USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 699 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: B 35 THR OG1 : rot -96:sc= 2.52 USER MOD Set 1.2: B 37 SER OG : rot 49:sc= 1.24 USER MOD Set 2.1: A 50 ASN : amide:sc= 0.0989 K(o=-1.3,f=-0.74) USER MOD Set 2.2: B 50 ASN : amide:sc= -1.43 K(o=-1.3,f=0.1) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.41 X(o=-1.4,f=-0.95) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 26 MET CE :methyl -161:sc= -0.131 (180deg=-0.642) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc= 0.609 (180deg=0.205) USER MOD Single : A 32 LYS NZ :NH3+ -118:sc= 0.169 (180deg=-0.384!) USER MOD Single : A 33 ASN : amide:sc= -0.0945 K(o=-0.094,f=-1.7!) USER MOD Single : A 35 THR OG1 : rot -82:sc= 1.31 USER MOD Single : A 37 SER OG : rot -131:sc= 1.28 USER MOD Single : A 40 CYS SG : rot 180:sc= -5.87! USER MOD Single : A 45 LYS NZ :NH3+ -155:sc= 0.518 (180deg=0.243) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ -163:sc= -3.33! (180deg=-3.53!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= -5.43! K(o=-5.4!,f=-0.72) USER MOD Single : B 22 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-5.5!) USER MOD Single : B 26 MET CE :methyl -168:sc= -0.0211 (180deg=-0.265) USER MOD Single : B 30 LYS NZ :NH3+ 171:sc= 0.403 (180deg=-0.0375) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 ASN : amide:sc= -1.23! K(o=-1.2!,f=-0.12) USER MOD Single : B 40 CYS SG : rot 70:sc= 0.0958 USER MOD Single : B 45 LYS NZ :NH3+ -127:sc= 2.52 (180deg=-0.382) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 HIS : no HD1:sc= -0.493 K(o=-0.49,f=0.078) USER MOD ----------------------------------------------------------------- ATOM 150 N ILE A 11 -8.423 8.166 0.261 1.00 0.00 N ATOM 151 CA ILE A 11 -7.942 9.052 1.311 1.00 0.00 C ATOM 152 C ILE A 11 -6.426 9.158 1.243 1.00 0.00 C ATOM 153 O ILE A 11 -5.755 8.191 0.880 1.00 0.00 O ATOM 154 CB ILE A 11 -8.344 8.549 2.720 1.00 0.00 C ATOM 155 CG1 ILE A 11 -9.799 8.059 2.746 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.142 9.653 3.752 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.825 9.156 2.540 1.00 0.00 C ATOM 0 HA ILE A 11 -8.401 10.027 1.149 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.701 7.705 2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.931 7.303 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.990 7.572 3.702 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.428 9.286 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.094 9.951 3.766 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.760 10.512 3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.827 8.728 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.724 9.902 3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.663 9.628 1.571 1.00 0.00 H new ATOM 169 N LYS A 12 -5.892 10.318 1.604 1.00 0.00 N ATOM 170 CA LYS A 12 -4.457 10.555 1.534 1.00 0.00 C ATOM 171 C LYS A 12 -3.834 10.416 2.916 1.00 0.00 C ATOM 172 O LYS A 12 -4.215 11.111 3.862 1.00 0.00 O ATOM 173 CB LYS A 12 -4.173 11.953 0.973 1.00 0.00 C ATOM 174 CG LYS A 12 -2.696 12.247 0.743 1.00 0.00 C ATOM 175 CD LYS A 12 -2.159 11.515 -0.478 1.00 0.00 C ATOM 176 CE LYS A 12 -0.698 11.854 -0.732 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.209 11.316 -2.034 1.00 0.00 N ATOM 0 H LYS A 12 -6.433 11.111 1.949 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.016 9.813 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.706 12.068 0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.577 12.697 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.554 13.320 0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.125 11.953 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.265 10.440 -0.335 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.753 11.780 -1.353 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.571 12.936 -0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.088 11.451 0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.791 11.572 -2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.304 10.280 -2.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.772 11.719 -2.810 1.00 0.00 H new ATOM 191 N LEU A 13 -2.890 9.502 3.020 1.00 0.00 N ATOM 192 CA LEU A 13 -2.204 9.232 4.269 1.00 0.00 C ATOM 193 C LEU A 13 -0.706 9.355 4.072 1.00 0.00 C ATOM 194 O LEU A 13 -0.228 9.348 2.941 1.00 0.00 O ATOM 195 CB LEU A 13 -2.566 7.838 4.803 1.00 0.00 C ATOM 196 CG LEU A 13 -2.690 6.722 3.758 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.430 5.371 4.402 1.00 0.00 C ATOM 198 CD2 LEU A 13 -4.077 6.732 3.118 1.00 0.00 C ATOM 0 H LEU A 13 -2.576 8.924 2.240 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.525 9.967 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.810 7.543 5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.512 7.912 5.339 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.947 6.898 2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.521 4.586 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.425 5.356 4.823 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.158 5.200 5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.143 5.933 2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.834 6.579 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.245 7.692 2.629 1.00 0.00 H new ATOM 210 N GLY A 14 0.031 9.458 5.165 1.00 0.00 N ATOM 211 CA GLY A 14 1.458 9.666 5.068 1.00 0.00 C ATOM 212 C GLY A 14 2.219 8.974 6.178 1.00 0.00 C ATOM 213 O GLY A 14 1.828 9.034 7.342 1.00 0.00 O ATOM 0 H GLY A 14 -0.333 9.401 6.116 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.811 9.298 4.105 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.669 10.735 5.098 1.00 0.00 H new ATOM 217 N VAL A 15 3.317 8.331 5.814 1.00 0.00 N ATOM 218 CA VAL A 15 4.102 7.553 6.761 1.00 0.00 C ATOM 219 C VAL A 15 5.511 8.132 6.868 1.00 0.00 C ATOM 220 O VAL A 15 5.910 8.960 6.043 1.00 0.00 O ATOM 221 CB VAL A 15 4.195 6.067 6.319 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.631 5.173 7.474 1.00 0.00 C ATOM 223 CG2 VAL A 15 2.873 5.581 5.739 1.00 0.00 C ATOM 0 H VAL A 15 3.687 8.333 4.864 1.00 0.00 H new ATOM 0 HA VAL A 15 3.606 7.601 7.730 1.00 0.00 H new ATOM 0 HB VAL A 15 4.953 6.007 5.538 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.687 4.139 7.133 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.611 5.491 7.830 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.908 5.249 8.286 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.969 4.538 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.090 5.671 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.612 6.186 4.871 1.00 0.00 H new ATOM 233 N TYR A 16 6.243 7.723 7.895 1.00 0.00 N ATOM 234 CA TYR A 16 7.656 8.047 8.019 1.00 0.00 C ATOM 235 C TYR A 16 8.466 6.787 8.260 1.00 0.00 C ATOM 236 O TYR A 16 8.377 6.169 9.325 1.00 0.00 O ATOM 237 CB TYR A 16 7.903 9.039 9.149 1.00 0.00 C ATOM 238 CG TYR A 16 7.942 10.470 8.683 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.919 10.890 7.793 1.00 0.00 C ATOM 240 CD2 TYR A 16 7.016 11.397 9.127 1.00 0.00 C ATOM 241 CE1 TYR A 16 8.975 12.193 7.357 1.00 0.00 C ATOM 242 CE2 TYR A 16 7.063 12.707 8.695 1.00 0.00 C ATOM 243 CZ TYR A 16 8.044 13.102 7.811 1.00 0.00 C ATOM 244 OH TYR A 16 8.089 14.408 7.390 1.00 0.00 O ATOM 0 H TYR A 16 5.876 7.160 8.662 1.00 0.00 H new ATOM 0 HA TYR A 16 7.972 8.509 7.083 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.119 8.929 9.898 1.00 0.00 H new ATOM 0 HB3 TYR A 16 8.847 8.797 9.637 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.650 10.180 7.435 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.246 11.092 9.821 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.743 12.502 6.664 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.333 13.420 9.049 1.00 0.00 H new ATOM 0 HH TYR A 16 7.359 14.911 7.807 1.00 0.00 H new ATOM 254 N ILE A 17 9.252 6.407 7.268 1.00 0.00 N ATOM 255 CA ILE A 17 10.022 5.175 7.340 1.00 0.00 C ATOM 256 C ILE A 17 11.509 5.467 7.184 1.00 0.00 C ATOM 257 O ILE A 17 11.894 6.400 6.483 1.00 0.00 O ATOM 258 CB ILE A 17 9.560 4.157 6.274 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.765 4.705 4.858 1.00 0.00 C ATOM 260 CG2 ILE A 17 8.096 3.803 6.503 1.00 0.00 C ATOM 261 CD1 ILE A 17 9.348 3.741 3.769 1.00 0.00 C ATOM 0 H ILE A 17 9.375 6.933 6.403 1.00 0.00 H new ATOM 0 HA ILE A 17 9.850 4.733 8.321 1.00 0.00 H new ATOM 0 HB ILE A 17 10.166 3.256 6.370 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.198 5.630 4.750 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.817 4.958 4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.773 3.085 5.749 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.978 3.366 7.495 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.488 4.705 6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.521 4.196 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.933 2.825 3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.289 3.506 3.877 1.00 0.00 H new ATOM 273 N PRO A 18 12.360 4.678 7.854 1.00 0.00 N ATOM 274 CA PRO A 18 13.802 4.932 7.909 1.00 0.00 C ATOM 275 C PRO A 18 14.520 4.710 6.576 1.00 0.00 C ATOM 276 O PRO A 18 13.926 4.247 5.598 1.00 0.00 O ATOM 277 CB PRO A 18 14.303 3.932 8.953 1.00 0.00 C ATOM 278 CG PRO A 18 13.307 2.828 8.929 1.00 0.00 C ATOM 279 CD PRO A 18 11.984 3.474 8.621 1.00 0.00 C ATOM 0 HA PRO A 18 14.003 5.975 8.152 1.00 0.00 H new ATOM 0 HB2 PRO A 18 15.301 3.570 8.707 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.364 4.388 9.941 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.565 2.086 8.174 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.275 2.310 9.887 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.340 2.813 8.041 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.441 3.731 9.531 1.00 0.00 H new ATOM 287 N GLN A 19 15.807 5.040 6.568 1.00 0.00 N ATOM 288 CA GLN A 19 16.653 4.946 5.377 1.00 0.00 C ATOM 289 C GLN A 19 16.553 3.576 4.696 1.00 0.00 C ATOM 290 O GLN A 19 16.066 3.477 3.572 1.00 0.00 O ATOM 291 CB GLN A 19 18.105 5.246 5.779 1.00 0.00 C ATOM 292 CG GLN A 19 19.146 4.599 4.883 1.00 0.00 C ATOM 293 CD GLN A 19 19.136 5.135 3.462 1.00 0.00 C ATOM 294 OE1 GLN A 19 19.473 4.425 2.517 1.00 0.00 O ATOM 295 NE2 GLN A 19 18.756 6.396 3.304 1.00 0.00 N ATOM 0 H GLN A 19 16.299 5.383 7.393 1.00 0.00 H new ATOM 0 HA GLN A 19 16.304 5.678 4.648 1.00 0.00 H new ATOM 0 HB2 GLN A 19 18.256 6.325 5.772 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.264 4.909 6.803 1.00 0.00 H new ATOM 0 HG2 GLN A 19 20.134 4.755 5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.975 3.523 4.859 1.00 0.00 H new ATOM 0 HE21 