATOM 807 C ASP A 53 -1.277 7.293 8.118 1.00 0.00 C ATOM 808 O ASP A 53 -1.354 8.502 8.294 1.00 0.00 O ATOM 809 CB ASP A 53 -2.667 5.785 9.575 1.00 0.00 C ATOM 810 CG ASP A 53 -3.198 6.719 10.674 1.00 0.00 C ATOM 811 OD1 ASP A 53 -3.768 7.794 10.373 1.00 0.00 O ATOM 812 OD2 ASP A 53 -3.102 6.314 11.857 1.00 0.00 O ATOM 0 H ASP A 53 -2.115 4.427 7.609 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.381 7.028 7.943 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.334 4.926 9.503 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.693 5.408 9.887 1.00 0.00 H new ATOM 817 N ALA A 54 -0.125 6.692 7.840 1.00 0.00 N ATOM 818 CA ALA A 54 1.184 7.344 7.846 1.00 0.00 C ATOM 819 C ALA A 54 1.312 8.506 6.845 1.00 0.00 C ATOM 820 O ALA A 54 1.684 9.612 7.250 1.00 0.00 O ATOM 821 CB ALA A 54 2.231 6.254 7.628 1.00 0.00 C ATOM 0 H ALA A 54 -0.073 5.703 7.596 1.00 0.00 H new ATOM 0 HA ALA A 54 1.336 7.832 8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.226 6.700 7.626 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.164 5.520 8.431 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.051 5.763 6.672 1.00 0.00 H new ATOM 827 N PHE A 55 0.950 8.305 5.571 1.00 0.00 N ATOM 828 CA PHE A 55 0.963 9.395 4.583 1.00 0.00 C ATOM 829 C PHE A 55 -0.103 10.459 4.885 1.00 0.00 C ATOM 830 O PHE A 55 0.039 11.622 4.511 1.00 0.00 O ATOM 831 CB PHE A 55 0.832 8.840 3.154 1.00 0.00 C ATOM 832 CG PHE A 55 -0.565 8.456 2.704 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.444 9.450 2.229 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.976 7.110 2.715 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.728 9.103 1.774 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.253 6.764 2.241 1.00 0.00 C ATOM 837 CZ PHE A 55 -3.133 7.757 1.777 1.00 0.00 C ATOM 0 H PHE A 55 0.646 7.404 5.201 1.00 0.00 H new ATOM 0 HA PHE A 55 1.928 9.896 4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.221 9.586 2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.472 7.962 3.069 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.130 10.483 2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.311 6.344 3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.403 9.870 1.423 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.560 5.729 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.117 7.487 1.424 1.00 0.00 H new ATOM 847 N SER A 56 -1.156 10.060 5.597 1.00 0.00 N ATOM 848 CA SER A 56 -2.237 10.940 6.056 1.00 0.00 C ATOM 849 C SER A 56 -1.826 11.795 7.275 1.00 0.00 C ATOM 850 O SER A 56 -2.255 12.944 7.412 1.00 0.00 O ATOM 851 CB SER A 56 -3.474 10.083 6.369 1.00 0.00 C ATOM 852 OG SER A 56 -4.661 10.863 6.341 1.00 0.00 O ATOM 0 H SER A 56 -1.287 9.089 5.880 1.00 0.00 H new ATOM 0 HA SER A 56 -2.469 11.647 5.259 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.551 9.273 5.644 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.362 9.623 7.351 1.00 0.00 H new ATOM 0 HG SER A 56 -5.432 10.293 6.542 1.00 0.00 H new ATOM 858 N LYS A 57 -0.928 11.282 8.130 1.00 0.00 N ATOM 859 CA LYS A 57 -0.342 12.005 9.267 1.00 0.00 C ATOM 860 C LYS A 57 0.721 13.019 8.815 1.00 0.00 C ATOM 861 O LYS A 57 0.771 14.137 9.337 1.00 0.00 O ATOM 862 CB LYS A 57 0.289 10.988 10.232 1.00 0.00 C ATOM 863 CG LYS A 57 -0.736 10.201 11.064 1.00 0.00 C ATOM 864 CD LYS A 57 -0.183 8.831 11.481 1.00 0.00 C ATOM 865 CE LYS A 57 1.173 8.901 12.203 1.00 0.00 C ATOM 866 NZ LYS A 57 1.012 9.054 13.675 1.00 0.00 N ATOM 0 H LYS A 57 -0.581 10.327 8.046 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.136 12.563 9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.894 10.285 9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.964 11.513 10.907 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.003 10.773 11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.650 10.066 10.486 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.906 8.341 12.133 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.080 8.206 10.594 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.743 7.996 11.992 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.749 9.739 11.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.949 9.097 14.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.490 9.930 13.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.484 8.241 14.053 1.00 0.00 H new ATOM 880 N GLY A 58 1.564 12.630 7.847 1.00 0.00 N ATOM 881 CA GLY A 58 2.628 13.463 7.270 1.00 0.00 C ATOM 882 C GLY A 58 4.020 12.841 7.360 1.00 0.00 C ATOM 883 O GLY A 58 4.957 13.386 6.775 1.00 0.00 O ATOM 0 H GLY A 58 1.522 11.699 7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.395 13.658 6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.638 14.427 7.780 1.00 0.00 H new ATOM 887 N LYS A 59 4.184 11.711 8.063 1.00 0.00 N ATOM 888 CA LYS A 59 5.447 10.966 8.064 1.00 0.00 C ATOM 889 C LYS A 59 5.777 10.367 6.681 1.00 0.00 C ATOM 890 O LYS A 59 4.894 10.016 5.896 1.00 0.00 O ATOM 891 CB LYS A 59 5.470 9.905 9.184 1.00 0.00 C ATOM 892 CG LYS A 59 4.213 9.028 9.228 1.00 0.00 C ATOM 893 CD LYS A 59 4.396 7.747 10.052 1.00 0.00 C ATOM 894 CE LYS A 59 4.900 7.977 11.485 1.00 0.00 C ATOM 895 NZ LYS A 59 5.138 6.690 12.192 1.00 0.00 N ATOM 0 H LYS A 59 3.454 11.293 8.640 1.00 0.00 H new ATOM 0 HA LYS A 59 6.242 11.680 8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.343 9.267 9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.586 10.406 10.145 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.389 9.606 9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.930 8.760 8.210 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.443 7.219 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.098 7.094 9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.824 8.555 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.170 8.568 12.