USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 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 96 THR OG1 : rot 86:sc= 0.306 USER MOD Set 1.2: A 97 ASN :FLIP amide:sc= 0.317 F(o=0.069,f=0.62) USER MOD Set 2.1: A 65 LYS NZ :NH3+ 171:sc= 0.19 (180deg=-0.0152) USER MOD Set 2.2: A 68 SER OG : rot -55:sc= 0.692 USER MOD Set 3.1: A 23 TYR OH : rot 144:sc= -1.12! USER MOD Set 3.2: A 112 HIS :FLIP no HE2:sc= -17.9! C(o=-22!,f=-19!) USER MOD Single : A 12 TYR OH : rot 167:sc= -0.447 USER MOD Single : A 18 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 THR OG1 : rot 177:sc= -1.87 USER MOD Single : A 24 SER OG : rot -77:sc= -0.418 USER MOD Single : A 27 SER OG : rot -78:sc= 0.634 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.414 K(o=-0.41,f=-1.5) USER MOD Single : A 30 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.38) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= -0.165 (180deg=-0.768) USER MOD Single : A 34 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -1.25 K(o=-1.2,f=-2.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -143:sc= -1.97! (180deg=-3.03) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.82 K(o=-2.8,f=-3.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -158:sc= -8.4! (180deg=-10.5!) USER MOD Single : A 73 THR OG1 : rot 51:sc= -5.73! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.199) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot -70:sc= -2.7! USER MOD Single : A 83 SER OG : rot -49:sc= 1.13 USER MOD Single : A 84 ASN : amide:sc= -0.123 K(o=-0.12,f=-0.63) USER MOD Single : A 87 ASN : amide:sc= -2.53 K(o=-2.5,f=-7.3!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot -50:sc= 0.0295 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl -139:sc= 0 (180deg=-0.0783) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -2.086 5.041 15.172 1.00 0.00 N ATOM 194 CA TYR A 12 -2.390 6.013 14.120 1.00 0.00 C ATOM 195 C TYR A 12 -3.640 5.614 13.337 1.00 0.00 C ATOM 196 O TYR A 12 -3.553 4.960 12.297 1.00 0.00 O ATOM 197 CB TYR A 12 -1.189 6.157 13.166 1.00 0.00 C ATOM 198 CG TYR A 12 -0.277 4.945 13.144 1.00 0.00 C ATOM 199 CD1 TYR A 12 0.377 4.525 14.297 1.00 0.00 C ATOM 200 CD2 TYR A 12 -0.096 4.204 11.983 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.181 3.407 14.296 1.00 0.00 C ATOM 202 CE2 TYR A 12 0.715 3.085 11.972 1.00 0.00 C ATOM 203 CZ TYR A 12 1.351 2.689 13.131 1.00 0.00 C ATOM 204 OH TYR A 12 2.153 1.571 13.125 1.00 0.00 O ATOM 0 HA TYR A 12 -2.585 6.973 14.597 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.558 6.341 12.157 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.608 7.032 13.457 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.252 5.087 15.211 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -0.597 4.507 11.075 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.676 3.094 15.203 1.00 0.00 H new ATOM 0 HE2 TYR A 12 0.851 2.523 11.060 1.00 0.00 H new ATOM 0 HH TYR A 12 2.001 1.064 12.300 1.00 0.00 H new ATOM 214 N GLY A 13 -4.800 6.009 13.849 1.00 0.00 N ATOM 215 CA GLY A 13 -6.053 5.682 13.194 1.00 0.00 C ATOM 216 C GLY A 13 -6.140 6.233 11.783 1.00 0.00 C ATOM 217 O GLY A 13 -6.698 5.590 10.893 1.00 0.00 O ATOM 0 H GLY A 13 -4.895 6.551 14.708 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -6.170 4.599 13.164 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -6.880 6.076 13.785 1.00 0.00 H new ATOM 221 N ILE A 14 -5.594 7.427 11.575 1.00 0.00 N ATOM 222 CA ILE A 14 -5.623 8.058 10.262 1.00 0.00 C ATOM 223 C ILE A 14 -4.860 7.229 9.233 1.00 0.00 C ATOM 224 O ILE A 14 -5.360 6.973 8.138 1.00 0.00 O ATOM 225 CB ILE A 14 -5.039 9.486 10.304 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.158 10.156 8.932 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.587 9.456 10.759 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.566 10.156 8.377 1.00 0.00 C ATOM 0 H ILE A 14 -5.127 7.975 12.298 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.670 8.118 9.966 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.613 10.071 11.023 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.806 11.185 9.008 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.500 9.645 8.229 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.192 10.472 10.782 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.527 9.020 11.756 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.000 8.855 10.064 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.573 10.647 7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.914 9.129 8.268 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.226 10.693 9.059 1.00 0.00 H new ATOM 240 N GLU A 15 -3.652 6.805 9.590 1.00 0.00 N ATOM 241 CA GLU A 15 -2.838 6.000 8.689 1.00 0.00 C ATOM 242 C GLU A 15 -3.420 4.599 8.562 1.00 0.00 C ATOM 243 O GLU A 15 -3.389 3.996 7.490 1.00 0.00 O ATOM 244 CB GLU A 15 -1.392 5.934 9.186 1.00 0.00 C ATOM 245 CG GLU A 15 -0.425 6.752 8.345 1.00 0.00 C ATOM 246 CD GLU A 15 0.568 7.529 9.187 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.643 6.975 9.498 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.270 8.690 9.536 1.00 0.00 O ATOM 0 H GLU A 15 -3.218 7.004 10.491 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.842 6.470 7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.354 6.287 10.217 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.065 4.894 9.193 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.117 6.088 7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.989 7.446 7.722 1.00 0.00 H new ATOM 255 N GLY A 16 -3.964 4.090 9.662 1.00 0.00 N ATOM 256 CA GLY A 16 -4.561 2.771 9.648 1.00 0.00 C ATOM 257 C GLY A 16 -5.883 2.761 8.911 1.00 0.00 C ATOM 258 O GLY A 16 -6.274 1.747 8.333 1.00 0.00 O ATOM 0 H GLY A 16 -4.001 4.568 10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.876 2.067 9.176 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.713 2.430 10.672 1.00 0.00 H new ATOM 262 N ARG A 17 -6.571 3.901 8.924 1.00 0.00 N ATOM 263 CA ARG A 17 -7.853 4.026 8.243 1.00 0.00 C