GLN A 19 18.484 6.952 4.115 1.00 0.00 H new ATOM 0 HE22 GLN A 19 18.736 6.810 2.372 1.00 0.00 H new ATOM 304 N GLU A 20 17.019 2.538 5.389 1.00 0.00 N ATOM 305 CA GLU A 20 17.013 1.160 4.879 1.00 0.00 C ATOM 306 C GLU A 20 15.651 0.744 4.316 1.00 0.00 C ATOM 307 O GLU A 20 15.570 -0.091 3.417 1.00 0.00 O ATOM 308 CB GLU A 20 17.394 0.202 6.001 1.00 0.00 C ATOM 309 CG GLU A 20 18.701 0.554 6.688 1.00 0.00 C ATOM 310 CD GLU A 20 18.960 -0.317 7.896 1.00 0.00 C ATOM 311 OE1 GLU A 20 18.400 -0.020 8.974 1.00 0.00 O ATOM 312 OE2 GLU A 20 19.707 -1.307 7.770 1.00 0.00 O ATOM 0 H GLU A 20 17.414 2.626 6.325 1.00 0.00 H new ATOM 0 HA GLU A 20 17.736 1.117 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.596 0.190 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.467 -0.807 5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.523 0.446 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.679 1.600 6.994 1.00 0.00 H new ATOM 319 N TRP A 21 14.592 1.358 4.808 1.00 0.00 N ATOM 320 CA TRP A 21 13.251 0.993 4.407 1.00 0.00 C ATOM 321 C TRP A 21 12.921 1.655 3.083 1.00 0.00 C ATOM 322 O TRP A 21 12.558 0.992 2.115 1.00 0.00 O ATOM 323 CB TRP A 21 12.264 1.452 5.475 1.00 0.00 C ATOM 324 CG TRP A 21 11.483 0.346 6.113 1.00 0.00 C ATOM 325 CD1 TRP A 21 11.960 -0.652 6.912 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.074 0.155 6.029 1.00 0.00 C ATOM 327 NE1 TRP A 21 10.924 -1.457 7.327 1.00 0.00 N ATOM 328 CE2 TRP A 21 9.753 -0.979 6.798 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.052 0.836 5.379 1.00 0.00 C ATOM 330 CZ2 TRP A 21 8.446 -1.442 6.926 1.00 0.00 C ATOM 331 CZ3 TRP A 21 7.762 0.384 5.505 1.00 0.00 C ATOM 332 CH2 TRP A 21 7.464 -0.744 6.274 1.00 0.00 C ATOM 0 H TRP A 21 14.637 2.116 5.489 1.00 0.00 H new ATOM 0 HA TRP A 21 13.183 -0.089 4.293 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.811 1.988 6.251 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.567 2.161 5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.997 -0.790 7.179 1.00 0.00 H new ATOM 0 HE1 TRP A 21 11.013 -2.275 7.929 1.00 0.00 H new ATOM 0 HE3 TRP A 21 9.270 1.710 4.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.216 -2.317 7.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 6.964 0.909 5.001 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.438 -1.072 6.356 1.00 0.00 H new ATOM 343 N HIS A 22 13.095 2.965 3.039 1.00 0.00 N ATOM 344 CA HIS A 22 12.821 3.736 1.839 1.00 0.00 C ATOM 345 C HIS A 22 13.751 3.311 0.705 1.00 0.00 C ATOM 346 O HIS A 22 13.324 3.171 -0.439 1.00 0.00 O ATOM 347 CB HIS A 22 12.989 5.230 2.134 1.00 0.00 C ATOM 348 CG HIS A 22 12.565 6.129 1.011 1.00 0.00 C ATOM 349 ND1 HIS A 22 13.456 6.765 0.175 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.334 6.523 0.611 1.00 0.00 C ATOM 351 CE1 HIS A 22 12.791 7.512 -0.689 1.00 0.00 C ATOM 352 NE2 HIS A 22 11.498 7.383 -0.447 1.00 0.00 N ATOM 0 H HIS A 22 13.427 3.520 3.827 1.00 0.00 H new ATOM 0 HA HIS A 22 11.794 3.548 1.526 1.00 0.00 H new ATOM 0 HB2 HIS A 22 12.411 5.481 3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.035 5.428 2.368 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.394 6.217 1.045 1.00 0.00 H new ATOM 0 HE1 HIS A 22 13.230 8.125 -1.462 1.00 0.00 H new ATOM 0 HE2 HIS A 22 10.747 7.845 -0.960 1.00 0.00 H new ATOM 361 N ASP A 23 15.018 3.106 1.042 1.00 0.00 N ATOM 362 CA ASP A 23 16.042 2.754 0.064 1.00 0.00 C ATOM 363 C ASP A 23 15.765 1.413 -0.614 1.00 0.00 C ATOM 364 O ASP A 23 15.722 1.329 -1.843 1.00 0.00 O ATOM 365 CB ASP A 23 17.414 2.722 0.729 1.00 0.00 C ATOM 366 CG ASP A 23 18.508 2.310 -0.231 1.00 0.00 C ATOM 367 OD1 ASP A 23 18.806 3.078 -1.164 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.075 1.212 -0.055 1.00 0.00 O ATOM 0 H ASP A 23 15.365 3.179 1.998 1.00 0.00 H new ATOM 0 HA ASP A 23 16.023 3.522 -0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.642 3.708 1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.392 2.029 1.570 1.00 0.00 H new ATOM 373 N ARG A 24 15.549 0.369 0.184 1.00 0.00 N ATOM 374 CA ARG A 24 15.379 -0.976 -0.363 1.00 0.00 C ATOM 375 C ARG A 24 14.021 -1.115 -1.029 1.00 0.00 C ATOM 376 O ARG A 24 13.890 -1.794 -2.050 1.00 0.00 O ATOM 377 CB ARG A 24 15.526 -2.041 0.733 1.00 0.00 C ATOM 378 CG ARG A 24 16.965 -2.405 1.099 1.00 0.00 C ATOM 379 CD ARG A 24 17.754 -1.225 1.652 1.00 0.00 C ATOM 380 NE ARG A 24 18.868 -1.664 2.496 1.00 0.00 N ATOM 381 CZ ARG A 24 19.944 -0.922 2.785 1.00 0.00 C ATOM 382 NH1 ARG A 24 20.101 0.287 2.253 1.00 0.00 N ATOM 383 NH2 ARG A 24 20.880 -1.405 3.592 1.00 0.00 N ATOM 0 H ARG A 24 15.488 0.426 1.201 1.00 0.00 H new ATOM 0 HA ARG A 24 16.160 -1.130 -1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 24 15.018 -1.688 1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 24 15.010 -2.945 0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.955 -3.207 1.838 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.472 -2.792 0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.138 -0.625 0.827 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.090 -0.583 2.231 1.00 0.00 H new ATOM 0 HE ARG A 24 18.820 -2.603 2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.397 0.659 1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.926 0.842 2.482 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.778 -2.339 3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.701 -0.843 3.815 1.00 0.00 H new ATOM 397 N LEU A 25 13.017 -0.457 -0.467 1.00 0.00 N ATOM 398 CA LEU A 25 11.689 -0.469 -1.053 1.00 0.00 C ATOM 399 C LEU A 25 11.707 0.202 -2.417 1.00 0.00 C ATOM 400 O LEU A 25 11.198 -0.349 -3.385 1.00 0.00 O ATOM 401 CB LEU A 25 10.676 0.216 -0.133 1.00 0.00 C ATOM 402 CG LEU A 25 10.181 -0.637 1.037 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.148 0.125 1.847 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.604 -1.954 0.536 1.00 0.00 C ATOM 0 H LEU A 25 13.098 0.089 0.391 1.00 0.00 H new ATOM 0 HA LEU A 25 11.383 -1.508 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.127 1.125 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.816 0.522 -0.729 1.00 0.00 H new ATOM 0 HG LEU A 25 11.030 -0.861 1.683 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.806 -0.495 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.595 1.039 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.301 0.379 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.258 -2.545 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.767 -1.754 -0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.374 -2.507 -0.002 1.00 0.00 H new ATOM 416 N MET A 26 12.315 1.383 -2.497 1.00 0.00 N ATOM 417 CA MET A 26 12.396 2.116 -3.759 1.00 0.00 C ATOM 418 C MET A 26 13.223 1.374 -4.804 1.00 0.00 C ATOM 419 O MET A 26 12.973 1.506 -5.996 1.00 0.00 O ATOM 420 CB MET A 26 12.962 3.522 -3.555 1.00 0.00 C ATOM 421 CG MET A 26 11.979 4.493 -2.917 1.00 0.00 C ATOM 422 SD MET A 26 10.510 4.774 -3.928 1.00 0.00 S ATOM 423 CE MET A 26 11.245 5.445 -5.420 1.00 0.00 C ATOM 0 H MET A 26 12.757 1.852 -1.707 1.00 0.00 H new ATOM 0 HA MET A 26 11.375 2.198 -4.131 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.853 3.458 -2.930 1.00 0.00 H new ATOM 0 HB3 MET A 26 13.277 3.920 -4.519 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.675 4.107 -1.944 1.00 0.00 H new ATOM 0 HG3 MET A 26 12.480 5.445 -2.741 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.484 5.974 -5.994 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.044 6.137 -5.153 1.00 0.00 H new ATOM 0 HE3 MET A 26 11.654 4.633 -6.021 1.00 0.00 H new ATOM 433 N GLU A 27 14.211 0.606 -4.369 1.00 0.00 N ATOM 434 CA GLU A 27 15.034 -0.160 -5.300 1.00 0.00 C ATOM 435 C GLU A 27 14.192 -1.238 -5.980 1.00 0.00 C ATOM 436 O GLU A 27 14.162 -1.347 -7.215 1.00 0.00 O ATOM 437 CB GLU A 27 16.234 -0.777 -4.577 1.00 0.00 C ATOM 438 CG GLU A 27 17.219 -1.471 -5.507 1.00 0.00 C ATOM 439 CD GLU A 27 17.638 -0.594 -6.671 1.00 0.00 C ATOM 440 OE1 GLU A 27 17.873 0.616 -6.462 1.00 0.00 O ATOM 441 OE2 GLU A 27 17.717 -1.105 -7.807 1.00 0.00 O ATOM 0 H GLU A 27 14.463 0.495 -3.387 1.00 0.00 H new ATOM 0 HA GLU A 27 15.416 0.514 -6.067 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.757 0.005 -4.027 1.00 0.00 H new ATOM 0 HB3 GLU A 27 15.873 -1.497 -3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 27 18.103 -1.764 -4.941 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.768 -2.386 -5.890 1.00 0.00 H new ATOM 448 N ILE A 28 13.481 -2.014 -5.174 1.00 0.00 N ATOM 449 CA ILE A 28 12.563 -3.010 -5.710 1.00 0.00 C ATOM 450 C ILE A 28 11.463 -2.310 -6.511 1.00 0.00 C ATOM 451 O ILE A 28 10.996 -2.812 -7.537 1.00 0.00 O ATOM 452 CB ILE A 28 11.930 -3.864 -4.589 1.00 0.00 C ATOM 453 CG1 ILE A 28 13.027 -4.532 -3.753 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.989 -4.909 -5.180 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.498 -5.317 -2.571 1.00 0.00 C ATOM 0 H ILE A 28 13.521 -1.975 -4.156 1.00 0.00 H new ATOM 0 HA ILE A 28 13.130 -3.679 -6.358 1.00 0.00 H new ATOM 0 HB ILE A 28 11.347 -3.213 -3.938 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.603 -5.200 -4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.713 -3.766 -3.392 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.552 -5.501 -4.376 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.195 -4.411 -5.736 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.546 -5.563 -5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.331 -5.761 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.946 -4.650 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.835 -6.106 -2.926 1.00 0.00 H new ATOM 467 N ALA A 29 11.088 -1.125 -6.040 1.00 0.00 N ATOM 468 CA ALA A 29 10.083 -0.298 -6.694 1.00 0.00 C ATOM 469 C ALA A 29 10.533 0.140 -8.086 1.00 0.00 C ATOM 470 O ALA A 29 9.705 0.452 -8.939 1.00 0.00 O ATOM 471 CB ALA A 29 9.763 0.916 -5.836 1.00 0.00 C ATOM 0 H ALA A 29 11.474 -0.711 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 29 9.182 -0.900 -6.812 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.011 1.526 -6.335 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.381 0.588 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.668 1.505 -5.687 1.00 0.00 H new ATOM 477 N LYS A 30 11.840 0.141 -8.325 1.00 0.00 N ATOM 478 CA LYS A 30 12.359 0.511 -9.633 1.00 0.00 C ATOM 479 C LYS A 30 12.170 -0.644 -10.592 1.00 0.00 C ATOM 480 O LYS A 30 11.645 -0.477 -11.692 1.00 0.00 O ATOM 481 CB LYS A 30 13.855 0.851 -9.585 1.00 0.00 C ATOM 482 CG LYS A 30 14.228 1.995 -8.661 1.00 0.00 C ATOM 483 CD LYS A 30 15.694 2.360 -8.834 1.00 0.00 C ATOM 484 CE LYS A 30 16.156 3.385 -7.811 1.00 0.00 C ATOM 485 NZ LYS A 30 16.313 2.793 -6.454 1.00 0.00 N ATOM 0 H LYS A 30 12.551 -0.108 -7.637 1.00 0.00 H new ATOM 0 HA LYS A 30 11.812 1.394 -9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.404 -0.039 -9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.188 1.096 -10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.603 2.862 -8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 30 14.037 1.712 -7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.303 1.461 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.852 2.754 -9.838 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.106 3.813 -8.131 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.437 4.203 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.847 3.449 -5.