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.585 6.670 13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.846 5.900 11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.149 6.599 12.416 1.00 0.00 H new ATOM 909 N LYS A 60 7.076 10.217 6.405 1.00 0.00 N ATOM 910 CA LYS A 60 7.614 9.704 5.130 1.00 0.00 C ATOM 911 C LYS A 60 7.944 8.199 5.162 1.00 0.00 C ATOM 912 O LYS A 60 8.358 7.620 4.157 1.00 0.00 O ATOM 913 CB LYS A 60 8.803 10.590 4.701 1.00 0.00 C ATOM 914 CG LYS A 60 10.131 10.333 5.426 1.00 0.00 C ATOM 915 CD LYS A 60 11.196 11.350 4.992 1.00 0.00 C ATOM 916 CE LYS A 60 12.524 11.074 5.709 1.00 0.00 C ATOM 917 NZ LYS A 60 13.575 12.048 5.316 1.00 0.00 N ATOM 0 H LYS A 60 7.806 10.454 7.077 1.00 0.00 H new ATOM 0 HA LYS A 60 6.837 9.773 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.964 10.454 3.632 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.526 11.633 4.852 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.980 10.396 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.478 9.322 5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.340 11.297 3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.856 12.361 5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.371 11.119 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.860 10.063 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.457 11.829 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.739 11.987 4.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.266 13.010 5.561 1.00 0.00 H new ATOM 931 N ASN A 61 7.760 7.563 6.323 1.00 0.00 N ATOM 932 CA ASN A 61 7.973 6.136 6.572 1.00 0.00 C ATOM 933 C ASN A 61 7.399 5.739 7.940 1.00 0.00 C ATOM 934 O ASN A 61 7.338 6.568 8.852 1.00 0.00 O ATOM 935 CB ASN A 61 9.461 5.738 6.478 1.00 0.00 C ATOM 936 CG ASN A 61 10.313 6.364 7.575 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.679 7.617 7.400 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.633 5.745 8.584 1.00 0.00 N flip ATOM 0 H ASN A 61 7.442 8.056 7.157 1.00 0.00 H new ATOM 0 HA ASN A 61 7.445 5.592 5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.546 4.653 6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.851 6.038 5.506 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.340 4.775 8.702 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.192 6.200 9.306 1.00 0.00 H new ATOM 945 N THR A 62 6.996 4.475 8.079 1.00 0.00 N ATOM 946 CA THR A 62 6.355 3.909 9.279 1.00 0.00 C ATOM 947 C THR A 62 6.825 2.477 9.531 1.00 0.00 C ATOM 948 O THR A 62 7.674 1.973 8.804 1.00 0.00 O ATOM 949 CB THR A 62 4.833 4.085 9.204 1.00 0.00 C ATOM 950 OG1 THR A 62 4.331 3.981 10.517 1.00 0.00 O ATOM 951 CG2 THR A 62 4.126 3.082 8.289 1.00 0.00 C ATOM 0 H THR A 62 7.109 3.787 7.334 1.00 0.00 H new ATOM 0 HA THR A 62 6.671 4.464 10.163 1.00 0.00 H new ATOM 0 HB THR A 62 4.632 5.061 8.762 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.357 4.091 10.505 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.054 3.278 8.294 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.508 3.184 7.273 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.312 2.069 8.647 1.00 0.00 H new ATOM 959 N GLU A 63 6.316 1.828 10.574 1.00 0.00 N ATOM 960 CA GLU A 63 6.784 0.537 11.077 1.00 0.00 C ATOM 961 C GLU A 63 5.625 -0.443 11.291 1.00 0.00 C ATOM 962 O GLU A 63 4.517 -0.054 11.669 1.00 0.00 O ATOM 963 CB GLU A 63 7.537 0.760 12.393 1.00 0.00 C ATOM 964 CG GLU A 63 8.910 1.384 12.137 1.00 0.00 C ATOM 965 CD GLU A 63 9.679 1.634 13.438 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.270 2.513 14.234 1.00 0.00 O ATOM 967 OE2 GLU A 63 10.716 0.970 13.659 1.00 0.00 O ATOM 0 H GLU A 63 5.535 2.200 11.114 1.00 0.00 H new ATOM 0 HA GLU A 63 7.448 0.095 10.334 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.953 1.410 13.045 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.656 -0.190 12.914 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.493 0.726 11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.786 2.326 11.603 1.00 0.00 H new ATOM 974 N MET A 64 5.906 -1.729 11.064 1.00 0.00 N ATOM 975 CA MET A 64 4.925 -2.822 11.093 1.00 0.00 C ATOM 976 C MET A 64 5.576 -4.178 11.397 1.00 0.00 C ATOM 977 O MET A 64 6.748 -4.407 11.086 1.00 0.00 O ATOM 978 CB MET A 64 4.158 -2.879 9.760 1.00 0.00 C ATOM 979 CG MET A 64 5.108 -2.960 8.559 1.00 0.00 C ATOM 980 SD MET A 64 4.354 -3.509 7.013 1.00 0.00 S ATOM 981 CE MET A 64 5.845 -4.278 6.338 1.00 0.00 C ATOM 0 H MET A 64 6.850 -2.050 10.848 1.00 0.00 H new ATOM 0 HA MET A 64 4.226 -2.614 11.903 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.496 -3.745 9.759 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.527 -1.995 9.666 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.550 -1.976 8.399 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.924 -3.639 8.807 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.716 -4.445 5.269 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.699 -3.621 6.502 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.020 -5.232 6.836 1.00 0.00 H new ATOM 991 N LEU A 65 4.793 -5.085 11.983 1.00 0.00 N ATOM 992 CA LEU A 65 5.186 -6.443 12.358 1.00 0.00 C ATOM 993 C LEU A 65 4.572 -7.459 11.388 1.00 0.00 C ATOM 994 O LEU A 65 3.431 -7.311 10.947 1.00 0.00 O ATOM 995 CB LEU A 65 4.732 -6.708 13.813 1.00 0.00 C ATOM 996 CG LEU A 65 5.754 -7.395 14.736 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.188 -8.790 14.278 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.971 -6.492 14.948 1.00 0.00 C ATOM 0 H LEU A 65 3.822 -4.883 12.220 1.00 0.00 H new ATOM 0 HA LEU A 65 6.269 -6.549 12.300 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.453 -5.755 14.262 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.832 -7.322 13.783 1.00 0.00 H new ATOM 0 HG LEU A 65 5.237 -7.551 15.683 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.908 -9.198 14.987 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.317 -9.444 14.228 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.648 -8.723 13.292 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.685 -6.991 15.603 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.443 -6.286 13.987 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.653 -5.555 15.405 1.00 0.00 H