ATOM 264 C ARG A 17 -7.659 4.009 6.731 1.00 0.00 C ATOM 265 O ARG A 17 -8.559 3.620 5.987 1.00 0.00 O ATOM 266 CB ARG A 17 -8.559 5.315 8.668 1.00 0.00 C ATOM 267 CG ARG A 17 -9.476 5.140 9.866 1.00 0.00 C ATOM 268 CD ARG A 17 -10.698 6.039 9.768 1.00 0.00 C ATOM 269 NE ARG A 17 -11.797 5.565 10.605 1.00 0.00 N ATOM 270 CZ ARG A 17 -13.044 6.021 10.521 1.00 0.00 C ATOM 271 NH1 ARG A 17 -13.356 6.963 9.639 1.00 0.00 N ATOM 272 NH2 ARG A 17 -13.984 5.534 11.320 1.00 0.00 N ATOM 0 H ARG A 17 -6.261 4.749 9.399 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.475 3.176 8.524 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.809 6.070 8.903 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.141 5.694 7.828 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.793 4.099 9.934 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.929 5.367 10.781 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.427 7.052 10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.028 6.089 8.731 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.597 4.841 11.295 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.638 7.341 9.021 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.314 7.309 9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.751 4.810 11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.940 5.884 11.255 1.00 0.00 H new ATOM 286 N TYR A 18 -6.477 4.423 6.281 1.00 0.00 N ATOM 287 CA TYR A 18 -6.166 4.442 4.857 1.00 0.00 C ATOM 288 C TYR A 18 -6.391 3.066 4.250 1.00 0.00 C ATOM 289 O TYR A 18 -7.090 2.919 3.249 1.00 0.00 O ATOM 290 CB TYR A 18 -4.712 4.869 4.639 1.00 0.00 C ATOM 291 CG TYR A 18 -4.553 6.285 4.136 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.060 7.358 4.853 1.00 0.00 C ATOM 293 CD2 TYR A 18 -3.887 6.544 2.944 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.909 8.653 4.399 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.733 7.837 2.482 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.246 8.889 3.213 1.00 0.00 C ATOM 297 OH TYR A 18 -4.094 10.177 2.757 1.00 0.00 O ATOM 0 H TYR A 18 -5.721 4.749 6.882 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.826 5.159 4.369 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.170 4.766 5.579 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.248 4.187 3.926 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.581 7.178 5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.484 5.722 2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.308 9.478 4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.214 8.023 1.554 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.053 10.791 3.519 1.00 0.00 H new ATOM 307 N ALA A 19 -5.793 2.061 4.875 1.00 0.00 N ATOM 308 CA ALA A 19 -5.927 0.692 4.410 1.00 0.00 C ATOM 309 C ALA A 19 -7.356 0.205 4.587 1.00 0.00 C ATOM 310 O ALA A 19 -7.902 -0.467 3.717 1.00 0.00 O ATOM 311 CB ALA A 19 -4.955 -0.215 5.149 1.00 0.00 C ATOM 0 H ALA A 19 -5.211 2.171 5.705 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.686 0.662 3.347 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.067 -1.238 4.790 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.934 0.123 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.166 -0.181 6.218 1.00 0.00 H new ATOM 317 N THR A 20 -7.961 0.553 5.716 1.00 0.00 N ATOM 318 CA THR A 20 -9.331 0.146 5.987 1.00 0.00 C ATOM 319 C THR A 20 -10.302 0.858 5.059 1.00 0.00 C ATOM 320 O THR A 20 -11.406 0.372 4.821 1.00 0.00 O ATOM 321 CB THR A 20 -9.703 0.398 7.447 1.00 0.00 C ATOM 322 OG1 THR A 20 -8.617 0.966 8.157 1.00 0.00 O ATOM 323 CG2 THR A 20 -10.115 -0.868 8.166 1.00 0.00 C ATOM 0 H THR A 20 -7.528 1.111 6.452 1.00 0.00 H new ATOM 0 HA THR A 20 -9.401 -0.926 5.800 1.00 0.00 H new ATOM 0 HB THR A 20 -10.548 1.086 7.423 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.894 1.164 9.076 1.00 0.00 H new ATOM 0 HG21 THR A 20 -10.369 -0.633 9.200 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.982 -1.303 7.669 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.291 -1.581 8.148 1.00 0.00 H new ATOM 331 N ALA A 21 -9.892 2.003 4.523 1.00 0.00 N ATOM 332 CA ALA A 21 -10.748 2.744 3.613 1.00 0.00 C ATOM 333 C ALA A 21 -10.509 2.316 2.172 1.00 0.00 C ATOM 334 O ALA A 21 -11.141 2.830 1.249 1.00 0.00 O ATOM 335 CB ALA A 21 -10.542 4.242 3.777 1.00 0.00 C ATOM 0 H ALA A 21 -8.984 2.431 4.702 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.784 2.516 3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.193 4.777 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.782 4.532 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.503 4.492 3.563 1.00 0.00 H new ATOM 341 N LEU A 22 -9.622 1.346 1.987 1.00 0.00 N ATOM 342 CA LEU A 22 -9.335 0.820 0.661 1.00 0.00 C ATOM 343 C LEU A 22 -9.669 -0.649 0.654 1.00 0.00 C ATOM 344 O LEU A 22 -10.284 -1.163 -0.281 1.00 0.00 O ATOM 345 CB LEU A 22 -7.873 1.041 0.276 1.00 0.00 C ATOM 346 CG LEU A 22 -7.507 0.565 -1.133 1.00 0.00 C ATOM 347 CD1 LEU A 22 -6.802 1.669 -1.906 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.640 -0.684 -1.065 1.00 0.00 C ATOM 0 H LEU A 22 -9.090 0.909 2.739 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.940 1.348 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.646 2.104 0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.239 0.524 0.996 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.427 0.315 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.550 1.311 -2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.460 2.534 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.890 1.954 -1.382 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.389 -1.008 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.724 -0.462 -0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.185 -1.478 -0.554 1.00 0.00 H new ATOM 360 N TYR A 23 -9.295 -1.312 1.733 1.00 0.00 N ATOM 361 CA TYR A 23 -9.591 -2.709 1.890 1.00 0.00 C ATOM 362 C TYR A 23 -11.066 -2.863 2.255 1.00 0.00 C ATOM 363 O TYR A 23 -11.647 -3.926 2.055 1.00 0.00 O ATOM 364 CB TYR A 23 -8.669 -3.331 2.949 1.00 0.00 C ATOM 365 CG TYR A 23 -9.387 -3.896 4.149 1.00 0.00 C ATOM 366 CD1 TYR A 23 -10.206 -5.003 4.021 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.254 -3.319 5.402 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.880 -5.522 5.101 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.919 -3.828 6.491 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.738 -4.929 6.340 1.00 0.00 C ATOM 371 OH TYR A 23 -11.406 -5.438 7.429 1.00 0.00 O ATOM 0 H TYR A 23 -8.784 -0.896 2.512 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.409 -3.241 0.956 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.086 -4.125 2.483 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.962 -2.573 3.288 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.318 -5.469 3.053 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.617 -2.455 5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.516 -6.387 4.981 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.802 -3.369 7.461 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.843 -5.353 8.227 1.00 0.00 H new ATOM 381 N SER A 24 -11.685 -1.787 2.775 1.00 0.00 N ATOM 382 CA SER A 24 -13.100 -1.834 3.132 1.00 0.00 C ATOM 383 C SER A 24 -13.896 -2.419 1.975 1.00 0.00 C ATOM 384 O SER A 24 -14.800 -3.233 2.170 1.00 0.00 O ATOM 385 CB SER A 24 -13.617 -0.439 3.481 1.00 0.00 C ATOM 386 OG SER A 24 -12.894 0.564 2.788 1.00 0.00 O ATOM 0 H SER A 24 -11.230 -0.892 2.952 1.00 0.00 H new ATOM 0 HA SER A 24 -13.222 -2.468 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.675 -0.367 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.532 -0.275 4.555 1.00 0.00 H new ATOM 0 HG SER A 24 -12.024 0.697 3.219 1.00 0.00 H new ATOM 392 N ALA A 25 -13.519 -2.024 0.763 1.00 0.00 N ATOM 393 CA ALA A 25 -14.158 -2.535 -0.437 1.00 0.00 C ATOM 394 C ALA A 25 -13.659 -3.945 -0.700 1.00 0.00 C ATOM 395 O ALA A 25 -14.409 -4.816 -1.143 1.00 0.00 O ATOM 396 CB ALA A 25 -13.871 -1.630 -1.626 1.00 0.00 C ATOM 0 H ALA A 25 -12.773 -1.351 0.589 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.238 -2.555 -0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.359 -2.031 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.253 -0.630 -1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.795 -1.580 -1.794 1.00 0.00 H new ATOM 402 N ALA A 26 -12.383 -4.162 -0.397 1.00 0.00 N ATOM 403 CA ALA A 26 -11.767 -5.471 -0.572 1.00 0.00 C ATOM 404 C ALA A 26 -12.390 -6.494 0.371 1.00 0.00 C ATOM 405 O ALA A 26 -12.445 -7.682 0.062 1.00 0.00 O ATOM 406 CB ALA A 26 -10.269 -5.384 -0.333 1.00 0.00 C ATOM 0 H ALA A 26 -11.756 -3.447 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.944 -5.796 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.821 -6.369 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.827 -4.685 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.082 -5.036 0.683 1.00 0.00 H new ATOM 412 N SER A 27 -12.856 -6.022 1.525 1.00 0.00 N ATOM 413 CA SER A 27 -13.478 -6.890 2.518 1.00 0.00 C ATOM 414 C SER A 27 -14.777 -7.474 1.977 1.00 0.00 C ATOM 415 O SER A 27 -15.011 -8.680 2.059 1.00 0.00 O ATOM 416 CB SER A 27 -13.749 -6.110 3.808 1.00 0.00 C ATOM 417 OG SER A 27 -15.048 -5.540 3.802 1.00 0.00 O ATOM 0 H SER A 27 -12.814 -5.039 1.795 1.00 0.00 H new ATOM 0 HA SER A 27 -12.793 -7.709 2.738 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.645 -6.774 4.666 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.004 -5.322 3.923 1.00 0.00 H new ATOM 0 HG SER A 27 -15.050 -4.736 3.241 1.00 0.00 H new ATOM 423 N LYS A 28 -15.619 -6.607 1.415 1.00 0.00 N ATOM 424 CA LYS A 28 -16.893 -7.036 0.850 1.00 0.00 C ATOM 425 C LYS A 28 -16.677 -8.162 -0.155 1.00 0.00 C ATOM 426 O LYS A 28 -17.515 -9.051 -0.300 1.00 0.00 O ATOM 427 CB LYS A 28 -17.600 -5.860 0.176 1.00 0.00 C ATOM 428 CG LYS A 28 -17.946 -4.729 1.131 1.00 0.00 C ATOM 429 CD LYS A 28 -19.159 -3.948 0.653 1.00 0.00 C ATOM 430 CE LYS A 28 -20.029 -3.504 1.819 1.00 0.00 C ATOM 431 NZ LYS A 28 -19.570 -2.209 2.392 1.00 0.00 N ATOM 0 H LYS A 28 -15.440 -5.606 1.340 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.522 -7.405 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.963 -5.471 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.515 -6.219 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.142 -5.136 2.123 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.093 -4.057 1.225 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.832 -3.075 0.088 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.746 -4.566 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.062 -3.407 1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -20.015 -4.270 2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.189 -1.941 3.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.593 -2.308 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.607 -1.472 1.659 1.00 0.00 H new ATOM 445 N GLN A 29 -15.538 -8.117 -0.838 1.00 0.00 N ATOM 446 CA GLN A 29 -15.196 -9.135 -1.821 1.00 0.00 C ATOM 447 C GLN A 29 -14.461 -10.290 -1.153 1.00 0.00 C ATOM 448 O GLN A 29 -14.712 -11.454 -1.462 1.00 0.00 O ATOM 449 CB GLN A 29 -14.332 -8.534 -2.931 1.00 0.00 C ATOM 450 CG GLN A 29 -15.137 -7.874 -4.039 1.00 0.00 C ATOM 451 CD GLN A 29 -16.006 -6.741 -3.531 1.00 0.00 C ATOM 452 OE1 GLN A 29 -17.062 -6.970 -2.941 1.00 0.00 O ATOM 453 NE2 GLN A 29 -15.567 -5.509 -3.760 1.00 0.00 N ATOM 0 H GLN A 29 -14.836 -7.385 -0.728 1.00 0.00 H new ATOM 0 HA GLN A 29 -16.118 -9.514 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.657 -7.797 -2.496 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.712 -9.319 -3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.456 -7.492 -4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.766 -8.622 -4.521 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.686 -5.365 -4.253 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.111 -4.707 -3.443 1.00 0.00 H new ATOM 462 N ASN A 30 -13.544 -9.947 -0.241 1.00 0.00 N ATOM 463 CA ASN A 30 -12.741 -10.929 0.492 1.00 0.00 C ATOM 