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.375 2.624 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.827 1.892 -6.526 1.00 0.00 H new ATOM 499 N GLU A 31 12.592 -1.821 -10.155 1.00 0.00 N ATOM 500 CA GLU A 31 12.504 -3.021 -10.978 1.00 0.00 C ATOM 501 C GLU A 31 11.048 -3.348 -11.330 1.00 0.00 C ATOM 502 O GLU A 31 10.750 -3.786 -12.445 1.00 0.00 O ATOM 503 CB GLU A 31 13.169 -4.200 -10.263 1.00 0.00 C ATOM 504 CG GLU A 31 13.357 -5.420 -11.149 1.00 0.00 C ATOM 505 CD GLU A 31 12.448 -6.571 -10.770 1.00 0.00 C ATOM 506 OE1 GLU A 31 11.314 -6.643 -11.286 1.00 0.00 O ATOM 507 OE2 GLU A 31 12.866 -7.417 -9.954 1.00 0.00 O ATOM 0 H GLU A 31 13.000 -1.972 -9.233 1.00 0.00 H new ATOM 0 HA GLU A 31 13.034 -2.834 -11.912 1.00 0.00 H new ATOM 0 HB2 GLU A 31 14.141 -3.883 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.565 -4.478 -9.399 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.169 -5.142 -12.186 1.00 0.00 H new ATOM 0 HG3 GLU A 31 14.395 -5.749 -11.090 1.00 0.00 H new ATOM 514 N LYS A 32 10.142 -3.094 -10.390 1.00 0.00 N ATOM 515 CA LYS A 32 8.727 -3.398 -10.586 1.00 0.00 C ATOM 516 C LYS A 32 7.970 -2.207 -11.171 1.00 0.00 C ATOM 517 O LYS A 32 6.821 -2.343 -11.596 1.00 0.00 O ATOM 518 CB LYS A 32 8.071 -3.820 -9.264 1.00 0.00 C ATOM 519 CG LYS A 32 7.951 -5.328 -9.075 1.00 0.00 C ATOM 520 CD LYS A 32 9.305 -6.009 -8.940 1.00 0.00 C ATOM 521 CE LYS A 32 9.153 -7.522 -8.895 1.00 0.00 C ATOM 522 NZ LYS A 32 10.463 -8.224 -8.841 1.00 0.00 N ATOM 0 H LYS A 32 10.362 -2.678 -9.485 1.00 0.00 H new ATOM 0 HA LYS A 32 8.674 -4.224 -11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.649 -3.407 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.076 -3.379 -9.209 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.355 -5.533 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.416 -5.756 -9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.942 -5.729 -9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.801 -5.663 -8.033 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.560 -7.799 -8.023 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.602 -7.855 -9.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.572 -8.821 -9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.231 -7.524 -8.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.503 -8.819 -7.989 1.00 0.00 H new ATOM 536 N ASN A 33 8.632 -1.047 -11.193 1.00 0.00 N ATOM 537 CA ASN A 33 8.023 0.212 -11.636 1.00 0.00 C ATOM 538 C ASN A 33 6.777 0.509 -10.802 1.00 0.00 C ATOM 539 O ASN A 33 5.695 0.766 -11.324 1.00 0.00 O ATOM 540 CB ASN A 33 7.680 0.173 -13.134 1.00 0.00 C ATOM 541 CG ASN A 33 7.462 1.557 -13.725 1.00 0.00 C ATOM 542 OD1 ASN A 33 7.041 2.490 -13.041 1.00 0.00 O ATOM 543 ND2 ASN A 33 7.758 1.701 -15.007 1.00 0.00 N ATOM 0 H ASN A 33 9.606 -0.953 -10.904 1.00 0.00 H new ATOM 0 HA ASN A 33 8.747 1.013 -11.489 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.486 -0.325 -13.674 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.781 -0.425 -13.281 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.639 2.608 -15.459 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.105 0.905 -15.543 1.00 0.00 H new ATOM 550 N LEU A 34 6.950 0.459 -9.494 1.00 0.00 N ATOM 551 CA LEU A 34 5.864 0.682 -8.555 1.00 0.00 C ATOM 552 C LEU A 34 6.302 1.698 -7.519 1.00 0.00 C ATOM 553 O LEU A 34 7.480 2.031 -7.438 1.00 0.00 O ATOM 554 CB LEU A 34 5.460 -0.625 -7.863 1.00 0.00 C ATOM 555 CG LEU A 34 4.799 -1.671 -8.763 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.525 -2.945 -7.977 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.509 -1.121 -9.357 1.00 0.00 C ATOM 0 H LEU A 34 7.848 0.263 -9.052 1.00 0.00 H new ATOM 0 HA LEU A 34 4.999 1.058 -9.102 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.349 -1.068 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.776 -0.388 -7.048 1.00 0.00 H new ATOM 0 HG LEU A 34 5.480 -1.909 -9.581 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.055 -3.681 -8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.464 -3.346 -7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.860 -2.722 -7.143 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.051 -1.877 -9.995 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.821 -0.859 -8.553 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.731 -0.233 -9.949 1.00 0.00 H new ATOM 569 N THR A 35 5.363 2.208 -6.751 1.00 0.00 N ATOM 570 CA THR A 35 5.689 3.141 -5.690 1.00 0.00 C ATOM 571 C THR A 35 5.612 2.433 -4.345 1.00 0.00 C ATOM 572 O THR A 35 4.926 1.419 -4.210 1.00 0.00 O ATOM 573 CB THR A 35 4.725 4.345 -5.688 1.00 0.00 C ATOM 574 OG1 THR A 35 3.386 3.908 -5.418 1.00 0.00 O ATOM 575 CG2 THR A 35 4.764 5.075 -7.022 1.00 0.00 C ATOM 0 H THR A 35 4.370 1.994 -6.840 1.00 0.00 H new ATOM 0 HA THR A 35 6.700 3.509 -5.862 1.00 0.00 H new ATOM 0 HB THR A 35 5.046 5.032 -4.905 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.976 3.579 -6.245 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.076 5.920 -6.995 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.775 5.437 -7.209 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.469 4.392 -7.819 1.00 0.00 H new ATOM 583 N LEU A 36 6.339 2.945 -3.358 1.00 0.00 N ATOM 584 CA LEU A 36 6.222 2.445 -1.991 1.00 0.00 C ATOM 585 C LEU A 36 4.807 2.666 -1.480 1.00 0.00 C ATOM 586 O LEU A 36 4.343 1.960 -0.588 1.00 0.00 O ATOM 587 CB LEU A 36 7.263 3.096 -1.062 1.00 0.00 C ATOM 588 CG LEU A 36 7.079 4.588 -0.736 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.080 5.004 0.327 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.252 5.461 -1.971 1.00 0.00 C ATOM 0 H LEU A 36 7.012 3.702 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 36 6.427 1.374 -1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.270 2.543 -0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.246 2.968 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 36 6.062 4.727 -0.368 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.948 6.061 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.919 4.414 1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.092 4.836 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.114 6.508 -1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.253 5.321 -2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.512 5.181 -2.721 1.00 0.00 H new ATOM 602 N SER A 37 4.128 3.648 -2.057 1.00 0.00 N ATOM 603 CA SER A 37 2.709 3.829 -1.830 1.00 0.00 C ATOM 604 C SER A 37 1.945 2.588 -2.288 1.00 0.00 C ATOM 605 O SER A 37 1.115 2.049 -1.553 1.00 0.00 O ATOM 606 CB SER A 37 2.219 5.074 -2.569 1.00 0.00 C ATOM 607 OG SER A 37 2.980 6.208 -2.195 1.00 0.00 O ATOM 0 H SER A 37 4.544 4.333 -2.688 1.00 0.00 H new ATOM 0 HA SER A 37 2.529 3.968 -0.764 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.294 4.918 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.166 5.246 -2.345 1.00 0.00 H new ATOM 0 HG SER A 37 2.377 6.944 -1.962 1.00 0.00 H new ATOM 613 N ASP A 38 2.265 2.113 -3.490 1.00 0.00 N ATOM 614 CA ASP A 38 1.643 0.907 -4.030 1.00 0.00 C ATOM 615 C ASP A 38 1.955 -0.287 -3.146 1.00 0.00 C ATOM 616 O ASP A 38 1.055 -1.006 -2.734 1.00 0.00 O ATOM 617 CB ASP A 38 2.122 0.606 -5.456 1.00 0.00 C ATOM 618 CG ASP A 38 1.542 1.545 -6.487 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.305 1.541 -6.671 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.320 2.281 -7.132 1.00 0.00 O ATOM 0 H ASP A 38 2.952 2.545 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 38 0.568 1.086 -4.056 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.210 0.668 -5.488 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.853 -0.418 -5.714 1.00 0.00 H new ATOM 625 N VAL A 39 3.231 -0.468 -2.835 1.00 0.00 N ATOM 626 CA VAL A 39 3.681 -1.605 -2.037 1.00 0.00 C ATOM 627 C VAL A 39 3.050 -1.583 -0.645 1.00 0.00 C ATOM 628 O VAL A 39 2.779 -2.628 -0.073 1.00 0.00 O ATOM 629 CB VAL A 39 5.223 -1.615 -1.899 1.00 0.00 C ATOM 630 CG1 VAL A 39 5.695 -2.826 -1.103 1.00 0.00 C ATOM 631 CG2 VAL A 39 5.885 -1.589 -3.270 1.00 0.00 C ATOM 0 H VAL A 39 3.979 0.162 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 39 3.365 -2.509 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 39 5.516 -0.717 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.782 -2.807 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.256 -2.799 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.385 -3.739 -1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.968 -1.596 -3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.576 -2.466 -3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.585 -0.686 -3.802 1.00 0.00 H new ATOM 641 N CYS A 40 2.804 -0.393 -0.120 1.00 0.00 N ATOM 642 CA CYS A 40 2.236 -0.245 1.216 1.00 0.00 C ATOM 643 C CYS A 40 0.768 -0.689 1.249 1.00 0.00 C ATOM 644 O CYS A 40 0.378 -1.530 2.061 1.00 0.00 O ATOM 645 CB CYS A 40 2.387 1.216 1.669 1.00 0.00 C ATOM 646 SG CYS A 40 2.508 1.452 3.453 1.00 0.00 S ATOM 0 H CYS A 40 2.989 0.489 -0.598 1.00 0.00 H new ATOM 0 HA CYS A 40 2.778 -0.891 1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.277 1.636 1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.534 1.785 1.299 1.00 0.00 H new ATOM 0 HG CYS A 40 2.634 2.719 3.716 1.00 0.00 H new ATOM 652 N ARG A 41 -0.048 -0.126 0.373 1.00 0.00 N ATOM 653 CA ARG A 41 -1.446 -0.539 0.270 1.00 0.00 C ATOM 654 C ARG A 41 -1.580 -1.981 -0.235 1.00 0.00 C ATOM 655 O ARG A 41 -2.512 -2.690 0.138 1.00 0.00 O ATOM 656 CB ARG A 41 -2.250 0.443 -0.594 1.00 0.00 C ATOM 657 CG ARG A 41 -1.680 0.718 -1.976 1.00 0.00 C ATOM 658 CD ARG A 41 -2.188 -0.264 -3.016 1.00 0.00 C ATOM 659 NE ARG A 41 -1.845 0.172 -4.372 1.00 0.00 N ATOM 660 CZ ARG A 41 -2.731 0.499 -5.321 1.00 0.00 C ATOM 661 NH1 ARG A 41 -4.041 0.394 -5.106 1.00 0.00 N ATOM 662 NH2 ARG A 41 -2.297 0.937 -6.496 1.00 0.00 N ATOM 0 H ARG A 41 0.226 0.613 -0.274 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.869 -0.517 