new ATOM 1010 N ILE A 66 5.336 -8.504 11.085 1.00 0.00 N ATOM 1011 CA ILE A 66 4.944 -9.608 10.180 1.00 0.00 C ATOM 1012 C ILE A 66 4.974 -10.976 10.892 1.00 0.00 C ATOM 1013 O ILE A 66 4.809 -11.049 12.108 1.00 0.00 O ATOM 1014 CB ILE A 66 5.751 -9.538 8.864 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.247 -9.864 9.080 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.535 -8.170 8.188 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.722 -11.051 8.232 1.00 0.00 C ATOM 0 H ILE A 66 6.274 -8.621 11.467 1.00 0.00 H new ATOM 0 HA ILE A 66 3.900 -9.484 9.893 1.00 0.00 H new ATOM 0 HB ILE A 66 5.379 -10.309 8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.845 -8.986 8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.418 -10.084 10.134 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.107 -8.128 7.261 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.476 -8.036 7.967 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.869 -7.377 8.857 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.779 -11.235 8.424 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.146 -11.939 8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.579 -10.824 7.176 1.00 0.00 H new ATOM 1029 N ALA A 67 5.199 -12.069 10.156 1.00 0.00 N ATOM 1030 CA ALA A 67 5.297 -13.438 10.677 1.00 0.00 C ATOM 1031 C ALA A 67 6.410 -13.674 11.728 1.00 0.00 C ATOM 1032 O ALA A 67 6.375 -14.687 12.431 1.00 0.00 O ATOM 1033 CB ALA A 67 5.521 -14.354 9.468 1.00 0.00 C ATOM 0 H ALA A 67 5.322 -12.024 9.144 1.00 0.00 H new ATOM 0 HA ALA A 67 4.373 -13.650 11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.601 -15.388 9.805 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.681 -14.260 8.780 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.441 -14.066 8.959 1.00 0.00 H new ATOM 1039 N GLY A 68 7.381 -12.758 11.855 1.00 0.00 N ATOM 1040 CA GLY A 68 8.475 -12.857 12.834 1.00 0.00 C ATOM 1041 C GLY A 68 9.493 -11.709 12.848 1.00 0.00 C ATOM 1042 O GLY A 68 10.569 -11.877 13.424 1.00 0.00 O ATOM 0 H GLY A 68 7.430 -11.920 11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.036 -12.934 13.829 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.013 -13.787 12.650 1.00 0.00 H new ATOM 1046 N PHE A 69 9.187 -10.565 12.219 1.00 0.00 N ATOM 1047 CA PHE A 69 10.134 -9.470 11.958 1.00 0.00 C ATOM 1048 C PHE A 69 9.445 -8.096 11.923 1.00 0.00 C ATOM 1049 O PHE A 69 8.283 -7.982 11.525 1.00 0.00 O ATOM 1050 CB PHE A 69 10.849 -9.713 10.614 1.00 0.00 C ATOM 1051 CG PHE A 69 11.713 -10.962 10.542 1.00 0.00 C ATOM 1052 CD1 PHE A 69 13.042 -10.919 11.001 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.194 -12.162 10.013 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.851 -12.067 10.931 1.00 0.00 C ATOM 1055 CE2 PHE A 69 12.003 -13.310 9.948 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.332 -13.264 10.406 1.00 0.00 C ATOM 0 H PHE A 69 8.249 -10.370 11.868 1.00 0.00 H new ATOM 0 HA PHE A 69 10.852 -9.460 12.778 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.096 -9.769 9.828 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.475 -8.848 10.395 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.442 -10.002 11.408 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.175 -12.199 9.658 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.872 -12.029 11.281 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.603 -14.229 9.546 1.00 0.00 H new ATOM 0 HZ PHE A 69 13.953 -14.146 10.355 1.00 0.00 H new ATOM 1066 N LEU A 70 10.190 -7.049 12.300 1.00 0.00 N ATOM 1067 CA LEU A 70 9.804 -5.647 12.128 1.00 0.00 C ATOM 1068 C LEU A 70 10.329 -5.168 10.768 1.00 0.00 C ATOM 1069 O LEU A 70 11.527 -5.249 10.493 1.00 0.00 O ATOM 1070 CB LEU A 70 10.392 -4.818 13.292 1.00 0.00 C ATOM 1071 CG LEU A 70 9.850 -3.388 13.529 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.903 -2.461 12.308 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.420 -3.400 14.079 1.00 0.00 C ATOM 0 H LEU A 70 11.101 -7.159 12.745 1.00 0.00 H new ATOM 0 HA LEU A 70 8.721 -5.527 12.145 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.243 -5.385 14.211 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.468 -4.743 13.135 1.00 0.00 H new ATOM 0 HG LEU A 70 10.537 -2.977 14.269 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.501 -1.484 12.576 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.936 -2.351 11.979 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.309 -2.889 11.500 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.080 -2.376 14.230 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.761 -3.900 13.369 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.400 -3.933 15.030 1.00 0.00 H new ATOM 1085 N TYR A 71 9.436 -4.626 9.946 1.00 0.00 N ATOM 1086 CA TYR A 71 9.758 -3.985 8.668 1.00 0.00 C ATOM 1087 C TYR A 71 9.366 -2.498 8.640 1.00 0.00 C ATOM 1088 O TYR A 71 8.291 -2.104 9.100 1.00 0.00 O ATOM 1089 CB TYR A 71 9.121 -4.758 7.511 1.00 0.00 C ATOM 1090 CG TYR A 71 9.616 -6.177 7.273 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.964 -6.543 7.468 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.698 -7.148 6.836 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.379 -7.871 7.264 1.00 0.00 C ATOM 1094 CE2 TYR A 71 9.099 -8.479 6.643 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.448 -8.848 6.854 1.00 0.00 C ATOM 1096 OH TYR A 71 10.862 -10.133 6.681 1.00 0.00 O ATOM 0 H TYR A 71 8.437 -4.619 10.154 1.00 0.00 H new ATOM 0 HA TYR A 71 10.841 -4.015 8.549 1.00 0.00 H new ATOM 0 HB2 TYR A 71 8.045 -4.799 7.682 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.277 -4.187 6.596 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.683 -5.798 7.776 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.673 -6.866 6.647 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.412 -8.143 7.422 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.378 -9.221 6.334 1.00 0.00 H new ATOM 0 HH TYR A 71 10.104 -10.686 6.399 1.00 0.00 H new ATOM 1106 N VAL A 72 10.269 -1.683 8.094 1.00 0.00 