464 C ASN A 30 -11.352 -11.015 -0.114 1.00 0.00 C ATOM 465 O ASN A 30 -10.718 -12.071 -0.110 1.00 0.00 O ATOM 466 CB ASN A 30 -13.396 -12.317 0.502 1.00 0.00 C ATOM 467 CG ASN A 30 -12.858 -13.202 1.610 1.00 0.00 C ATOM 468 OD1 ASN A 30 -11.890 -13.937 1.416 1.00 0.00 O ATOM 469 ND2 ASN A 30 -13.486 -13.136 2.778 1.00 0.00 N ATOM 0 H ASN A 30 -13.339 -8.980 0.009 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.672 -10.592 1.526 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.474 -12.206 0.620 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.229 -12.802 -0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.170 -13.709 3.560 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.285 -12.512 2.893 1.00 0.00 H new ATOM 476 N LYS A 31 -10.887 -9.888 -0.640 1.00 0.00 N ATOM 477 CA LYS A 31 -9.576 -9.819 -1.257 1.00 0.00 C ATOM 478 C LYS A 31 -8.496 -9.494 -0.231 1.00 0.00 C ATOM 479 O LYS A 31 -7.347 -9.263 -0.595 1.00 0.00 O ATOM 480 CB LYS A 31 -9.570 -8.772 -2.371 1.00 0.00 C ATOM 481 CG LYS A 31 -10.162 -9.271 -3.679 1.00 0.00 C ATOM 482 CD LYS A 31 -9.129 -10.014 -4.510 1.00 0.00 C ATOM 483 CE LYS A 31 -9.769 -11.115 -5.340 1.00 0.00 C ATOM 484 NZ LYS A 31 -10.411 -12.153 -4.485 1.00 0.00 N ATOM 0 H LYS A 31 -11.404 -9.009 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.356 -10.798 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.129 -7.897 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.545 -8.447 -2.547 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.005 -9.930 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.551 -8.427 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.617 -9.312 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.373 -10.445 -3.853 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.515 -10.681 -6.006 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.012 -11.581 -5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.409 -13.065 -4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.882 -12.245 -3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.391 -11.874 -4.278 1.00 0.00 H new ATOM 498 N LEU A 32 -8.860 -9.482 1.057 1.00 0.00 N ATOM 499 CA LEU A 32 -7.903 -9.193 2.116 1.00 0.00 C ATOM 500 C LEU A 32 -6.600 -9.954 1.899 1.00 0.00 C ATOM 501 O LEU A 32 -5.531 -9.488 2.281 1.00 0.00 O ATOM 502 CB LEU A 32 -8.523 -9.552 3.462 1.00 0.00 C ATOM 503 CG LEU A 32 -9.450 -8.478 4.027 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.627 -7.418 4.743 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.291 -7.856 2.919 1.00 0.00 C ATOM 0 H LEU A 32 -9.808 -9.669 1.384 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.665 -8.129 2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.083 -10.481 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.724 -9.741 4.179 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.131 -8.937 4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.291 -6.653 5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.069 -7.879 5.558 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.931 -6.961 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.944 -7.093 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.635 -7.401 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.896 -8.629 2.444 1.00 0.00 H new ATOM 517 N GLU A 33 -6.696 -11.113 1.260 1.00 0.00 N ATOM 518 CA GLU A 33 -5.516 -11.919 0.971 1.00 0.00 C ATOM 519 C GLU A 33 -4.744 -11.312 -0.197 1.00 0.00 C ATOM 520 O GLU A 33 -3.515 -11.375 -0.248 1.00 0.00 O ATOM 521 CB GLU A 33 -5.916 -13.360 0.648 1.00 0.00 C ATOM 522 CG GLU A 33 -4.775 -14.354 0.792 1.00 0.00 C ATOM 523 CD GLU A 33 -5.251 -15.792 0.781 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.836 -16.232 1.794 1.00 0.00 O ATOM 525 OE2 GLU A 33 -5.040 -16.481 -0.240 1.00 0.00 O ATOM 0 H GLU A 33 -7.575 -11.515 0.933 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.876 -11.929 1.853 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.732 -13.658 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.298 -13.403 -0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.063 -14.205 -0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.243 -14.158 1.723 1.00 0.00 H new ATOM 532 N GLN A 34 -5.482 -10.712 -1.126 1.00 0.00 N ATOM 533 CA GLN A 34 -4.889 -10.071 -2.294 1.00 0.00 C ATOM 534 C GLN A 34 -4.522 -8.618 -1.998 1.00 0.00 C ATOM 535 O GLN A 34 -3.822 -7.977 -2.779 1.00 0.00 O ATOM 536 CB GLN A 34 -5.855 -10.135 -3.478 1.00 0.00 C ATOM 537 CG GLN A 34 -5.255 -9.631 -4.779 1.00 0.00 C ATOM 538 CD GLN A 34 -4.107 -10.494 -5.266 1.00 0.00 C ATOM 539 OE1 GLN A 34 -3.935 -11.628 -4.820 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.313 -9.956 -6.186 1.00 0.00 N ATOM 0 H GLN A 34 -6.500 -10.657 -1.091 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.975 -10.609 -2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.183 -11.166 -3.614 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.742 -9.547 -3.245 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.031 -9.600 -5.544 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.903 -8.609 -4.640 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.494 -9.012 -6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.523 -10.487 -6.551 1.00 0.00 H new ATOM 549 N VAL A 35 -4.995 -8.105 -0.863 1.00 0.00 N ATOM 550 CA VAL A 35 -4.706 -6.729 -0.469 1.00 0.00 C ATOM 551 C VAL A 35 -3.732 -6.696 0.704 1.00 0.00 C ATOM 552 O VAL A 35 -2.954 -5.753 0.850 1.00 0.00 O ATOM 553 CB VAL A 35 -5.985 -5.956 -0.064 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.856 -4.490 -0.446 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.241 -6.567 -0.686 1.00 0.00 C ATOM 0 H VAL A 35 -5.578 -8.620 -0.203 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.265 -6.246 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.090 -6.033 1.018 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.762 -3.957 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.999 -4.054 0.067 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.715 -4.406 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.116 -5.995 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.158 -6.543 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.347 -7.599 -0.353 1.00 0.00 H new ATOM 565 N GLU A 36 -3.774 -7.734 1.535 1.00 0.00 N ATOM 566 CA GLU A 36 -2.888 -7.825 2.693 1.00 0.00 C ATOM 567 C GLU A 36 -1.487 -8.194 2.241 1.00 0.00 C ATOM 568 O GLU A 36 -0.507 -7.564 2.637 1.00 0.00 O ATOM 569 CB GLU A 36 -3.404 -8.858 3.695 1.00 0.00 C ATOM 570 CG GLU A 36 -2.542 -8.979 4.942 1.00 0.00 C ATOM 571 CD GLU A 36 -1.636 -10.194 4.909 1.00 0.00 C ATOM 572 OE1 GLU A 36 -2.127 -11.291 4.568 1.00 0.00 O ATOM 573 OE2 GLU A 36 -0.436 -10.049 5.223 1.00 0.00 O ATOM 0 H GLU A 36 -4.411 -8.523 1.429 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.864 -6.853 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.419 -8.591 3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.459 -9.830 3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.934 -8.080 5.048 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.185 -9.034 5.820 1.00 0.00 H new ATOM 580 N LYS A 37 -1.405 -9.199 1.379 1.00 0.00 N ATOM 581 CA LYS A 37 -0.125 -9.624 0.841 1.00 0.00 C ATOM 582 C LYS A 37 0.411 -8.527 -0.060 1.00 0.00 C ATOM 583 O LYS A 37 1.620 -8.355 -0.211 1.00 0.00 O ATOM 584 CB LYS A 37 -0.272 -10.933 0.061 1.00 0.00 C ATOM 585 CG LYS A 37 -0.707 -12.108 0.920 1.00 0.00 C ATOM 586 CD LYS A 37 0.440 -12.630 1.771 1.00 0.00 C ATOM 587 CE LYS A 37 -0.069 -13.342 3.015 1.00 0.00 C ATOM 588 NZ LYS A 37 0.940 -14.289 3.564 1.00 0.00 N ATOM 0 H LYS A 37 -2.207 -9.731 1.040 1.00 0.00 H new ATOM 0 HA LYS A 37 0.572 -9.803 1.659 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.999 -10.790 -0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.680 -11.173 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.531 -11.803 1.565 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.081 -12.908 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.049 -13.315 1.182 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.085 -11.801 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.327 -12.605 3.775 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.983 -13.885 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.555 -14.754 4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 1.167 -15.008 2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.803 -13.768 3.818 1.00 0.00 H new ATOM 602 N GLU A 38 -0.517 -7.769 -0.641 1.00 0.00 N ATOM 603 CA GLU A 38 -0.171 -6.664 -1.510 1.00 0.00 C ATOM 604 C GLU A 38 0.007 -5.378 -0.701 1.00 0.00 C ATOM 605 O GLU A 38 0.108 -4.289 -1.260 1.00 0.00 O ATOM 606 CB GLU A 38 -1.263 -6.486 -2.560 1.00 0.00 C ATOM 607 CG GLU A 38 -1.137 -7.433 -3.741 1.00 0.00 C ATOM 608 CD GLU A 38 -1.045 -8.886 -3.317 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.015 -9.266 -2.721 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.003 -9.643 -3.580 1.00 0.00 O ATOM 0 H GLU A 38 -1.520 -7.908 -0.519 1.00 0.00 H new ATOM 0 HA GLU A 38 0.774 -6.883 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.235 -6.634 -2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.239 -5.459 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.997 -7.304 -4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.251 -7.170 -4.319 1.00 0.00 H new ATOM 617 N LEU A 39 0.060 -5.513 0.621 1.00 0.00 N ATOM 618 CA LEU A 39 0.247 -4.368 1.500 1.00 0.00 C ATOM 619 C LEU A 39 1.634 -4.427 2.124 1.00 0.00 C ATOM 620 O LEU A 39 2.273 -3.399 2.349 1.00 0.00 O ATOM 621 CB LEU A 39 -0.829 -4.338 2.588 1.00 0.00 C ATOM 622 CG LEU A 39 -1.660 -3.053 2.639 1.00 0.00 C ATOM 623 CD1 LEU A 39 -2.879 -3.171 1.740 1.00 0.00 C ATOM 624 CD2 LEU A 39 -2.076 -2.745 4.070 1.00 0.00 C ATOM 0 H LEU A 39 -0.024 -6.407 1.106 1.00 0.00 H new ATOM 0 HA LEU A 39 0.157 -3.454 0.913 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.502 -5.182 2.437 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.350 -4.482 3.556 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.046 -2.229 2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.458 -2.249 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.558 -3.344 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.497 -4.005 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.666 -1.829 4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.673 -3.569 4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.187 -2.617 4.688 1.00 0.00 H new ATOM 636 N LEU A 40 2.100 -5.645 2.381 1.00 0.00 N ATOM 637 CA LEU A 40 3.420 -5.849 2.958 1.00 0.00 C ATOM 638 C LEU A 40 4.496 -5.613 1.904 1.00 0.00 C ATOM 639 O LEU A 40 5.628 -5.255 2.229 1.00 0.00 O ATOM 640 CB LEU A 40 3.542 -7.265 3.525 1.00 0.00 C ATOM 641 CG LEU A 40 3.070 -7.427 4.971 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.497 -8.819 5.192 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.215 -7.160 5.936 1.00 0.00 C ATOM 0 H LEU A 40 1.582 -6.504 2.198 1.00 0.00 H new ATOM 0 HA LEU A 40 3.558 -5.135 3.770 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.968 -7.943 2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.585 -7.576 3.462 1.00 0.00 H new ATOM 0 HG LEU A 40 2.282 -6.698 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.166 -8.916 6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.650 -8.974 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.264 -9.565 4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.863 -7.279 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.023 -7.866 5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.581 -6.143 5.794 1.00 0.00 H new ATOM 655 N ARG A 41 4.132 -5.810 0.637 1.00 0.00 N ATOM 656 CA ARG A 41 5.068 -5.609 -0.461 1.00 0.00 C ATOM 657 C ARG A 41 5.399 -4.130 -0.621 1.00 0.00 C ATOM 658 O ARG A 41 6.528 -3.769 -0.955 1.00 0.00 O ATOM 659 CB ARG A 41 4.484 -6.159 -1.765 1.00 0.00 C ATOM 660 CG ARG A 41 4.104 -7.628 -1.689 1.00 0.00 C ATOM 661 CD ARG A 41 5.242 -8.523 -2.150 1.00 0.00 C ATOM 662 NE ARG A 41 4.921 -9.940 -1.999 1.00 0.00 N ATOM 663 CZ ARG A 41 5.632 -10.925 -2.544 1.00 0.00 C ATOM 664 NH1 ARG A 41 6.706 -10.650 -3.275 1.00 0.00 N ATOM 665 NH2 ARG A 41 5.271 -12.186 -2.356 1.00 0.00 N ATOM 0 H ARG A 41 3.199 -6.107 0.350 1.00 0.00 H new ATOM 0 HA ARG A 41 5.987 -6.148 -0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.602 -5.577 -2.032 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.211 -6.021 -2.566 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.832 -7.882 -0.664 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.224 -7.810 -2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.468 -8.312 -3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.140 -8.292 -1.577 1.00 0.00 H new ATOM 0 HE ARG A 41 4.103 -10.190 -1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.989 -9.681 -3.421 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.248 -11.408 -3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.448 -12.402 -1.794 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.816 -12.940 -2.774 1.00 0.00 H new ATOM 679 N VAL A 42 4.409 -3.275 -0.375 1.00 0.00 N ATOM 680 CA VAL A 42 4.601 -1.835 -0.487 1.00 0.00 C ATOM 681 C VAL A 42 5.533 -1.322 0.605 1.00 0.00 C ATOM 682 O VAL A 42 6.159 -0.274 0.456 1.00 0.00 O ATOM 683 CB VAL A 42 3.259 -1.081 -0.403 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.465 0.408 -0.633 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.265 -1.647 -1.405 1.00 0.00 C ATOM 0 H VAL A 42 3.468 -3.556 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 42 5.051 -1.648 -1.462 1.00 0.00 H new ATOM 0 HB VAL A 42 2.851 -1.218 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.506 0.922 -0.570 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.140 0.804 0.126 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.897 0.567 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.324 -1.102 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.666 -1.544 -2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.092 -2.701 -1.190 1.00 0.00 H new ATOM 695 N GLY A 43 5.628 -2.070 1.700 1.00 0.00 N ATOM 696 CA GLY A 43 6.494 -1.676 2.794 1.00 0.00 C ATOM 697 C GLY A 43 7.946 -2.007 2.516 1.00 0.00 C ATOM 698 O GLY A 43 8.842 -1.231 2.846 1.00 0.00 O ATOM 0 H GLY A 43 5.120 -2.942 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.393 -0.605 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.176 -2.179 3.707 1.00 0.00 H new ATOM 702 N GLN A 44 8.175 -3.161 1.898 1.00 0.00 N ATOM 703 CA GLN A 44 9.525 -3.592 1.564 1.00 0.00 C ATOM 704 C GLN A 44 10.120 -2.699 0.481 1.00 0.00 C ATOM 705 O GLN A 44 11.338 -2.535 0.395 1.00 0.00 O ATOM 706 CB GLN A 44 9.520 -5.049 1.097 1.00 0.00 C ATOM 707 CG GLN A 44 10.901 -5.584 0.756 1.00 0.00 C ATOM 708 CD GLN A 44 11.098 -7.018 1.207 1.00 0.00 C ATOM 709 OE1 GLN A 44 12.112 -7.355 1.819 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.126 -7.872 0.908 1.00 0.00 N ATOM 0 H GLN A 44 7.442 -3.814 1.619 1.00 0.00 H new ATOM 0 HA GLN A 44 10.141 -3.512 2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.082 -5.670 1.878 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.878 -5.139 0.220 1.00 0.00 H new ATOM 0 HG2 GLN A 44 11.055 -5.521 -0.321 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.657 -4.953 1.223 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.303 -7.550 0.399 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.203 -8.850 1.187 1.00 0.00 H new ATOM 719 N ILE A 45 9.253 -2.117 -0.342 1.00 0.00 N ATOM 720 CA ILE A 45 9.694 -1.235 -1.414 1.00 0.00 C ATOM 721 C ILE A 45 10.350 0.021 -0.845 1.00 0.00 C ATOM 722 O ILE A 45 11.170 0.657 -1.506 1.00 0.00 O ATOM 723 CB ILE A 45 8.515 -0.838 -2.328 1.00 0.00 C ATOM 724 CG1 ILE A 45 7.954 -2.075 -3.032 1.00 0.00 C ATOM 725 CG2 ILE A 45 8.947 0.205 -3.352 1.00 0.00 C ATOM 726 CD1 ILE A 45 6.506 -1.930 -3.446 1.00 0.00 C ATOM 0 H ILE A 45 8.242 -2.241 -0.286 1.00 0.00 H new ATOM 0 HA ILE A 45 10.427 -1.781 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 45 7.733 -0.400 -1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.557 -2.285 -3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.050 -2.935 -2.369 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.099 0.468 -3.984 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.305 1.096 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.747 -0.202 -3.970 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.175 -2.844 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.892 -1.751 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.407 -1.091 -4.134 1.00 0.00 H new ATOM 738 N LEU A 46 9.987 0.372 0.384 1.00 0.00 N ATOM 739 CA LEU A 46 10.547 1.547 1.036 1.00 0.00 C ATOM 740 C LEU A 46 11.897 1.220 1.663 1.00 0.00 C ATOM 741 O LEU A 46 12.842 2.003 1.577 1.00 0.00 O ATOM 742 CB LEU A 46 9.589 2.067 2.108 1.00 0.00 C ATOM 743 CG LEU A 46 8.451 2.946 1.590 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.990 4.279 1.094 1.00 0.00 C ATOM 745 CD2 LEU A 46 7.688 2.233 0.483 1.00 0.00 C ATOM 0 H LEU A 46 9.308 -0.141 0.947 1.00 0.00 H new ATOM 0 HA LEU A 46 10.689 2.321 0.281 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.158 1.214 2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.162 2.636 2.840 1.00 0.00 H new ATOM 0 HG LEU A 46 7.763 3.139 2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.166 4.892 0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.492 4.796 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.700 4.106 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.881 2.874 0.126 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.366 2.010 -0.341 1.00 0.00 H new ATOM 0 HD23 LEU A 46 7.269 1.304 0.870 1.00 0.00 H new ATOM 757 N LYS A 47 11.977 0.054 2.293 1.00 0.00 N ATOM 758 CA LYS A 47 13.210 -0.385 2.934 1.00 0.00 C ATOM 759 C LYS A 47 14.229 -0.860 1.898 1.00 0.00 C ATOM 760 O LYS A 47 15.429 -0.890 2.167 1.00 0.00 O ATOM 761 CB LYS A 47 12.918 -1.503 3.942 1.00 0.00 C ATOM 762 CG LYS A 47 12.638 -2.854 3.302 1.00 0.00 C ATOM 763 CD