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.262 0.054 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.330 1.389 -0.059 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.941 1.732 -2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.592 0.668 -1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.760 -1.249 -2.829 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.270 -0.365 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 41 -0.855 0.231 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.385 0.060 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.700 0.648 -5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.296 1.022 -6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.965 1.188 -7.225 1.00 0.00 H new ATOM 676 N LEU A 42 -0.653 -2.418 -1.080 1.00 0.00 N ATOM 677 CA LEU A 42 -0.632 -3.810 -1.524 1.00 0.00 C ATOM 678 C LEU A 42 -0.142 -4.711 -0.400 1.00 0.00 C ATOM 679 O LEU A 42 -0.369 -5.920 -0.412 1.00 0.00 O ATOM 680 CB LEU A 42 0.254 -3.988 -2.761 1.00 0.00 C ATOM 681 CG LEU A 42 -0.255 -3.303 -4.031 1.00 0.00 C ATOM 682 CD1 LEU A 42 0.720 -3.520 -5.180 1.00 0.00 C ATOM 683 CD2 LEU A 42 -1.637 -3.822 -4.401 1.00 0.00 C ATOM 0 H LEU A 42 0.088 -1.836 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.650 -4.091 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.249 -3.604 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.362 -5.054 -2.961 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.330 -2.233 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.343 -3.026 -6.076 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.691 -3.101 -4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.825 -4.588 -5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.982 -3.323 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.587 -4.897 -4.575 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.332 -3.618 -3.587 1.00 0.00 H new ATOM 695 N ALA A 43 0.516 -4.106 0.580 1.00 0.00 N ATOM 696 CA ALA A 43 1.031 -4.836 1.720 1.00 0.00 C ATOM 697 C ALA A 43 -0.109 -5.277 2.621 1.00 0.00 C ATOM 698 O ALA A 43 -0.164 -6.430 3.041 1.00 0.00 O ATOM 699 CB ALA A 43 2.021 -3.993 2.494 1.00 0.00 C ATOM 0 H ALA A 43 0.704 -3.104 0.603 1.00 0.00 H new ATOM 0 HA ALA A 43 1.551 -5.722 1.355 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.395 -4.561 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.854 -3.722 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.528 -3.088 2.850 1.00 0.00 H new ATOM 705 N ILE A 44 -1.031 -4.359 2.913 1.00 0.00 N ATOM 706 CA ILE A 44 -2.198 -4.702 3.718 1.00 0.00 C ATOM 707 C ILE A 44 -3.121 -5.618 2.934 1.00 0.00 C ATOM 708 O ILE A 44 -3.822 -6.447 3.509 1.00 0.00 O ATOM 709 CB ILE A 44 -2.975 -3.464 4.229 1.00 0.00 C ATOM 710 CG1 ILE A 44 -3.219 -2.453 3.108 1.00 0.00 C ATOM 711 CG2 ILE A 44 -2.239 -2.811 5.387 1.00 0.00 C ATOM 712 CD1 ILE A 44 -3.845 -1.160 3.589 1.00 0.00 C ATOM 0 H ILE A 44 -0.992 -3.386 2.608 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.827 -5.219 4.603 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.947 -3.807 4.583 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.271 -2.229 2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.867 -2.904 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.801 -1.943 5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.138 -3.526 6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.249 -2.495 5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.990 -0.489 2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.808 -1.373 4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.188 -0.687 4.318 1.00 0.00 H new ATOM 724 N LYS A 45 -3.105 -5.475 1.613 1.00 0.00 N ATOM 725 CA LYS A 45 -3.810 -6.401 0.740 1.00 0.00 C ATOM 726 C LYS A 45 -3.251 -7.809 0.948 1.00 0.00 C ATOM 727 O LYS A 45 -4.001 -8.777 1.084 1.00 0.00 O ATOM 728 CB LYS A 45 -3.665 -5.965 -0.730 1.00 0.00 C ATOM 729 CG LYS A 45 -4.554 -6.720 -1.721 1.00 0.00 C ATOM 730 CD LYS A 45 -4.057 -8.135 -1.995 1.00 0.00 C ATOM 731 CE LYS A 45 -4.946 -8.866 -2.988 1.00 0.00 C ATOM 732 NZ LYS A 45 -4.546 -10.292 -3.149 1.00 0.00 N ATOM 0 H LYS A 45 -2.612 -4.727 1.126 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.872 -6.400 0.986 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.890 -4.901 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.625 -6.091 -1.030 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.570 -6.765 -1.330 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.598 -6.166 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.039 -8.094 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.021 -8.694 -1.060 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.982 -8.815 -2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.899 -8.365 -3.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.853 -10.636 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.512 -10.373 -3.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.993 -10.864 -2.405 1.00 0.00 H new ATOM 746 N GLU A 46 -1.925 -7.899 0.999 1.00 0.00 N ATOM 747 CA GLU A 46 -1.237 -9.168 1.179 1.00 0.00 C ATOM 748 C GLU A 46 -1.497 -9.687 2.585 1.00 0.00 C ATOM 749 O GLU A 46 -1.616 -10.891 2.817 1.00 0.00 O ATOM 750 CB GLU A 46 0.270 -8.976 0.964 1.00 0.00 C ATOM 751 CG GLU A 46 1.069 -10.269 0.967 1.00 0.00 C ATOM 752 CD GLU A 46 0.853 -11.091 -0.284 1.00 0.00 C ATOM 753 OE1 GLU A 46 -0.279 -11.567 -0.504 1.00 0.00 O ATOM 754 OE2 GLU A 46 1.818 -11.274 -1.052 1.00 0.00 O ATOM 0 H GLU A 46 -1.302 -7.096 0.917 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.609 -9.890 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.428 -8.466 0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.657 -8.321 1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.129 -10.036 1.065 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.791 -10.861 1.839 1.00 0.00 H new ATOM 761 N TYR A 47 -1.610 -8.749 3.513 1.00 0.00 N ATOM 762 CA TYR A 47 -1.883 -9.059 4.901 1.00 0.00 C ATOM 763 C TYR A 47 -3.246 -9.736 5.018 1.00 0.00 C ATOM 764 O TYR A 47 -3.390 -10.766 5.678 1.00 0.00 O ATOM 765 CB TYR A 47 -1.854 -7.773 5.735 1.00 0.00 C ATOM 766 CG TYR A 47 -1.717 -7.994 7.221 1.00 0.00 C ATOM 767 CD1 TYR A 47 -2.830 -8.210 8.025 1.00 0.00 C ATOM 768 CD2 TYR A 47 -0.467 -7.975 7.823 1.00 0.00 C ATOM 769 CE1 TYR A 47 -2.697 -8.400 9.387 1.00 0.00 C ATOM 770 CE2 TYR A 47 -0.326 -8.165 9.181 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.442 -8.377 9.959 1.00 0.00 C ATOM 772 OH TYR A 47 -1.304 -8.568 11.315 1.00 0.00 O ATOM 0 H TYR A 47 -1.514 -7.752 3.321 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.119 -9.739 5.278 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.025 -7.153 5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.769 -7.212 5.547 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.813 -8.230 7.579 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.411 -7.808 7.217 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.570 -8.566 10.000 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.655 -8.148 9.632 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.355 -8.523 11.557 1.00 0.00 H new ATOM 782 N LEU A 48 -4.236 -9.157 4.349 1.00 0.00 N ATOM 783 CA LEU A 48 -5.581 -9.714 4.326 1.00 0.00 C ATOM 784 C LEU A 48 -5.590 -11.044 3.584 1.00 0.00 C ATOM 785 O LEU A 48 -6.162 -12.023 4.054 1.00 0.00 O ATOM 786 CB LEU A 48 -6.556 -8.742 3.651 1.00 0.00 C ATOM 787 CG LEU A 48 -6.637 -7.349 4.277 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.634 -6.489 3.517 1.00 0.00 C ATOM 789 CD2 LEU A 48 -7.023 -7.444 5.747 1.00 0.00 C ATOM 0 H LEU A 48 -4.130 -8.296 3.812 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.900 -9.876 5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.269 -8.635 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.552 -9.186 3.664 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.654 -6.881 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.683 -5.500 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.316 -6.395 2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.619 -6.954 3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.075 -6.443 6.175 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.995 -7.929 5.837 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.275 -8.029 6.283 1.00 0.00 H new ATOM 801 N ASP A 49 -4.917 -11.070 2.441 1.00 0.00 N ATOM 802 CA ASP A 49 -4.900 -12.240 1.567 1.00 0.00 C ATOM 803 C ASP A 49 -4.329 -13.463 2.281 1.00 0.00 C ATOM 804 O ASP A 49 -4.846 -14.571 2.139 1.00 0.00 O ATOM 805 CB ASP A 49 -4.079 -11.937 0.312 1.00 0.00 C ATOM 806 CG ASP A 49 -4.320 -12.934 -0.805 1.00 0.00 C ATOM 807 OD1 ASP A 49 -5.232 -12.696 -1.625 1.00 0.00 O ATOM 808 OD2 ASP A 49 -3.596 -13.948 -0.880 1.00 0.00 O ATOM 0 H ASP A 49 -4.368 -10.284 2.093 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.928 -12.467 1.286 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.323 -10.936 -0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.020 -11.935 0.568 1.00 0.00 H new ATOM 813 N ASN A 50 -3.284 -13.249 3.073 1.00 0.00 N ATOM 814 CA ASN A 50 -2.625 -14.345 3.777 1.00 0.00 C ATOM 815 C ASN A 50 -3.416 -14.780 5.004 1.00 0.00 C ATOM 816 O ASN A 50 -3.199 -15.867 5.540 1.00 0.00 O ATOM 817 CB ASN A 50 -1.198 -13.956 4.183 1.00 0.00 C ATOM 818 CG ASN A 50 -0.209 -14.127 3.050 1.00 0.00 C ATOM 819 OD1 ASN A 50 0.386 -15.192 2.882 1.00 0.00 O ATOM 820 ND2 ASN A 50 -0.024 -13.082 2.268 1.00 0.00 N ATOM 0 H ASN A 50 -2.875 -12.330 3.244 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.578 -15.188 3.088 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.188 -12.918 4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.885 -14.566 5.030 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.632 -13.138 1.489 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.537 -12.218 2.442 1.00 0.00 H new ATOM 1084 N GLY B 10 13.689 8.722 9.588 1.00 0.00 N ATOM 1085 CA GLY B 10 12.336 8.787 9.090 1.00 0.00 C ATOM 1086 C GLY B 10 12.231 9.554 7.794 1.00 0.00 C ATOM 1087 O GLY B 10 12.591 10.727 7.724 1.00 0.00 O ATOM 0 HA2 GLY B 10 11.959 7.775 8.941 1.00 0.00 H new ATOM 0 HA3 GLY B 10 11.699 9.258 9.839 1.00 0.00 H new ATOM 1091 N ILE B 11 11.763 8.871 6.764 1.00 0.00 N ATOM 1092 CA ILE B 11 11.529 9.476 5.463 1.00 0.00 C ATOM 1093 C ILE B 11 10.026 9.578 5.239 1.00 0.00 C ATOM 1094 O ILE B 11 9.268 8.757 5.762 1.00 0.00 O ATOM 1095 CB ILE B 11 12.168 8.639 4.330 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.609 8.256 4.686 1.00 0.00 C ATOM 1097 CG2 ILE B 11 12.135 9.400 3.012 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.515 9.446 4.914 