N ATOM 1107 CA VAL A 72 10.139 -0.233 7.929 1.00 0.00 C ATOM 1108 C VAL A 72 9.547 0.048 6.544 1.00 0.00 C ATOM 1109 O VAL A 72 10.209 -0.151 5.525 1.00 0.00 O ATOM 1110 CB VAL A 72 11.495 0.490 8.104 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.328 2.018 8.043 1.00 0.00 C ATOM 1112 CG2 VAL A 72 12.176 0.121 9.436 1.00 0.00 C ATOM 0 H VAL A 72 11.157 -2.034 7.736 1.00 0.00 H new ATOM 0 HA VAL A 72 9.477 0.154 8.704 1.00 0.00 H new ATOM 0 HB VAL A 72 12.125 0.158 7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.300 2.496 8.169 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.908 2.300 7.077 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.658 2.343 8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 72 13.125 0.651 9.518 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.529 0.404 10.266 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.356 -0.954 9.467 1.00 0.00 H new ATOM 1122 N ALA A 73 8.293 0.496 6.529 1.00 0.00 N ATOM 1123 CA ALA A 73 7.543 0.878 5.340 1.00 0.00 C ATOM 1124 C ALA A 73 7.894 2.300 4.895 1.00 0.00 C ATOM 1125 O ALA A 73 7.412 3.275 5.469 1.00 0.00 O ATOM 1126 CB ALA A 73 6.049 0.727 5.648 1.00 0.00 C ATOM 0 H ALA A 73 7.750 0.607 7.385 1.00 0.00 H new ATOM 0 HA ALA A 73 7.807 0.226 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.466 1.008 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.834 -0.309 5.910 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.782 1.375 6.483 1.00 0.00 H new ATOM 1132 N ASP A 74 8.724 2.420 3.863 1.00 0.00 N ATOM 1133 CA ASP A 74 9.131 3.690 3.270 1.00 0.00 C ATOM 1134 C ASP A 74 8.155 4.108 2.160 1.00 0.00 C ATOM 1135 O ASP A 74 8.087 3.468 1.106 1.00 0.00 O ATOM 1136 CB ASP A 74 10.577 3.564 2.773 1.00 0.00 C ATOM 1137 CG ASP A 74 11.111 4.907 2.266 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.607 5.706 3.092 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.021 5.154 1.044 1.00 0.00 O ATOM 0 H ASP A 74 9.144 1.613 3.403 1.00 0.00 H new ATOM 0 HA ASP A 74 9.098 4.483 4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.211 3.200 3.581 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.626 2.826 1.973 1.00 0.00 H new ATOM 1144 N LEU A 75 7.400 5.188 2.410 1.00 0.00 N ATOM 1145 CA LEU A 75 6.415 5.770 1.494 1.00 0.00 C ATOM 1146 C LEU A 75 7.057 6.469 0.281 1.00 0.00 C ATOM 1147 O LEU A 75 6.430 6.548 -0.774 1.00 0.00 O ATOM 1148 CB LEU A 75 5.552 6.779 2.285 1.00 0.00 C ATOM 1149 CG LEU A 75 4.402 6.156 3.102 1.00 0.00 C ATOM 1150 CD1 LEU A 75 3.960 7.091 4.238 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.224 5.881 2.169 1.00 0.00 C ATOM 0 H LEU A 75 7.463 5.698 3.291 1.00 0.00 H new ATOM 0 HA LEU A 75 5.808 4.958 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.200 7.334 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.131 7.500 1.585 1.00 0.00 H new ATOM 0 HG LEU A 75 4.752 5.226 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.148 6.626 4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.802 7.275 4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.616 8.036 3.818 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.405 5.440 2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.891 6.816 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.534 5.191 1.385 1.00 0.00 H new ATOM 1163 N GLU A 76 8.292 6.959 0.416 1.00 0.00 N ATOM 1164 CA GLU A 76 8.965 7.774 -0.602 1.00 0.00 C ATOM 1165 C GLU A 76 9.421 6.948 -1.813 1.00 0.00 C ATOM 1166 O GLU A 76 9.190 7.332 -2.962 1.00 0.00 O ATOM 1167 CB GLU A 76 10.188 8.469 0.015 1.00 0.00 C ATOM 1168 CG GLU A 76 9.843 9.515 1.083 1.00 0.00 C ATOM 1169 CD GLU A 76 9.102 10.725 0.492 1.00 0.00 C ATOM 1170 OE1 GLU A 76 9.758 11.587 -0.139 1.00 0.00 O ATOM 1171 OE2 GLU A 76 7.865 10.826 0.662 1.00 0.00 O ATOM 0 H GLU A 76 8.862 6.799 1.247 1.00 0.00 H new ATOM 0 HA GLU A 76 8.239 8.507 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.836 7.713 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.757 8.951 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.226 9.054 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.759 9.853 1.567 1.00 0.00 H new ATOM 1178 N ASN A 77 10.052 5.799 -1.554 1.00 0.00 N ATOM 1179 CA ASN A 77 10.571 4.867 -2.560 1.00 0.00 C ATOM 1180 C ASN A 77 9.638 3.655 -2.765 1.00 0.00 C ATOM 1181 O ASN A 77 9.881 2.835 -3.652 1.00 0.00 O ATOM 1182 CB ASN A 77 11.977 4.409 -2.134 1.00 0.00 C ATOM 1183 CG ASN A 77 12.956 5.568 -1.960 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.642 5.972 -2.892 1.00 0.00 O ATOM 1185 ND2 ASN A 77 13.057 6.124 -0.765 1.00 0.00 N ATOM 0 H ASN A 77 10.222 5.480 -0.600 1.00 0.00 H new ATOM 0 HA ASN A 77 10.623 5.384 -3.518 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.905 3.858 -1.196 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.370 3.718 -2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.709 6.894 -0.614 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.483 5.783 0.006 1.00 0.00 H new ATOM 1192 N MET A 78 8.590 3.538 -1.934 1.00 0.00 N ATOM 1193 CA MET A 78 7.623 2.426 -1.884 1.00 0.00 C ATOM 1194 C MET A 78 8.322 1.077 -1.628 1.00 0.00 C ATOM 1195 O MET A 78 8.285 0.180 -2.472 1.00 0.00 O ATOM 1196 CB MET A 78 6.730 2.393 -3.143 1.00 0.00 C ATOM 1197 CG MET A 78 5.811 3.613 -3.305 1.00 0.00 C ATOM 1198 SD MET A 78 4.075 3.348 -2.839 1.00 0.00 S ATOM 1199 CE MET A 78 4.186 3.495 -1.041 1.00 0.00 C ATOM 0 H MET A 78 8.382 4.256 -1.240 1.00 0.00 H new ATOM 0 HA MET A 78 6.963 2.603 -1.035 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.368 2.315 -4.023 1.00 0.00 H new ATOM 0 HB3 MET A 78 6.116 1.493 -3.114 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.210 4.430 -2.704 1.00 0.00 H new ATOM 0 HG3 MET A 78 5.845 3.937 -4.345 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.183 3.552 -0.618 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.702 2.624 -0.636 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.740 4.397 -0.783 1.00 0.00 H new ATOM 1209 N VAL A 79 8.941 0.904 -0.456 1.00 0.00 N ATOM 1210 CA VAL A 79 