LYS A 47 12.069 -3.839 4.310 1.00 0.00 C ATOM 764 CE LYS A 47 12.468 -5.268 3.978 1.00 0.00 C ATOM 765 NZ LYS A 47 12.644 -6.095 5.204 1.00 0.00 N ATOM 0 H LYS A 47 11.202 -0.604 2.374 1.00 0.00 H new ATOM 0 HA LYS A 47 13.636 0.466 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.768 -1.601 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.060 -1.215 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.936 -2.729 2.477 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.559 -3.255 2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.423 -3.584 5.309 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.982 -3.758 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.706 -5.719 3.342 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.397 -5.262 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.916 -7.062 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.389 -5.679 5.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.751 -6.122 5.736 1.00 0.00 H new ATOM 779 N GLU A 48 13.744 -1.231 0.714 1.00 0.00 N ATOM 780 CA GLU A 48 14.619 -1.702 -0.352 1.00 0.00 C ATOM 781 C GLU A 48 15.683 -0.657 -0.689 1.00 0.00 C ATOM 782 O GLU A 48 15.398 0.540 -0.718 1.00 0.00 O ATOM 783 CB GLU A 48 13.801 -2.035 -1.602 1.00 0.00 C ATOM 784 CG GLU A 48 13.362 -3.489 -1.672 1.00 0.00 C ATOM 785 CD GLU A 48 14.143 -4.285 -2.699 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.243 -3.838 -3.087 1.00 0.00 O ATOM 787 OE2 GLU A 48 13.655 -5.357 -3.115 1.00 0.00 O ATOM 0 H GLU A 48 12.753 -1.214 0.472 1.00 0.00 H new ATOM 0 HA GLU A 48 15.121 -2.604 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.918 -1.396 -1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.393 -1.800 -2.487 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.484 -3.949 -0.691 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.300 -3.533 -1.915 1.00 0.00 H new ATOM 794 N PRO A 49 16.928 -1.096 -0.947 1.00 0.00 N ATOM 795 CA PRO A 49 18.030 -0.186 -1.280 1.00 0.00 C ATOM 796 C PRO A 49 17.873 0.430 -2.666 1.00 0.00 C ATOM 797 O PRO A 49 18.019 1.641 -2.837 1.00 0.00 O ATOM 798 CB PRO A 49 19.264 -1.089 -1.231 1.00 0.00 C ATOM 799 CG PRO A 49 18.746 -2.456 -1.516 1.00 0.00 C ATOM 800 CD PRO A 49 17.360 -2.507 -0.933 1.00 0.00 C ATOM 0 HA PRO A 49 18.080 0.662 -0.597 1.00 0.00 H new ATOM 0 HB2 PRO A 49 20.006 -0.785 -1.969 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.748 -1.045 -0.255 1.00 0.00 H new ATOM 0 HG2 PRO A 49 18.725 -2.649 -2.589 1.00 0.00 H new ATOM 0 HG3 PRO A 49 19.386 -3.216 -1.068 1.00 0.00 H new ATOM 0 HD2 PRO A 49 16.697 -3.136 -1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 49 17.364 -2.915 0.078 1.00 0.00 H new ATOM 808 N LYS A 50 17.572 -0.409 -3.652 1.00 0.00 N ATOM 809 CA LYS A 50 17.393 0.058 -5.022 1.00 0.00 C ATOM 810 C LYS A 50 16.231 1.041 -5.110 1.00 0.00 C ATOM 811 O LYS A 50 16.239 1.957 -5.930 1.00 0.00 O ATOM 812 CB LYS A 50 17.148 -1.127 -5.958 1.00 0.00 C ATOM 813 CG LYS A 50 18.424 -1.812 -6.420 1.00 0.00 C ATOM 814 CD LYS A 50 18.213 -3.304 -6.621 1.00 0.00 C ATOM 815 CE LYS A 50 19.534 -4.054 -6.650 1.00 0.00 C ATOM 816 NZ LYS A 50 20.055 -4.211 -8.036 1.00 0.00 N ATOM 0 H LYS A 50 17.447 -1.414 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 50 18.304 0.571 -5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.518 -1.857 -5.450 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.595 -0.781 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.762 -1.362 -7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.212 -1.651 -5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.589 -3.696 -5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.676 -3.474 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.267 -3.521 -6.045 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.403 -5.037 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.957 -4.728 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.367 -4.742 -8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.205 -3.273 -8.459 1.00 0.00 H new ATOM 830 N MET A 51 15.232 0.841 -4.255 1.00 0.00 N ATOM 831 CA MET A 51 14.061 1.708 -4.230 1.00 0.00 C ATOM 832 C MET A 51 14.344 2.984 -3.442 1.00 0.00 C ATOM 833 O MET A 51 13.736 4.024 -3.689 1.00 0.00 O ATOM 834 CB MET A 51 12.870 0.969 -3.618 1.00 0.00 C ATOM 835 CG MET A 51 12.481 -0.289 -4.375 1.00 0.00 C ATOM 836 SD MET A 51 12.026 0.042 -6.089 1.00 0.00 S ATOM 837 CE MET A 51 11.002 1.498 -5.893 1.00 0.00 C ATOM 0 H MET A 51 15.211 0.085 -3.570 1.00 0.00 H new ATOM 0 HA MET A 51 13.821 1.984 -5.257 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.108 0.704 -2.588 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.014 1.642 -3.584 1.00 0.00 H new ATOM 0 HG2 MET A 51 13.313 -0.993 -4.354 1.00 0.00 H new ATOM 0 HG3 MET A 51 11.644 -0.769 -3.868 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.175 1.459 -6.601 1.00 0.00 H new ATOM 0 HE2 MET A 51 10.609 1.532 -4.877 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.599 2.391 -6.081 1.00 0.00 H new ATOM 847 N ALA A 52 15.272 2.895 -2.492 1.00 0.00 N ATOM 848 CA ALA A 52 15.636 4.043 -1.670 1.00 0.00 C ATOM 849 C ALA A 52 16.070 5.224 -2.531 1.00 0.00 C ATOM 850 O ALA A 52 15.924 6.380 -2.136 1.00 0.00 O ATOM 851 CB ALA A 52 16.739 3.662 -0.694 1.00 0.00 C ATOM 0 H ALA A 52 15.784 2.040 -2.274 1.00 0.00 H new ATOM 0 HA ALA A 52 14.755 4.348 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 52 17.002 4.528 -0.086 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.390 2.857 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.616 3.328 -1.248 1.00 0.00 H new ATOM 857 N ALA A 53 16.604 4.925 -3.711 1.00 0.00 N ATOM 858 CA ALA A 53 17.058 5.963 -4.628 1.00 0.00 C ATOM 859 C ALA A 53 15.894 6.557 -5.422 1.00 0.00 C ATOM 860 O ALA A 53 16.087 7.464 -6.232 1.00 0.00 O ATOM 861 CB ALA A 53 18.111 5.405 -5.573 1.00 0.00 C ATOM 0 H ALA A 53 16.733 3.973 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 53 17.499 6.764 -4.035 1.00 0.00 H new ATOM 0 HB1 ALA A 53 18.442 6.190 -6.253 