1.00 0.00 C ATOM 0 H ILE B 11 11.534 7.878 6.806 1.00 0.00 H new ATOM 0 HA ILE B 11 11.987 10.465 5.446 1.00 0.00 H new ATOM 0 HB ILE B 11 11.585 7.725 4.216 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.600 7.639 5.585 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.022 7.644 3.884 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.590 8.792 2.230 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.102 9.621 2.745 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.690 10.332 3.116 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.518 9.098 5.162 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.554 10.052 4.009 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.126 10.047 5.736 1.00 0.00 H new ATOM 1110 N LYS B 12 9.591 10.559 4.457 1.00 0.00 N ATOM 1111 CA LYS B 12 8.172 10.838 4.319 1.00 0.00 C ATOM 1112 C LYS B 12 7.619 10.247 3.031 1.00 0.00 C ATOM 1113 O LYS B 12 8.134 10.489 1.937 1.00 0.00 O ATOM 1114 CB LYS B 12 7.919 12.350 4.349 1.00 0.00 C ATOM 1115 CG LYS B 12 6.456 12.736 4.176 1.00 0.00 C ATOM 1116 CD LYS B 12 5.588 12.181 5.293 1.00 0.00 C ATOM 1117 CE LYS B 12 4.122 12.510 5.067 1.00 0.00 C ATOM 1118 NZ LYS B 12 3.255 11.995 6.159 1.00 0.00 N ATOM 0 H LYS B 12 10.199 11.170 3.912 1.00 0.00 H new ATOM 0 HA LYS B 12 7.657 10.372 5.160 1.00 0.00 H new ATOM 0 HB2 LYS B 12 8.280 12.750 5.297 1.00 0.00 H new ATOM 0 HB3 LYS B 12 8.505 12.822 3.560 1.00 0.00 H new ATOM 0 HG2 LYS B 12 6.367 13.822 4.153 1.00 0.00 H new ATOM 0 HG3 LYS B 12 6.094 12.366 3.217 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.715 11.100 5.353 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.913 12.594 6.248 1.00 0.00 H new ATOM 0 HE2 LYS B 12 4.002 13.591 4.989 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.798 12.084 4.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.266 11.980 5.839 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.551 11.031 6.412 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.341 12.613 6.991 1.00 0.00 H new ATOM 1132 N LEU B 13 6.570 9.459 3.188 1.00 0.00 N ATOM 1133 CA LEU B 13 5.887 8.829 2.075 1.00 0.00 C ATOM 1134 C LEU B 13 4.386 9.012 2.223 1.00 0.00 C ATOM 1135 O LEU B 13 3.897 9.262 3.327 1.00 0.00 O ATOM 1136 CB LEU B 13 6.230 7.337 2.007 1.00 0.00 C ATOM 1137 CG LEU B 13 6.047 6.549 3.312 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.815 5.076 3.013 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.267 6.712 4.215 1.00 0.00 C ATOM 0 H LEU B 13 6.166 9.238 4.098 1.00 0.00 H new ATOM 0 HA LEU B 13 6.217 9.301 1.150 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.612 6.876 1.237 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.267 7.236 1.686 1.00 0.00 H new ATOM 0 HG LEU B 13 5.174 6.946 3.830 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.687 4.531 3.948 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.919 4.965 2.403 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.673 4.675 2.473 1.00 0.00 H new ATOM 0 HD21 LEU B 13 7.117 6.146 5.134 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.153 6.340 3.700 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.403 7.766 4.456 1.00 0.00 H new ATOM 1151 N GLY B 14 3.663 8.870 1.123 1.00 0.00 N ATOM 1152 CA GLY B 14 2.231 9.067 1.149 1.00 0.00 C ATOM 1153 C GLY B 14 1.516 8.162 0.171 1.00 0.00 C ATOM 1154 O GLY B 14 1.739 8.246 -1.033 1.00 0.00 O ATOM 0 H GLY B 14 4.045 8.621 0.210 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.858 8.880 2.156 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.004 10.107 0.913 1.00 0.00 H new ATOM 1158 N VAL B 15 0.647 7.308 0.690 1.00 0.00 N ATOM 1159 CA VAL B 15 -0.029 6.309 -0.126 1.00 0.00 C ATOM 1160 C VAL B 15 -1.506 6.664 -0.314 1.00 0.00 C ATOM 1161 O VAL B 15 -2.124 7.256 0.572 1.00 0.00 O ATOM 1162 CB VAL B 15 0.090 4.898 0.512 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.467 3.829 -0.416 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.535 4.594 0.880 1.00 0.00 C ATOM 0 H VAL B 15 0.392 7.286 1.677 1.00 0.00 H new ATOM 0 HA VAL B 15 0.458 6.298 -1.101 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.504 4.891 1.426 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.371 2.851 0.056 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.519 4.033 -0.616 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.089 3.835 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.596 3.601 1.325 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.154 4.628 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.892 5.335 1.595 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.048 6.350 -1.486 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.483 6.462 -1.738 1.00 0.00 C ATOM 1176 C TYR B 16 -4.127 5.088 -1.752 1.00 0.00 C ATOM 1177 O TYR B 16 -3.691 4.205 -2.493 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.765 7.135 -3.080 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.190 8.576 -2.968 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -5.277 8.921 -2.188 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -3.517 9.583 -3.642 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -5.695 10.227 -2.081 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -3.925 10.899 -3.539 1.00 0.00 C ATOM 1184 CZ TYR B 16 -5.014 11.216 -2.756 1.00 0.00 C ATOM 1185 OH TYR B 16 -5.426 12.525 -2.657 1.00 0.00 O ATOM 0 H TYR B 16 -1.510 6.013 -2.284 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.901 7.069 -0.936 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.869 7.079 -3.698 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.545 6.576 -3.598 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.809 8.150 -1.651 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.663 9.336 -4.255 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -6.551 10.475 -1.472 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.393 11.675 -4.069 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.836 13.095 -3.194 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.162 4.898 -0.942 1.00 0.00 N ATOM 1196 CA ILE B 17 -5.883 3.637 -0.948 1.00 0.00 C ATOM 1197 C ILE B 17 -7.385 3.871 -0.799 1.00 0.00 C ATOM 1198 O ILE B 17 -7.809 4.908 -0.278 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.396 2.657 0.149 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.820 3.104 1.546 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -3.884 2.493 0.100 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.401 2.123 2.616 1.00 0.00 C ATOM 0 H ILE B 17 -5.515 5.592 -0.283 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.677 3.174 -1.913 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.868 1.696 -0.056 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.384 4.080 1.760 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.903 3.226 1.573 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.568 1.800 0.880 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.592 2.101 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.408 3.460 0.259 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.726 2.487 3.591 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -5.858 1.153 2.420 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.316 2.020 2.611 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.200 2.911 -1.272 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.669 3.011 -1.259 1.00 0.00 C ATOM 1216 C PRO B 18 -10.264 3.232 0.134 1.00 0.00 C ATOM 1217 O PRO B 18 -9.663 2.906 1.163 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.121 1.653 -1.809 1.00 0.00 C ATOM 1219 CG PRO B 18 -8.966 1.156 -2.600 1.00 0.00 C ATOM 1220 CD PRO B 18 -7.746 1.648 -1.883 1.00 0.00 C ATOM 0 HA PRO B 18 -10.004 3.873 -1.837 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.373 0.964 -1.002 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -11.011 1.755 -2.431 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -8.972 0.068 -2.662 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.999 1.534 -3.622 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.407 0.936 -1.131 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -6.914 1.809 -2.568 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.467 3.793 0.136 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.207 4.086 1.359 1.00 0.00 C ATOM 1230 C GLN B 19 -12.607 2.806 2.087 1.00 0.00 C ATOM 1231 O GLN B 19 -12.622 2.773 3.318 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.450 4.915 1.026 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.409 5.130 2.198 1.00 0.00 C ATOM 1234 CD GLN B 19 -13.886 6.075 3.270 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -14.658 6.805 3.886 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -12.589 6.050 3.531 1.00 0.00 N ATOM 0 H GLN B 19 -11.960 4.059 -0.716 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.557 4.657 2.022 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.131 5.888 0.652 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -13.991 4.424 0.217 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -15.351 5.521 1.814 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.627 4.165 2.656 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -11.974 5.432 3.001 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -12.204 6.648 4.262 1.00 0.00 H new ATOM 1245 N GLU B 20 -12.931 1.767 1.322 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.291 0.462 1.882 1.00 0.00 C ATOM 1247 C GLU B 20 -12.193 -0.027 2.825 1.00 0.00 C ATOM 1248 O GLU B 20 -12.457 -0.628 3.880 1.00 0.00 O ATOM 1249 CB GLU B 20 -13.499 -0.574 0.767 1.00 0.00 C ATOM 1250 CG GLU B 20 -14.372 -0.097 -0.387 1.00 0.00 C ATOM 1251 CD GLU B 20 -13.601 0.731 -1.399 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -12.982 0.136 -2.303 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -13.605 1.976 -1.287 1.00 0.00 O ATOM 0 H GLU B 20 -12.952 1.802 0.303 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.224 0.579 2.434 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -12.525 -0.865 0.373 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -13.948 -1.468 1.199 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -14.810 -0.961 -0.888 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -15.198 0.495 0.008 1.00 0.00 H new ATOM 1260 N TRP B 21 -10.961 0.300 2.468 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.814 -0.118 3.239 1.00 0.00 C ATOM 1262 C TRP B 21 -9.704 0.742 4.472 1.00 0.00 C ATOM 1263 O TRP B 21 -9.489 0.239 5.561 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.530 0.037 2.435 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.353 -0.940 1.318 