9.691 -0.327 -0.109 1.00 0.00 C ATOM 1211 C VAL A 79 9.594 -0.723 1.370 1.00 0.00 C ATOM 1212 O VAL A 79 9.337 0.112 2.234 1.00 0.00 O ATOM 1213 CB VAL A 79 11.188 -0.267 -0.515 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.419 -0.233 -2.032 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.934 0.902 0.148 1.00 0.00 C ATOM 0 H VAL A 79 8.942 1.606 0.284 1.00 0.00 H new ATOM 0 HA VAL A 79 9.193 -1.096 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 79 11.602 -1.204 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.489 -0.192 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 79 10.998 -1.131 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 79 10.935 0.648 -2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.976 0.896 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.470 1.843 -0.146 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.886 0.797 1.232 1.00 0.00 H new ATOM 1225 N GLN A 80 9.830 -2.009 1.647 1.00 0.00 N ATOM 1226 CA GLN A 80 9.866 -2.626 2.971 1.00 0.00 C ATOM 1227 C GLN A 80 11.230 -3.259 3.238 1.00 0.00 C ATOM 1228 O GLN A 80 11.698 -4.061 2.433 1.00 0.00 O ATOM 1229 CB GLN A 80 8.814 -3.745 3.017 1.00 0.00 C ATOM 1230 CG GLN A 80 7.387 -3.230 2.840 1.00 0.00 C ATOM 1231 CD GLN A 80 6.878 -2.407 4.012 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.594 -2.123 4.958 1.00 0.00 O ATOM 1233 NE2 GLN A 80 5.621 -2.019 4.009 1.00 0.00 N ATOM 0 H GLN A 80 10.012 -2.686 0.906 1.00 0.00 H new ATOM 0 HA GLN A 80 9.670 -1.858 3.719 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.031 -4.473 2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 80 8.890 -4.269 3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.340 -2.624 1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.721 -4.080 2.689 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.017 -2.253 3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.251 -1.484 4.794 1.00 0.00 H new ATOM 1242 N TYR A 81 11.837 -2.949 4.386 1.00 0.00 N ATOM 1243 CA TYR A 81 13.112 -3.521 4.839 1.00 0.00 C ATOM 1244 C TYR A 81 13.214 -3.632 6.367 1.00 0.00 C ATOM 1245 O TYR A 81 12.529 -2.916 7.101 1.00 0.00 O ATOM 1246 CB TYR A 81 14.287 -2.710 4.267 1.00 0.00 C ATOM 1247 CG TYR A 81 14.206 -1.198 4.421 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.398 -0.582 5.674 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.972 -0.399 3.285 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.374 0.821 5.786 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.965 1.003 3.382 1.00 0.00 C ATOM 1252 CZ TYR A 81 14.162 1.621 4.639 1.00 0.00 C ATOM 1253 OH TYR A 81 14.150 2.978 4.752 1.00 0.00 O ATOM 0 H TYR A 81 11.447 -2.276 5.045 1.00 0.00 H new ATOM 0 HA TYR A 81 13.157 -4.541 4.458 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.204 -3.053 4.746 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.376 -2.941 3.205 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.564 -1.189 6.552 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.796 -0.869 2.329 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.518 1.287 6.749 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.810 1.606 2.500 1.00 0.00 H new ATOM 0 HH TYR A 81 13.993 3.378 3.871 1.00 0.00 H new ATOM 1263 N ARG A 82 14.086 -4.519 6.856 1.00 0.00 N ATOM 1264 CA ARG A 82 14.382 -4.697 8.283 1.00 0.00 C ATOM 1265 C ARG A 82 15.222 -3.527 8.823 1.00 0.00 C ATOM 1266 O ARG A 82 16.094 -3.011 8.122 1.00 0.00 O ATOM 1267 CB ARG A 82 15.069 -6.064 8.456 1.00 0.00 C ATOM 1268 CG ARG A 82 15.356 -6.438 9.916 1.00 0.00 C ATOM 1269 CD ARG A 82 15.843 -7.890 10.000 1.00 0.00 C ATOM 1270 NE ARG A 82 16.271 -8.242 11.366 1.00 0.00 N ATOM 1271 CZ ARG A 82 17.519 -8.264 11.825 1.00 0.00 C ATOM 1272 NH1 ARG A 82 18.544 -7.861 11.105 1.00 0.00 N ATOM 1273 NH2 ARG A 82 17.757 -8.704 13.042 1.00 0.00 N ATOM 0 H ARG A 82 14.619 -5.149 6.257 1.00 0.00 H new ATOM 0 HA ARG A 82 13.465 -4.690 8.873 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.439 -6.834 8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.007 -6.060 7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 82 16.110 -5.768 10.330 1.00 0.00 H new ATOM 0 HG3 ARG A 82 14.455 -6.313 10.516 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.044 -8.561 9.684 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.673 -8.036 9.309 1.00 0.00 H new ATOM 0 HE ARG A 82 15.535 -8.494 12.026 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.397 -7.515 10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.486 -7.894 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.986 -9.026 13.628 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.712 -8.723 13.400 1.00 0.00 H new ATOM 1287 N ARG A 83 14.971 -3.104 10.069 1.00 0.00 N ATOM 1288 CA ARG A 83 15.585 -1.910 10.691 1.00 0.00 C ATOM 1289 C ARG A 83 17.124 -1.861 10.618 1.00 0.00 C ATOM 1290 O ARG A 83 17.695 -0.774 10.518 1.00 0.00 O ATOM 1291 CB ARG A 83 15.165 -1.812 12.168 1.00 0.00 C ATOM 1292 CG ARG A 83 13.718 -1.326 12.363 1.00 0.00 C ATOM 1293 CD ARG A 83 13.282 -1.381 13.838 1.00 0.00 C ATOM 1294 NE ARG A 83 14.212 -0.668 14.737 1.00 0.00 N ATOM 1295 CZ ARG A 83 14.191 0.618 15.074 1.00 0.00 C ATOM 1296 NH1 ARG A 83 13.232 1.439 14.704 1.00 0.00 N ATOM 1297 NH2 ARG A 83 15.164 1.107 15.812 1.00 0.00 N ATOM 0 H ARG A 83 14.323 -3.588 10.690 1.00 0.00 H new ATOM 0 HA ARG A 83 15.217 -1.066 10.107 1.00 0.00 H new ATOM 0 HB2 ARG A 83 15.278 -2.790 12.635 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.841 -1.132 12.686 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.627 -0.303 11.997 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.046 -1.940 11.764 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.287 -0.947 13.934 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.208 -2.422 14.151 1.00 0.00 H new ATOM 0 HE ARG A 83 14.959 -1.228 15.148 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.460 1.096 14.133 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.261 2.418 14.988 1.00 0.00 H new ATOM 0 HH21 ARG A 83 15.925 0.501 16.120 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.158 2.092 16.076 1.00 0.00 H new ATOM 1311 N ASN A 84 17.800 -3.014 10.666 1.00 0.00 N ATOM 1312 CA ASN A 84 19.265 -3.095 10.728 1.00 0.00 C ATOM 1313 C ASN A 84 19.965 -3.061 9.349 1.00 0.00 C ATOM 1314 O ASN A 84 21.152 -2.733 9.288 1.00 0.00 O ATOM 1315 CB ASN A 84 19.637 -4.348 11.533 1.00 0.00 C ATOM 1316 CG ASN A 84 21.130 -4.435 11.842 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.648 -3.717 12.690 1.00 0.00 O ATOM 1318 ND2 ASN A 84 21.860 -5.313 11.179 1.00 0.00 N ATOM 0 H ASN A 84 17.342 -3.926 10.663 1.00 0.00 H new ATOM 0 HA ASN A 84 19.633 -2.197 11.225 1.00 0.00 H new ATOM 0 HB2 ASN A 84 19.077 -4.352 12.468 1.00 0.00 H new ATOM 0 HB3 ASN A 84 19.334 -5.235 10.976 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.858 -5.396 11.372 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.426 -5.909 10.474 1.00 0.00 H new ATOM 1325 N GLU A 85 19.264 -3.356 8.245 1.00 0.00 N ATOM 1326 CA GLU A 85 19.845 -3.383 6.895 1.00 0.00 C ATOM 1327 C GLU A 85 18.807 -3.167 5.778 1.00 0.00 C ATOM 1328 O GLU A 85 17.794 -3.858 5.672 1.00 0.00 O ATOM 1329 CB GLU A 85 20.694 -4.651 6.652 1.00 0.00 C ATOM 1330 CG GLU A 85 19.980 -6.005 6.801 1.00 0.00 C ATOM 1331 CD GLU A 85 19.725 -6.393 8.263 1.00 0.00 C ATOM 1332 OE1 GLU A 85 20.698 -6.695 8.992 1.00 0.00 O ATOM 1333 OE2 GLU A 85 18.554 -6.410 8.701 1.00 0.00 O ATOM 0 H GLU A 85 18.270 -3.584 8.264 1.00 0.00 H new ATOM 0 HA GLU A 85 20.518 -2.526 6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 85 21.108 -4.595 5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 85 21.536 -4.633 7.344 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.029 -5.968 6.270 1.00 0.00 H new ATOM 0 HG3 GLU A 85 20.581 -6.780 6.325 1.00 0.00 H new ATOM 1340 N HIS A 86 19.096 -2.210 4.895 1.00 0.00 N ATOM 1341 CA HIS A 86 18.243 -1.812 3.769 1.00 0.00 C ATOM 1342 C HIS A 86 18.395 -2.703 2.519 1.00 0.00 C ATOM 1343 O HIS A 86 17.544 -2.685 1.631 1.00 0.00 O ATOM 1344 CB HIS A 86 18.562 -0.350 3.434 1.00 0.00 C ATOM 1345 CG HIS A 86 19.974 -0.133 2.952 1.00 0.00 C ATOM 1346 ND1 HIS A 86 21.087 0.063 3.772 1.00 0.00 N ATOM 1347 CD2 HIS A 86 20.379 -0.169 1.652 1.00 0.00 C ATOM 1348 CE1 HIS A 86 22.137 0.155 2.937 1.00 0.00 C ATOM 1349 NE2 HIS A 86 21.743 0.020 1.658 1.00 0.00 N ATOM 0 H HIS A 86 19.960 -1.670 4.944 1.00 0.00 H new ATOM 0 HA HIS A 86 17.204 -1.934 4.075 1.00 0.00 H new ATOM 0 HB2 HIS A 86 17.869 -0.002 2.668 1.00 0.00 H new ATOM 0 HB3 HIS A 86 18.392 0.262 4.320 1.00 0.00 H new ATOM 0 HD2 HIS A 86 19.752 -0.317 0.785 1.00 0.00 H new ATOM 0 HE1 HIS A 86 23.158 0.315 3.251 1.00 0.00 H new ATOM 0 HE2 HIS A 86 22.348 0.052 0.837 1.00 0.00 H new ATOM 1357 N GLY A 87 19.464 -3.503 2.449 1.00 0.00 N ATOM 1358 CA GLY A 87 19.817 -4.346 1.293 1.00 0.00 C ATOM 1359 C GLY A 87 18.832 -5.489 0.997 1.00 0.00 C ATOM 1360 O GLY A 87 18.864 -6.052 -0.096 1.00 0.00 O ATOM 0 H GLY A 87 20.130 -3.587 3.217 1.00 0.00 H new ATOM 0 HA2 GLY A 87 19.891 -3.712 0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 87 20.805 -4.773 1.462 1.00 0.00 H new ATOM 1364 N ARG A 88 17.931 -5.799 1.941 1.00 0.00 N ATOM 1365 CA ARG A 88 16.825 -6.761 1.786 1.00 0.00 C ATOM 1366 C ARG A 88 15.549 -6.139 1.173 1.00 0.00 C ATOM 1367 O ARG A 88 14.545 -6.840 1.032 1.00 0.00 O ATOM 1368 CB ARG A 88 16.512 -7.399 3.160 1.00 0.00 C ATOM 1369 CG ARG A 88 17.367 -8.629 3.504 1.00 0.00 C ATOM 1370 CD ARG A 88 18.868 -8.354 3.639 1.00 0.00 C ATOM 1371 NE ARG A 88 19.562 -9.560 4.106 1.00 0.00 N ATOM 1372 CZ ARG A 88 20.848 -9.713 4.371 1.00 0.00 C ATOM 1373 NH1 ARG A 88 21.737 -8.751 4.228 1.00 0.00 N ATOM 1374 NH2 ARG A 88 21.228 -10.895 4.791 1.00 0.00 N ATOM 0 H ARG A 88 17.952 -5.372 2.867 1.00 0.00 H new ATOM 0 HA ARG A 88 17.154 -7.522 1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 88 16.653 -6.646 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.461 -7.686 3.182 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.005 -9.055 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 88 17.219 -9.384 2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 88 19.276 -8.039 2.678 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.034 -7.535 4.339 1.00 0.00 H new ATOM 0 HE ARG A 88 18.978 -10.385 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 88 21.445 -7.831 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 88 22.718 -8.926 4.448 1.00 0.00 H new ATOM 0 HH21 ARG A 88 20.542 -11.643 4.899 1.00 0.00 H new ATOM 0 HH22 ARG A 88 22.209 -11.067 5.010 1.00 0.00 H new ATOM 1388 N ARG A 89 15.550 -4.842 0.823 1.00 0.00 N ATOM 1389 CA ARG A 89 14.335 -4.091 0.466 1.00 0.00 C ATOM 1390 C ARG A 89 13.479 -4.710 -0.655 1.00 0.00 C ATOM 1391 O ARG A 89 13.978 -5.015 -1.741 1.00 0.00 O ATOM 1392 CB ARG A 89 14.638 -2.599 0.244 1.00 0.00 C ATOM 1393 CG ARG A 89 15.535 -2.258 -0.952 1.00 0.00 C ATOM 1394 CD ARG A 89 15.937 -0.779 -0.918 1.00 0.00 C ATOM 1395 NE ARG A 89 16.849 -0.448 -2.028 1.00 0.00 N ATOM 1396 CZ ARG A 89 17.488 0.703 -2.207 1.00 0.00 C ATOM 1397 NH1 ARG A 89 17.351 1.716 -1.376 1.00 0.00 N ATOM 1398 NH2 ARG A 89 18.285 0.850 -3.242 1.00 0.00 N ATOM 0 H ARG A 89 16.401 -4.281 0.780 1.00 0.00 H new ATOM 0 HA ARG A 89 13.688 -4.171 1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.692 -2.072 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.108 -2.207 1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.427 -2.884 -0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.010 -2.477 -1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 89 15.045 -0.156 -0.979 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.420 -0.553 0.033 1.00 0.00 H new ATOM 0 HE ARG A 89 17.005 -1.174 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.739 1.631 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.857 2.586 -1.544 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.410 0.083 -3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.778 1.731 -3.385 1.00 0.00 H new ATOM 1412 N ARG A 