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.283 -1.772 0.766 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -7.137 -1.172 0.618 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.707 -2.511 -0.243 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.384 -2.155 -0.352 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.860 -0.632 0.723 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -6.385 -2.610 -1.212 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.876 -1.077 -0.122 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -5.138 -2.053 -1.080 1.00 0.00 C ATOM 0 H TRP B 21 -10.735 0.857 1.644 1.00 0.00 H new ATOM 0 HA TRP B 21 -9.947 -1.167 3.505 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.499 1.045 2.022 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.682 -0.055 3.114 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.316 -1.841 1.074 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -9.184 -3.208 -0.815 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.646 0.128 1.460 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -6.585 -3.370 -1.952 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.881 -0.664 -0.043 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -4.342 -2.379 -1.733 1.00 0.00 H new ATOM 1284 N HIS B 22 -9.863 2.047 4.290 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.809 2.978 5.405 1.00 0.00 C ATOM 1286 C HIS B 22 -10.822 2.609 6.480 1.00 0.00 C ATOM 1287 O HIS B 22 -10.490 2.603 7.658 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.042 4.408 4.933 1.00 0.00 C ATOM 1289 CG HIS B 22 -8.840 5.275 5.112 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.823 6.390 5.924 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -7.600 5.174 4.588 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.625 6.936 5.891 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -6.863 6.219 5.084 1.00 0.00 N ATOM 0 H HIS B 22 -10.030 2.482 3.383 1.00 0.00 H new ATOM 0 HA HIS B 22 -8.811 2.913 5.838 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -10.324 4.398 3.880 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.880 4.836 5.483 1.00 0.00 H new ATOM 0 HD1 HIS B 22 -9.615 6.737 6.465 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -7.253 4.412 3.905 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -7.318 7.819 6.431 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.044 2.282 6.069 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.080 1.871 7.019 1.00 0.00 C ATOM 1304 C ASP B 23 -12.604 0.701 7.881 1.00 0.00 C ATOM 1305 O ASP B 23 -12.649 0.764 9.113 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.361 1.474 6.281 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.470 1.053 7.230 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.420 -0.079 7.755 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.411 1.845 7.447 1.00 0.00 O ATOM 0 H ASP B 23 -12.342 2.292 5.094 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.288 2.722 7.668 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.704 2.314 5.676 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.143 0.655 5.595 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.102 -0.345 7.237 1.00 0.00 N ATOM 1315 CA ARG B 24 -11.690 -1.546 7.959 1.00 0.00 C ATOM 1316 C ARG B 24 -10.391 -1.322 8.735 1.00 0.00 C ATOM 1317 O ARG B 24 -10.251 -1.780 9.869 1.00 0.00 O ATOM 1318 CB ARG B 24 -11.531 -2.718 6.987 1.00 0.00 C ATOM 1319 CG ARG B 24 -12.772 -3.598 6.866 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.034 -2.790 6.597 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.179 -3.656 6.305 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.459 -3.288 6.401 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.797 -2.071 6.814 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -17.412 -4.151 6.083 1.00 0.00 N ATOM 0 H ARG B 24 -11.970 -0.389 6.226 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.470 -1.782 8.682 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.278 -2.327 6.001 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -10.692 -3.334 7.311 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -12.626 -4.318 6.060 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -12.899 -4.170 7.785 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.260 -2.168 7.463 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -13.863 -2.117 5.757 1.00 0.00 H new ATOM 0 HE ARG B 24 -14.984 -4.611 6.006 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -16.073 -1.398 7.065 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -17.781 -1.810 6.880 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -17.166 -5.089 5.767 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -18.392 -3.877 6.154 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.456 -0.601 8.136 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.168 -0.338 8.767 1.00 0.00 C ATOM 1340 C LEU B 25 -8.332 0.534 10.001 1.00 0.00 C ATOM 1341 O LEU B 25 -7.783 0.232 11.054 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.204 0.339 7.788 1.00 0.00 C ATOM 1343 CG LEU B 25 -6.802 -0.497 6.570 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -5.787 0.250 5.723 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.246 -1.845 7.000 1.00 0.00 C ATOM 0 H LEU B 25 -9.564 -0.185 7.211 1.00 0.00 H new ATOM 0 HA LEU B 25 -7.751 -1.300 9.066 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.662 1.264 7.436 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.300 0.617 8.330 1.00 0.00 H new ATOM 0 HG LEU B 25 -7.694 -0.672 5.968 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.513 -0.359 4.862 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.220 1.189 5.380 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -4.898 0.457 6.319 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.967 -2.422 6.118 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.367 -1.693 7.627 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.004 -2.388 7.564 1.00 0.00 H new ATOM 1357 N MET B 26 -9.084 1.624 9.869 1.00 0.00 N ATOM 1358 CA MET B 26 -9.291 2.541 10.984 1.00 0.00 C ATOM 1359 C MET B 26 -10.074 1.865 12.102 1.00 0.00 C ATOM 1360 O MET B 26 -9.970 2.246 13.274 1.00 0.00 O ATOM 1361 CB MET B 26 -9.998 3.824 10.534 1.00 0.00 C ATOM 1362 CG MET B 26 -9.258 4.583 9.439 1.00 0.00 C ATOM 1363 SD MET B 26 -7.543 4.951 9.861 1.00 0.00 S ATOM 1364 CE MET B 26 -7.764 5.987 11.304 1.00 0.00 C ATOM 0 H MET B 26 -9.557 1.892 9.006 1.00 0.00 H new ATOM 0 HA MET B 26 -8.309 2.818 11.366 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.996 3.571 10.177 1.00 0.00 H new ATOM 0 HB3 MET B 26 -10.124 4.479 11.396 1.00 0.00 H new ATOM 0 HG2 MET B 26 -9.281 3.996 8.521 1.00 0.00 H new ATOM 0 HG3 MET B 26 -9.783 5.516 9.235 1.00 0.00 H new ATOM 0 HE1 MET B 26 -6.818 6.467 11.555 1.00 0.00 H new ATOM 0 HE2 MET B 26 -8.514 6.750 11.093 1.00 0.00 H new ATOM 0 HE3 MET B 26 -8.095 5.376 12.144 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.860 0.862 11.746 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.552 0.070 12.744 1.00 0.00 C ATOM 1376 C GLU B 27 -10.532 -0.678 13.593 1.00 0.00 C ATOM 1377 O GLU B 27 -10.556 -0.606 14.824 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.513 -0.911 12.078 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.657 -1.324 12.981 1.00 0.00 C ATOM 1380 CD GLU B 27 -14.488 -0.132 13.398 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -14.151 0.508 14.420 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -15.465 0.191 12.690 1.00 0.00 O ATOM 0 H GLU B 27 -11.033 0.580 10.781 1.00 0.00 H new ATOM 0 HA GLU B 27 -12.135 0.732 13.384 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -12.917 -0.457 11.173 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -11.961 -1.799 11.770 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.288 -2.047 12.464 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.262 -1.822 13.867 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.605 -1.353 12.923 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.535 -2.077 13.597 1.00 0.00 C ATOM 1391 C ILE B 28 -7.625 -1.099 14.338 1.00 0.00 C ATOM 1392 O ILE B 28 -7.041 -1.425 15.375 1.00 0.00 O ATOM 1393 CB ILE B 28 -7.696 -2.899 12.591 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -8.598 -3.857 11.807 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -6.594 -3.669 13.310 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -7.873 -4.637 10.731 1.00 0.00 C ATOM 0 H ILE B 28 -9.574 -1.414 11.905 1.00 0.00 H new ATOM 0 HA ILE B 28 -8.993 -2.764 14.309 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.226 -2.210 11.889 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.059 -4.558 12.503 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -9.405 -3.287 11.348 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.016 -4.240 12.584 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -5.937 -2.968 13.826 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.040 -4.350 14.035 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -8.578 -5.293 10.220 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -7.435 -3.944 10.012 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.083 -5.236 11.185 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.539 0.112 13.798 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.719 1.171 14.365 1.00 0.00 C ATOM 1410 C ALA B 29 -7.158 1.507 15.783 1.00 0.00 C ATOM 1411 O ALA B 29 -6.331 1.811 16.641 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.777 2.407 13.485 1.00 0.00 C ATOM 0 H ALA B 29 -8.039 0.385 12.952 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.689 0.816 14.409 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -6.159 3.193 13.920 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.406 2.163 12.490 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.808 2.754 13.413 1.00 0.00 H new ATOM 1418 N LYS B 30 -8.460 1.428 16.036 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.978 1.691 17.375 1.00 0.00 C ATOM 1420 C LYS B 30 -8.760 0.470 18.258 1.00 0.00 C ATOM 1421 O LYS B 30 -8.395 0.588 19.428 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.475 2.009 17.337 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.881 2.993 16.258 1.00 0.00 C ATOM 1424 CD LYS B 30 -12.366 3.300 16.339 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.888 3.912 15.053 1.00 0.00 C ATOM 1426 NZ LYS B 30 -12.888 2.930 13.936 1.00 0.00 N ATOM 0 H LYS B 30 -9.168 1.187 15.342 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.445 2.552 17.778 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -11.027 1.081 17.191 