90 12.177 -4.857 -0.377 1.00 0.00 N ATOM 1413 CA ARG A 90 11.134 -5.383 -1.277 1.00 0.00 C ATOM 1414 C ARG A 90 10.148 -4.276 -1.661 1.00 0.00 C ATOM 1415 O ARG A 90 9.672 -3.546 -0.794 1.00 0.00 O ATOM 1416 CB ARG A 90 10.368 -6.522 -0.576 1.00 0.00 C ATOM 1417 CG ARG A 90 11.168 -7.829 -0.518 1.00 0.00 C ATOM 1418 CD ARG A 90 10.409 -8.878 0.304 1.00 0.00 C ATOM 1419 NE ARG A 90 11.061 -10.195 0.256 1.00 0.00 N ATOM 1420 CZ ARG A 90 10.943 -11.113 -0.695 1.00 0.00 C ATOM 1421 NH1 ARG A 90 10.194 -10.926 -1.764 1.00 0.00 N ATOM 1422 NH2 ARG A 90 11.585 -12.253 -0.577 1.00 0.00 N ATOM 0 H ARG A 90 11.798 -4.598 0.534 1.00 0.00 H new ATOM 0 HA ARG A 90 11.615 -5.760 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.113 -6.212 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.429 -6.699 -1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 90 11.342 -8.203 -1.527 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.146 -7.646 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.340 -8.546 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.390 -8.965 -0.072 1.00 0.00 H new ATOM 0 HE ARG A 90 11.671 -10.429 1.040 1.00 0.00 H new ATOM 0 HH11 ARG A 90 9.681 -10.052 -1.881 1.00 0.00 H new ATOM 0 HH12 ARG A 90 10.128 -11.655 -2.474 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.169 -12.427 0.241 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.500 -12.964 -1.303 1.00 0.00 H new ATOM 1436 N LYS A 91 9.830 -4.158 -2.953 1.00 0.00 N ATOM 1437 CA LYS A 91 8.882 -3.174 -3.500 1.00 0.00 C ATOM 1438 C LYS A 91 7.427 -3.417 -3.058 1.00 0.00 C ATOM 1439 O LYS A 91 6.976 -4.563 -2.939 1.00 0.00 O ATOM 1440 CB LYS A 91 9.005 -3.173 -5.042 1.00 0.00 C ATOM 1441 CG LYS A 91 9.589 -1.874 -5.621 1.00 0.00 C ATOM 1442 CD LYS A 91 8.576 -0.720 -5.700 1.00 0.00 C ATOM 1443 CE LYS A 91 7.533 -0.928 -6.809 1.00 0.00 C ATOM 1444 NZ LYS A 91 6.413 0.043 -6.694 1.00 0.00 N ATOM 0 H LYS A 91 10.234 -4.760 -3.670 1.00 0.00 H new ATOM 0 HA LYS A 91 9.144 -2.195 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.634 -4.010 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.019 -3.341 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.434 -1.562 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.976 -2.074 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.067 -0.621 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.108 0.215 -5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.010 -0.821 -7.783 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.142 -1.944 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.781 -0.058 -7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.880 -0.143 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.794 1.010 -6.667 1.00 0.00 H new ATOM 1458 N ILE A 92 6.677 -2.327 -2.874 1.00 0.00 N ATOM 1459 CA ILE A 92 5.234 -2.323 -2.559 1.00 0.00 C ATOM 1460 C ILE A 92 4.457 -1.397 -3.501 1.00 0.00 C ATOM 1461 O ILE A 92 5.051 -0.642 -4.276 1.00 0.00 O ATOM 1462 CB ILE A 92 4.981 -2.012 -1.060 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.257 -0.541 -0.692 1.00 0.00 C ATOM 1464 CG2 ILE A 92 5.782 -2.997 -0.201 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.351 -0.238 0.810 1.00 0.00 C ATOM 0 H ILE A 92 7.066 -1.386 -2.941 1.00 0.00 H new ATOM 0 HA ILE A 92 4.849 -3.328 -2.732 1.00 0.00 H new ATOM 0 HB ILE A 92 3.919 -2.149 -0.855 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.191 -0.236 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.467 0.076 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.609 -2.784 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.463 -4.016 -0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 92 6.844 -2.893 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.547 0.824 0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.411 -0.503 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.162 -0.820 1.249 1.00 0.00 H new ATOM 1477 N LYS A 93 3.129 -1.459 -3.438 1.00 0.00 N ATOM 1478 CA LYS A 93 2.216 -0.631 -4.233 1.00 0.00 C ATOM 1479 C LYS A 93 0.863 -0.394 -3.533 1.00 0.00 C ATOM 1480 O LYS A 93 0.489 -1.116 -2.603 1.00 0.00 O ATOM 1481 CB LYS A 93 2.023 -1.248 -5.639 1.00 0.00 C ATOM 1482 CG LYS A 93 1.242 -2.574 -5.628 1.00 0.00 C ATOM 1483 CD LYS A 93 0.814 -3.004 -7.036 1.00 0.00 C ATOM 1484 CE LYS A 93 0.016 -4.314 -6.963 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.761 -4.556 -8.205 1.00 0.00 N ATOM 0 H LYS A 93 2.641 -2.104 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 93 2.677 0.351 -4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.498 -0.532 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.001 -1.416 -6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.860 -3.354 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.359 -2.469 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.207 -2.224 -7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.692 -3.138 -7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.699 -5.147 -6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.663 -4.279 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.034 -5.558 -8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.616 -3.964 -8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.178 -4.315 -9.032 1.00 0.00 H new ATOM 1499 N ARG A 94 0.120 0.588 -4.051 1.00 0.00 N ATOM 1500 CA ARG A 94 -1.283 0.876 -3.725 1.00 0.00 C ATOM 1501 C ARG A 94 -2.171 0.431 -4.895 1.00 0.00 C ATOM 1502 O ARG A 94 -1.792 0.591 -6.057 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.460 2.382 -3.465 1.00 0.00 C ATOM 1504 CG ARG A 94 -0.638 2.878 -2.261 1.00 0.00 C ATOM 1505 CD ARG A 94 -0.764 4.396 -2.037 1.00 0.00 C ATOM 1506 NE ARG A 94 -2.150 4.853 -1.804 1.00 0.00 N ATOM 1507 CZ ARG A 94 -2.890 4.613 -0.727 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -2.466 3.835 0.238 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -4.080 5.146 -0.581 1.00 0.00 N ATOM 0 H ARG A 94 0.497 1.236 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.572 0.332 