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.774 2.408 18.306 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.308 3.914 16.365 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.643 2.582 15.277 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.915 2.383 16.554 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.551 3.984 17.168 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -13.901 4.283 15.211 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -12.273 4.770 14.783 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -13.389 3.334 13.119 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -11.908 2.710 13.667 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -13.367 2.058 14.240 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.973 -0.694 17.672 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.853 -1.962 18.380 1.00 0.00 C ATOM 1442 C GLU B 31 -7.439 -2.176 18.926 1.00 0.00 C ATOM 1443 O GLU B 31 -7.243 -2.320 20.132 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.216 -3.116 17.443 1.00 0.00 C ATOM 1445 CG GLU B 31 -10.600 -3.000 16.830 1.00 0.00 C ATOM 1446 CD GLU B 31 -11.703 -2.993 17.865 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -12.001 -4.069 18.425 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -12.283 -1.920 18.121 1.00 0.00 O ATOM 0 H GLU B 31 -9.234 -0.790 16.691 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.541 -1.935 19.225 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -8.478 -3.167 16.642 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -9.152 -4.053 17.995 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -10.655 -2.085 16.241 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -10.758 -3.831 16.143 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.457 -2.181 18.030 1.00 0.00 N ATOM 1456 CA LYS B 32 -5.088 -2.542 18.395 1.00 0.00 C ATOM 1457 C LYS B 32 -4.225 -1.319 18.703 1.00 0.00 C ATOM 1458 O LYS B 32 -3.052 -1.454 19.056 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.434 -3.389 17.294 1.00 0.00 C ATOM 1460 CG LYS B 32 -4.800 -4.870 17.350 1.00 0.00 C ATOM 1461 CD LYS B 32 -6.270 -5.118 17.040 1.00 0.00 C ATOM 1462 CE LYS B 32 -6.642 -6.578 17.247 1.00 0.00 C ATOM 1463 NZ LYS B 32 -8.047 -6.861 16.852 1.00 0.00 N ATOM 0 H LYS B 32 -6.582 -1.940 17.047 1.00 0.00 H new ATOM 0 HA LYS B 32 -5.153 -3.133 19.308 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.724 -2.990 16.322 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.351 -3.290 17.369 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.184 -5.421 16.639 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -4.570 -5.261 18.341 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.889 -4.489 17.679 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -6.480 -4.830 16.010 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -5.969 -7.209 16.666 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.501 -6.842 18.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -8.256 -7.867 17.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.692 -6.279 17.424 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -8.177 -6.634 15.845 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.815 -0.133 18.548 1.00 0.00 N ATOM 1478 CA ASN B 33 -4.127 1.139 18.802 1.00 0.00 C ATOM 1479 C ASN B 33 -2.996 1.345 17.797 1.00 0.00 C ATOM 1480 O ASN B 33 -1.839 1.553 18.160 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.592 1.207 20.241 1.00 0.00 C ATOM 1482 CG ASN B 33 -3.108 2.597 20.627 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -2.161 2.743 21.399 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -3.778 3.629 20.131 1.00 0.00 N ATOM 0 H ASN B 33 -5.782 -0.024 18.243 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.853 1.943 18.679 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -4.377 0.897 20.930 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.772 0.498 20.352 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -3.513 4.580 20.387 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -4.558 3.471 19.493 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.356 1.281 16.528 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.408 1.468 15.440 1.00 0.00 C ATOM 1493 C LEU B 34 -2.885 2.598 14.542 1.00 0.00 C ATOM 1494 O LEU B 34 -4.029 3.035 14.648 1.00 0.00 O ATOM 1495 CB LEU B 34 -2.264 0.178 14.625 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.647 -1.001 15.377 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -1.648 -2.244 14.501 1.00 0.00 C ATOM 1498 CD2 LEU B 34 -0.231 -0.669 15.828 1.00 0.00 C ATOM 0 H LEU B 34 -4.311 1.098 16.221 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.434 1.722 15.859 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -3.249 -0.117 14.265 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.653 0.388 13.747 1.00 0.00 H new ATOM 0 HG LEU B 34 -2.250 -1.198 16.263 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -1.206 -3.076 15.049 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.673 -2.494 14.226 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -1.066 -2.054 13.599 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.190 -1.521 16.361 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.385 -0.445 14.957 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.253 0.198 16.489 1.00 0.00 H new ATOM 1510 N THR B 35 -2.014 3.085 13.676 1.00 0.00 N ATOM 1511 CA THR B 35 -2.407 4.101 12.720 1.00 0.00 C ATOM 1512 C THR B 35 -2.535 3.491 11.341 1.00 0.00 C ATOM 1513 O THR B 35 -1.998 2.414 11.083 1.00 0.00 O ATOM 1514 CB THR B 35 -1.403 5.275 12.658 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.129 4.813 12.187 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.236 5.922 14.022 1.00 0.00 C ATOM 0 H THR B 35 -1.038 2.795 13.616 1.00 0.00 H new ATOM 0 HA THR B 35 -3.366 4.496 13.055 1.00 0.00 H new ATOM 0 HB THR B 35 -1.798 6.019 11.966 1.00 0.00 H new ATOM 0 HG1 THR B 35 0.453 4.622 12.952 1.00 0.00 H new ATOM 0 HG21 THR B 35 -0.525 6.745 13.950 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.198 6.303 14.364 1.00 0.00 H new ATOM 0 HG23 THR B 35 -0.865 5.183 14.732 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.247 4.176 10.472 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.383 3.759 9.087 1.00 0.00 C ATOM 1526 C LEU B 36 -2.002 3.583 8.448 1.00 0.00 C ATOM 1527 O LEU B 36 -1.746 2.598 7.743 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.233 4.787 8.318 1.00 0.00 C ATOM 1529 CG LEU B 36 -3.650 6.210 8.169 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -4.521 7.033 7.245 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -3.532 6.924 9.511 1.00 0.00 C ATOM 0 H LEU B 36 -3.747 5.035 10.701 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.891 2.796 9.045 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.421 4.392 7.320 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.199 4.867 8.816 1.00 0.00 H new ATOM 0 HG LEU B 36 -2.649 6.106 7.751 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.102 8.034 7.146 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -4.562 6.558 6.265 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -5.528 7.100 7.658 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.118 7.920 9.358 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -4.519 7.007 9.967 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -2.875 6.355 10.169 1.00 0.00 H new ATOM 1543 N SER B 37 -1.111 4.525 8.736 1.00 0.00 N ATOM 1544 CA SER B 37 0.267 4.452 8.287 1.00 0.00 C ATOM 1545 C SER B 37 0.959 3.188 8.803 1.00 0.00 C ATOM 1546 O SER B 37 1.663 2.503 8.049 1.00 0.00 O ATOM 1547 CB SER B 37 1.016 5.706 8.743 1.00 0.00 C ATOM 1548 OG SER B 37 0.457 6.231 9.942 1.00 0.00 O ATOM 0 H SER B 37 -1.326 5.357 9.286 1.00 0.00 H new ATOM 0 HA SER B 37 0.276 4.401 7.198 1.00 0.00 H new ATOM 0 HB2 SER B 37 2.067 5.467 8.903 1.00 0.00 H new ATOM 0 HB3 SER B 37 0.977 6.462 7.959 1.00 0.00 H new ATOM 0 HG SER B 37 0.344 5.508 10.594 1.00 0.00 H new ATOM 1554 N ASP B 38 0.731 2.868 10.080 1.00 0.00 N ATOM 1555 CA ASP B 38 1.359 1.706 10.705 1.00 0.00 C ATOM 1556 C ASP B 38 0.909 0.427 10.032 1.00 0.00 C ATOM 1557 O ASP B 38 1.734 -0.406 9.686 1.00 0.00 O ATOM 1558 CB ASP B 38 1.036 1.611 12.204 1.00 0.00 C ATOM 1559 CG ASP B 38 1.849 2.560 13.058 1.00 0.00 C ATOM 1560 OD1 ASP B 38 3.095 2.486 13.020 1.00 0.00 O ATOM 1561 OD2 ASP B 38 1.240 3.372 13.791 1.00 0.00 O ATOM 0 H ASP B 38 0.117 3.398 10.698 1.00 0.00 H new ATOM 0 HA ASP B 38 2.435 1.834 10.586 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -0.024 1.818 12.353 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.212 0.590 12.542 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.391 0.297 9.809 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.956 -0.944 9.296 1.00 0.00 C ATOM 1568 C VAL B 39 -0.377 -1.299 7.927 1.00 0.00 C ATOM 1569 O VAL B 39 0.003 -2.447 7.691 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.496 -0.871 9.198 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -3.073 -2.180 8.676 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -3.103 -0.524 10.549 1.00 0.00 C ATOM 0 H VAL B 39 -1.075 1.035 9.975 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.686 -1.725 10.007 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.750 -0.082 8.490 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -4.159 -2.101 8.617 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.670 -2.386 7.685 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.804 -2.991 9.352 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -4.188 -0.477 10.459 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.832 -1.289 11.277 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.724 0.443 10.880 1.00 0.00 H new ATOM 1582 N CYS B 40 -0.278 -0.316 7.041 1.00 0.00 N ATOM 1583 CA CYS B 40 0.214 -0.576 5.692 1.00 0.00 C ATOM 1584 C CYS B 40 1.690 -1.003 5.713 1.00 0.00 C ATOM 1585 O CYS B 40 2.039 -2.071 5.209 1.00 0.00 O ATOM 1586 CB CYS B 40 0.004 0.650 4.799 1.00 0.00 C ATOM 1587 SG CYS B 40 -1.654 1.363 4.920 1.00 0.00 S ATOM 0 H CYS B 40 -0.528 0.655 7.227 1.00 0.00 H new ATOM 0 HA CYS B 40 -0.360 -1.403 5.273 1.00 0.00 H new ATOM 0 HB2 CYS B 40 0.737 1.411 5.064 1.00 0.00 H new ATOM 0 HB3 CYS B 40 0.195 0.371 3.763 1.00 0.00 H new ATOM 0 HG CYS B 40 -1.805 1.916 6.087 1.00 0.00 H new ATOM 1593 N ARG B 41 2.555 -0.180 6.304 1.00 0.00 N ATOM 1594 CA ARG B 41 3.972 -0.514 6.420 1.00 0.00 C ATOM 1595 C ARG B 41 4.210 -1.794 7.243 1.00 0.00 C ATOM 1596 O ARG B 41 5.163 -2.523 6.988 1.00 0.00 O ATOM 1597 CB ARG B 41 4.761 0.677 6.992 1.00 0.00 C ATOM 1598 CG