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.164 2.937 -4.355 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.515 2.595 -3.292 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.966 2.354 -1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.411 2.624 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.150 4.680 -1.182 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.361 4.916 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.581 5.408 -2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.547 3.397 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.055 3.668 1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.456 5.760 -1.304 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.629 4.946 0.255 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.349 -0.114 -4.603 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.310 -0.614 -5.595 1.00 0.00 C ATOM 1525 C ASP A 95 -5.766 -0.483 -5.113 1.00 0.00 C ATOM 1526 O ASP A 95 -6.030 -0.016 -4.004 1.00 0.00 O ATOM 1527 CB ASP A 95 -3.983 -2.079 -5.958 1.00 0.00 C ATOM 1528 CG ASP A 95 -4.035 -2.330 -7.472 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -5.071 -1.995 -8.093 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -3.046 -2.870 -8.025 1.00 0.00 O ATOM 0 H ASP A 95 -3.675 -0.225 -3.643 1.00 0.00 H new ATOM 0 HA ASP A 95 -4.215 0.005 -6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.991 -2.331 -5.584 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.690 -2.741 -5.458 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.711 -0.913 -5.951 1.00 0.00 N ATOM 1536 CA ILE A 96 -8.162 -0.799 -5.746 1.00 0.00 C ATOM 1537 C ILE A 96 -8.837 -2.158 -5.962 1.00 0.00 C ATOM 1538 O ILE A 96 -8.506 -2.900 -6.889 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.758 0.258 -6.706 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -8.075 1.636 -6.595 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -10.276 0.426 -6.474 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -8.331 2.333 -5.258 1.00 0.00 C ATOM 0 H ILE A 96 -6.478 -1.371 -6.832 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.346 -0.479 -4.720 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.574 -0.123 -7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.001 1.513 -6.733 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -8.429 2.275 -7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.669 1.175 -7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.778 -0.526 -6.648 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.454 0.748 -5.448 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.822 3.297 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -9.402 2.487 -5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.952 1.713 -4.446 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.813 -2.462 -5.112 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.690 -3.640 -5.243 1.00 0.00 C ATOM 1556 C ILE A 97 -11.937 -3.293 -6.065 1.00 0.00 C ATOM 1557 O ILE A 97 -12.514 -2.224 -5.886 1.00 0.00 O ATOM 1558 CB ILE A 97 -11.108 -4.173 -3.862 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -9.907 -4.544 -2.973 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -12.028 -5.392 -4.009 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.432 -3.370 -2.115 1.00 0.00 C ATOM 0 H ILE A 97 -10.027 -1.891 -4.294 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.128 -4.418 -5.760 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.642 -3.360 -3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.181 -5.376 -2.325 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.085 -4.887 -3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.313 -5.754 -3.021 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.923 -5.108 -4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.503 -6.181 -4.547 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.584 -3.684 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -9.130 -2.546 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.243 -3.043 -1.465 1.00 0.00 H new ATOM 1573 N ASP A 98 -12.389 -4.221 -6.913 1.00 0.00 N ATOM 1574 CA ASP A 98 -13.570 -4.036 -7.772 1.00 0.00 C ATOM 1575 C ASP A 98 -14.872 -4.689 -7.250 1.00 0.00 C ATOM 1576 O ASP A 98 -15.960 -4.232 -7.598 1.00 0.00 O ATOM 1577 CB ASP A 98 -13.225 -4.513 -9.191 1.00 0.00 C ATOM 1578 CG ASP A 98 -14.288 -4.113 -10.229 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -14.461 -2.895 -10.471 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -14.907 -5.020 -10.834 1.00 0.00 O ATOM 0 H ASP A 98 -11.944 -5.132 -7.026 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.800 -2.971 -7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -12.262 -4.097 -9.485 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.116 -5.598 -9.188 1.00 0.00 H new ATOM 1585 N ILE A 99 -14.752 -5.712 -6.388 1.00 0.00 N ATOM 1586 CA ILE A 99 -15.820 -6.457 -5.671 1.00 0.00 C ATOM 1587 C ILE A 99 -16.613 -7.409 -6.610 1.00 0.00 C ATOM 1588 O ILE A 99 -17.135 -6.965 -7.641 1.00 0.00 O ATOM 1589 CB ILE A 99 -16.769 -5.522 -4.869 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.031 -4.537 -3.928 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -17.818 -6.314 -4.065 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.340 -5.185 -2.720 1.00 0.00 C ATOM 0 H ILE A 99 -13.830 -6.076 -6.149 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.306 -7.083 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 99 -17.273 -4.927 -5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.283 -3.996 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.747 -3.800 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.459 -5.620 -3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.425 -6.910 -4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.313 -6.973 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -14.852 -4.414 -2.123 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.082 -5.701 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.595 -5.900 -3.068 1.00 0.00 H new