ARG B 41 4.382 1.093 8.408 1.00 0.00 C ATOM 1599 CD ARG B 41 5.164 0.318 9.459 1.00 0.00 C ATOM 1600 NE ARG B 41 4.880 0.793 10.813 1.00 0.00 N ATOM 1601 CZ ARG B 41 5.584 0.448 11.892 1.00 0.00 C ATOM 1602 NH1 ARG B 41 6.624 -0.372 11.783 1.00 0.00 N ATOM 1603 NH2 ARG B 41 5.239 0.927 13.078 1.00 0.00 N ATOM 0 H ARG B 41 2.299 0.721 6.709 1.00 0.00 H new ATOM 0 HA ARG B 41 4.340 -0.723 5.416 1.00 0.00 H new ATOM 0 HB2 ARG B 41 5.822 0.429 6.976 1.00 0.00 H new ATOM 0 HB3 ARG B 41 4.624 1.533 6.331 1.00 0.00 H new ATOM 0 HG2 ARG B 41 4.565 2.160 8.534 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.314 0.933 8.559 1.00 0.00 H new ATOM 0 HD2 ARG B 41 4.917 -0.741 9.387 1.00 0.00 H new ATOM 0 HD3 ARG B 41 6.231 0.411 9.259 1.00 0.00 H new ATOM 0 HE ARG B 41 4.093 1.429 10.940 1.00 0.00 H new ATOM 0 HH11 ARG B 41 6.888 -0.742 10.870 1.00 0.00 H new ATOM 0 HH12 ARG B 41 7.158 -0.632 12.612 1.00 0.00 H new ATOM 0 HH21 ARG B 41 4.440 1.555 13.161 1.00 0.00 H new ATOM 0 HH22 ARG B 41 5.773 0.668 13.908 1.00 0.00 H new ATOM 1617 N LEU B 42 3.349 -2.083 8.213 1.00 0.00 N ATOM 1618 CA LEU B 42 3.481 -3.320 8.989 1.00 0.00 C ATOM 1619 C LEU B 42 3.220 -4.521 8.102 1.00 0.00 C ATOM 1620 O LEU B 42 3.807 -5.589 8.285 1.00 0.00 O ATOM 1621 CB LEU B 42 2.523 -3.343 10.181 1.00 0.00 C ATOM 1622 CG LEU B 42 2.950 -2.486 11.376 1.00 0.00 C ATOM 1623 CD1 LEU B 42 1.878 -2.506 12.455 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.279 -2.975 11.936 1.00 0.00 C ATOM 0 H LEU B 42 2.563 -1.491 8.481 1.00 0.00 H new ATOM 0 HA LEU B 42 4.500 -3.362 9.373 1.00 0.00 H new ATOM 0 HB2 LEU B 42 1.542 -3.007 9.845 1.00 0.00 H new ATOM 0 HB3 LEU B 42 2.409 -4.374 10.516 1.00 0.00 H new ATOM 0 HG LEU B 42 3.077 -1.459 11.035 1.00 0.00 H new ATOM 0 HD11 LEU B 42 2.198 -1.892 13.297 1.00 0.00 H new ATOM 0 HD12 LEU B 42 0.947 -2.110 12.050 1.00 0.00 H new ATOM 0 HD13 LEU B 42 1.720 -3.530 12.792 1.00 0.00 H new ATOM 0 HD21 LEU B 42 4.567 -2.354 12.785 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.178 -4.010 12.262 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.045 -2.911 11.163 1.00 0.00 H new ATOM 1636 N ALA B 43 2.349 -4.332 7.129 1.00 0.00 N ATOM 1637 CA ALA B 43 2.073 -5.368 6.163 1.00 0.00 C ATOM 1638 C ALA B 43 3.211 -5.481 5.156 1.00 0.00 C ATOM 1639 O ALA B 43 3.362 -6.508 4.511 1.00 0.00 O ATOM 1640 CB ALA B 43 0.756 -5.105 5.465 1.00 0.00 C ATOM 0 H ALA B 43 1.823 -3.469 6.990 1.00 0.00 H new ATOM 0 HA ALA B 43 1.994 -6.319 6.690 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.564 -5.896 4.740 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -0.048 -5.084 6.201 1.00 0.00 H new ATOM 0 HB3 ALA B 43 0.802 -4.145 4.951 1.00 0.00 H new ATOM 1646 N ILE B 44 4.007 -4.416 5.013 1.00 0.00 N ATOM 1647 CA ILE B 44 5.205 -4.475 4.178 1.00 0.00 C ATOM 1648 C ILE B 44 6.214 -5.393 4.838 1.00 0.00 C ATOM 1649 O ILE B 44 6.901 -6.173 4.177 1.00 0.00 O ATOM 1650 CB ILE B 44 5.855 -3.089 3.955 1.00 0.00 C ATOM 1651 CG1 ILE B 44 4.906 -2.156 3.205 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.170 -3.228 3.193 1.00 0.00 C ATOM 1653 CD1 ILE B 44 5.509 -0.800 2.903 1.00 0.00 C ATOM 0 H ILE B 44 3.844 -3.514 5.460 1.00 0.00 H new ATOM 0 HA ILE B 44 4.903 -4.850 3.200 1.00 0.00 H new ATOM 0 HB ILE B 44 6.063 -2.654 4.933 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.607 -2.629 2.269 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.001 -2.019 3.796 1.00 0.00 H new ATOM 0 HG21 ILE B 44 7.611 -2.242 3.046 1.00 0.00 H new ATOM 0 HG22 ILE B 44 7.857 -3.852 3.764 1.00 0.00 H new ATOM 0 HG23 ILE B 44 6.982 -3.689 2.223 1.00 0.00 H new ATOM 0 HD11 ILE B 44 4.781 -0.189 2.369 1.00 0.00 H new ATOM 0 HD12 ILE B 44 5.782 -0.307 3.836 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.398 -0.927 2.286 1.00 0.00 H new ATOM 1665 N LYS B 45 6.284 -5.291 6.158 1.00 0.00 N ATOM 1666 CA LYS B 45 7.109 -6.182 6.947 1.00 0.00 C ATOM 1667 C LYS B 45 6.705 -7.625 6.663 1.00 0.00 C ATOM 1668 O LYS B 45 7.550 -8.470 6.384 1.00 0.00 O ATOM 1669 CB LYS B 45 6.974 -5.844 8.446 1.00 0.00 C ATOM 1670 CG LYS B 45 7.801 -6.717 9.394 1.00 0.00 C ATOM 1671 CD LYS B 45 7.177 -8.092 9.598 1.00 0.00 C ATOM 1672 CE LYS B 45 7.929 -8.914 10.625 1.00 0.00 C ATOM 1673 NZ LYS B 45 7.404 -10.302 10.715 1.00 0.00 N ATOM 0 H LYS B 45 5.775 -4.595 6.703 1.00 0.00 H new ATOM 0 HA LYS B 45 8.156 -6.055 6.674 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.262 -4.803 8.594 1.00 0.00 H new ATOM 0 HB3 LYS B 45 5.924 -5.927 8.726 1.00 0.00 H new ATOM 0 HG2 LYS B 45 8.808 -6.832 8.994 1.00 0.00 H new ATOM 0 HG3 LYS B 45 7.896 -6.216 10.357 1.00 0.00 H new ATOM 0 HD2 LYS B 45 6.141 -7.976 9.916 1.00 0.00 H new ATOM 0 HD3 LYS B 45 7.161 -8.627 8.648 1.00 0.00 H new ATOM 0 HE2 LYS B 45 8.987 -8.942 10.364 1.00 0.00 H new ATOM 0 HE3 LYS B 45 7.854 -8.433 11.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 7.174 -10.523 11.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 6.546 -10.387 10.133 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 8.124 -10.969 10.370 1.00 0.00 H new ATOM 1687 N GLU B 46 5.404 -7.891 6.703 1.00 0.00 N ATOM 1688 CA GLU B 46 4.893 -9.233 6.474 1.00 0.00 C ATOM 1689 C GLU B 46 5.046 -9.603 5.003 1.00 0.00 C ATOM 1690 O GLU B 46 5.173 -10.773 4.657 1.00 0.00 O ATOM 1691 CB GLU B 46 3.428 -9.330 6.900 1.00 0.00 C ATOM 1692 CG GLU B 46 3.171 -10.383 7.967 1.00 0.00 C ATOM 1693 CD GLU B 46 3.827 -10.053 9.294 1.00 0.00 C ATOM 1694 OE1 GLU B 46 5.014 -10.386 9.482 1.00 0.00 O ATOM 1695 OE2 GLU B 46 3.152 -9.468 10.169 1.00 0.00 O ATOM 0 H GLU B 46 4.685 -7.193 6.892 1.00 0.00 H new ATOM 0 HA GLU B 46 5.470 -9.935 7.076 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.102 -8.359 7.274 1.00 0.00 H new ATOM 0 HB3 GLU B 46 2.818 -9.555 6.025 1.00 0.00 H new ATOM 0 HG2 GLU B 46 2.096 -10.488 8.115 1.00 0.00 H new ATOM 0 HG3 GLU B 46 3.540 -11.347 7.615 1.00 0.00 H new ATOM 1702 N TYR B 47 5.052 -8.591 4.146 1.00 0.00 N ATOM 1703 CA TYR B 47 5.253 -8.791 2.724 1.00 0.00 C ATOM 1704 C TYR B 47 6.646 -9.361 2.492 1.00 0.00 C ATOM 1705 O TYR B 47 6.817 -10.370 1.806 1.00 0.00 O ATOM 1706 CB TYR B 47 5.084 -7.468 1.961 1.00 0.00 C ATOM 1707 CG TYR B 47 5.197 -7.604 0.457 1.00 0.00 C ATOM 1708 CD1 TYR B 47 4.077 -7.878 -0.318 1.00 0.00 C ATOM 1709 CD2 TYR B 47 6.419 -7.460 -0.186 1.00 0.00 C ATOM 1710 CE1 TYR B 47 4.174 -8.007 -1.690 1.00 0.00 C ATOM 1711 CE2 TYR B 47 6.524 -7.590 -1.558 1.00 0.00 C ATOM 1712 CZ TYR B 47 5.399 -7.861 -2.306 1.00 0.00 C ATOM 1713 OH TYR B 47 5.507 -8.003 -3.673 1.00 0.00 O ATOM 0 H TYR B 47 4.918 -7.617 4.418 1.00 0.00 H new ATOM 0 HA TYR B 47 4.506 -9.492 2.352 1.00 0.00 H new ATOM 0 HB2 TYR B 47 4.111 -7.042 2.205 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.837 -6.761 2.309 1.00 0.00 H new ATOM 0 HD1 TYR B 47 3.115 -7.992 0.160 1.00 0.00 H new ATOM 0 HD2 TYR B 47 7.303 -7.243 0.396 1.00 0.00 H new ATOM 0 HE1 TYR B 47 3.294 -8.221 -2.278 1.00 0.00 H new ATOM 0 HE2 TYR B 47 7.483 -7.480 -2.042 1.00 0.00 H new ATOM 0 HH TYR B 47 6.439 -7.867 -3.943 1.00 0.00 H new ATOM 1723 N LEU B 48 7.637 -8.715 3.090 1.00 0.00 N ATOM 1724 CA LEU B 48 9.014 -9.169 3.000 1.00 0.00 C ATOM 1725 C LEU B 48 9.167 -10.504 3.713 1.00 0.00 C ATOM 1726 O LEU B 48 9.770 -11.436 3.194 1.00 0.00 O ATOM 1727 CB LEU B 48 9.957 -8.142 3.633 1.00 0.00 C ATOM 1728 CG LEU B 48 9.800 -6.703 3.138 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.788 -5.788 3.845 1.00 0.00 C ATOM 1730 CD2 LEU B 48 9.989 -6.630 1.630 1.00 0.00 C ATOM 0 H LEU B 48 7.510 -7.869 3.646 1.00 0.00 H new ATOM 0 HA LEU B 48 9.272 -9.287 1.948 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.806 -8.154 4.712 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.984 -8.459 3.452 1.00 0.00 H new ATOM 0 HG LEU B 48 8.790 -6.367 3.372 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.663 -4.768 3.482 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.605 -5.815 4.919 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.805 -6.124 3.642 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.873 -5.598 1.298 1.00 0.00 H new ATOM 0 HD22 LEU B 48 10.986 -6.985 1.371 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.243 -7.255 1.139 1.00 0.00 H new ATOM 1742 N ASP B 49 8.582 -10.578 4.899 1.00 0.00 N ATOM 1743 CA ASP B 49 8.683 -11.747 5.764 1.00 0.00 C ATOM 1744 C ASP B 49 8.123 -13.000 5.087 1.00 0.00 C ATOM 1745 O ASP B 49 8.721 -14.072 5.148 1.00 0.00 O ATOM 1746 CB ASP B 49 7.922 -11.471 7.060 1.00 0.00 C ATOM 1747 CG ASP B 49 8.394 -12.319 8.221 1.00 0.00 C ATOM 1748 OD1 ASP B 49 8.098 -13.528 8.237 1.00 0.00 O ATOM 1749 OD2 ASP B 49 9.042 -11.766 9.137 1.00 0.00 O ATOM 0 H ASP B 49 8.019 -9.824 5.292 1.00 0.00 H new ATOM 0 HA ASP B 49 9.736 -11.932 5.976 1.00 0.00 H new ATOM 0 HB2 ASP B 49 8.030 -10.418 7.320 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.860 -11.651 6.895 1.00 0.00 H new ATOM 1754 N ASN B 50 6.980 -12.854 4.426 1.00 0.00 N ATOM 1755 CA ASN B 50 6.305 -13.991 3.800 1.00 0.00 C ATOM 1756 C ASN B 50 6.950 -14.362 2.471 1.00 0.00 C ATOM 1757 O ASN B 50 6.818 -15.493 2.000 1.00 0.00 O ATOM 1758 CB ASN B 50 4.813 -13.693 3.583 1.00 0.00 C ATOM 1759 CG ASN B 50 3.984 -13.800 4.855 1.00 0.00 C ATOM 1760 OD1 ASN B 50 2.820 -14.195 4.813 1.00 0.00 O ATOM 1761 ND2 ASN B 50 4.567 -13.451 5.991 1.00 0.00 N ATOM 0 H ASN B 50 6.500 -11.962 4.308 1.00 0.00 H new ATOM 0 HA ASN B 50 6.405 -14.836 4.481 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.707 -12.689 3.172 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.416 -14.385 2.840 1.00 0.00 H new ATOM 0 HD21 ASN B 50 4.049 -13.505 6.868 1.00 0.00 H new ATOM 0 HD22 ASN B 50 5.534 -13.128 5.989 1.00 0.00 H new ATOM 1768 N HIS B 51 7.651 -13.415 1.864 1.00 0.00 N ATOM 1769 CA HIS B 51 8.318 -13.679 0.596 1.00 0.00 C ATOM 1770 C HIS B 51 9.728 -14.208 0.831 1.00 0.00 C ATOM 1771 O HIS B 51 10.202 -15.075 0.101 1.00 0.00 O ATOM 1772 CB HIS B 51 8.365 -12.426 -0.282 1.00 0.00 C ATOM 1773 CG HIS B 51 7.097 -12.175 -1.045 1.00 0.00 C ATOM 1774 ND1 HIS B 51 6.992 -12.365 -2.405 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.882 -11.733 -0.640 1.00 0.00 C ATOM 1776 CE1 HIS B 51 5.772 -12.050 -2.802 1.00 0.00 C ATOM 1777 NE2 HIS B 51 5.079 -11.666 -1.749 1.00 0.00 N ATOM 0 H HIS B 51 7.772 -12.468 2.223 1.00 0.00 H new ATOM 0 HA HIS B 51 7.739 -14.439 0.071 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.578 -11.561 0.346 1.00 0.00 H new ATOM 0 HB3 HIS B 51 9.191 -12.518 -0.988 1.00 0.00 H new ATOM 0 HD2 HIS B 51 5.598 -11.480 0.371 1.00 0.00 H new ATOM 0 HE1 HIS B 51 5.405 -12.099 -3.817 1.00 0.00 H new ATOM 0 HE2 HIS B 51 4.104 -11.367 -1.758 1.00 0.00 H new