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.962 5.042 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 53 17.685 4.583 -6.148 1.00 0.00 H new ATOM 867 N SER A 54 14.687 6.044 -5.190 1.00 0.00 N ATOM 868 CA SER A 54 13.504 6.531 -5.890 1.00 0.00 C ATOM 869 C SER A 54 12.428 6.980 -4.905 1.00 0.00 C ATOM 870 O SER A 54 11.794 8.017 -5.095 1.00 0.00 O ATOM 871 CB SER A 54 12.947 5.445 -6.811 1.00 0.00 C ATOM 872 OG SER A 54 13.988 4.791 -7.516 1.00 0.00 O ATOM 0 H SER A 54 14.505 5.293 -4.524 1.00 0.00 H new ATOM 0 HA SER A 54 13.800 7.391 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.388 4.717 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 54 12.247 5.888 -7.519 1.00 0.00 H new ATOM 0 HG SER A 54 13.606 4.100 -8.097 1.00 0.00 H new ATOM 878 N LEU A 55 12.226 6.191 -3.853 1.00 0.00 N ATOM 879 CA LEU A 55 11.224 6.510 -2.842 1.00 0.00 C ATOM 880 C LEU A 55 11.510 7.863 -2.197 1.00 0.00 C ATOM 881 O LEU A 55 10.591 8.624 -1.893 1.00 0.00 O ATOM 882 CB LEU A 55 11.173 5.408 -1.774 1.00 0.00 C ATOM 883 CG LEU A 55 12.185 5.548 -0.632 1.00 0.00 C ATOM 884 CD1 LEU A 55 11.644 6.470 0.452 1.00 0.00 C ATOM 885 CD2 LEU A 55 12.524 4.183 -0.051 1.00 0.00 C ATOM 0 H LEU A 55 12.742 5.328 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 55 10.253 6.567 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.170 5.386 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.333 4.446 -2.262 1.00 0.00 H new ATOM 0 HG LEU A 55 13.098 5.989 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.376 6.557 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.451 7.456 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.717 6.058 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 55 13.244 4.301 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.618 3.716 0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.954 3.553 -0.830 1.00 0.00 H new ATOM 897 N LEU A 56 12.790 8.155 -1.991 1.00 0.00 N ATOM 898 CA LEU A 56 13.197 9.415 -1.380 1.00 0.00 C ATOM 899 C LEU A 56 13.871 10.327 -2.401 1.00 0.00 C ATOM 900 O LEU A 56 14.720 11.146 -2.050 1.00 0.00 O ATOM 901 CB LEU A 56 14.149 9.153 -0.210 1.00 0.00 C ATOM 902 CG LEU A 56 13.964 10.077 0.995 1.00 0.00 C ATOM 903 CD1 LEU A 56 14.012 11.535 0.563 1.00 0.00 C ATOM 904 CD2 LEU A 56 12.654 9.771 1.703 1.00 0.00 C ATOM 0 H LEU A 56 13.563 7.537 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 56 12.301 9.914 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.021 8.122 0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.174 9.248 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 56 14.782 9.901 1.694 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.879 12.177 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.976 11.746 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.215 11.728 -0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.538 10.437 2.558 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.824 9.919 1.012 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.659 8.737 2.047 1.00 0.00 H new ATOM 916 N ASN A 57 13.490 10.180 -3.667 1.00 0.00 N ATOM 917 CA ASN A 57 14.060 10.992 -4.732 1.00 0.00 C ATOM 918 C ASN A 57 13.004 11.909 -5.344 1.00 0.00 C ATOM 919 O ASN A 57 12.160 11.463 -6.119 1.00 0.00 O ATOM 920 CB ASN A 57 14.659 10.094 -5.816 1.00 0.00 C ATOM 921 CG ASN A 57 15.466 10.875 -6.834 1.00 0.00 C ATOM 922 OD1 ASN A 57 15.918 11.988 -6.563 1.00 0.00 O ATOM 923 ND2 ASN A 57 15.650 10.296 -8.014 1.00 0.00 N ATOM 0 H ASN A 57 12.790 9.506 -3.978 1.00 0.00 H new ATOM 0 HA ASN A 57 14.847 11.611 -4.302 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.297 9.343 -5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 57 13.857 9.560 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 57 16.184 10.775 -8.739 1.00 0.00 H new ATOM 0 HD22 ASN A 57 15.257 9.372 -8.196 1.00 0.00 H new ATOM 930 N PRO A 58 13.041 13.213 -5.009 1.00 0.00 N ATOM 931 CA PRO A 58 12.086 14.193 -5.539 1.00 0.00 C ATOM 932 C PRO A 58 12.252 14.415 -7.042 1.00 0.00 C ATOM 933 O PRO A 58 11.526 15.205 -7.646 1.00 0.00 O ATOM 934 CB PRO A 58 12.415 15.485 -4.771 1.00 0.00 C ATOM 935 CG PRO A 58 13.279 15.061 -3.631 1.00 0.00 C ATOM 936 CD PRO A 58 14.011 13.838 -4.100 1.00 0.00 C ATOM 0 HA PRO A 58 11.057 13.858 -5.409 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.932 16.201 -5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.507 15.972 -4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 58 13.977 15.852 -3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.680 14.842 -2.747 1.00 0.00 H new ATOM 0 HD2 PRO A 58 14.940 14.092 -4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 58 14.273 13.180 -3.272 1.00 0.00 H new ATOM 944 N TYR A 59 13.218 13.721 -7.637 1.00 0.00 N ATOM 945 CA TYR A 59 13.492 13.842 -9.061 1.00 0.00 C ATOM 946 C TYR A 59 12.548 12.972 -9.891 1.00 0.00 C ATOM 947 O TYR A 59 12.542 13.050 -11.119 1.00 0.00 O ATOM 948 CB TYR A 59 14.943 13.448 -9.334 1.00 0.00 C ATOM 949 CG TYR A 59 15.947 14.416 -8.746 1.00 0.00 C ATOM 950 CD1 TYR A 59 15.989 14.657 -7.377 1.00 0.00 C ATOM 951 CD2 TYR A 59 16.847 15.094 -9.558 1.00 0.00 C ATOM 952 CE1 TYR A 59 16.897 15.543 -6.835 1.00 0.00 C ATOM 953 CE2 TYR A 59 17.762 15.981 -9.023 1.00 0.00 C ATOM 954 CZ TYR A 59 17.782 16.202 -7.661 1.00 0.00 C ATOM 955 OH TYR A 59 18.690 17.087 -7.125 1.00 0.00 O ATOM 0 H TYR A 59 13.827 13.065 -7.148 1.00 0.00 H new ATOM 0 HA TYR A 59 13.328 14.879 -9.354 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.125 12.454 -8.926 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.098 13.384 -10.411 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.298 14.141 -6.726 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.832 14.925 -10.625 1.00 0.00 H new ATOM 0 HE1 TYR A 59 16.914 15.719 -5.770 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.457 16.498 -9.667 1.00 0.00 H new ATOM 0 HH TYR A 59 19.241 17.465 -7.842 1.00 0.00 H new ATOM 965 N VAL A 60 11.750 12.144 -9.218 1.00 0.00 N ATOM 966 CA VAL A 60 10.809 11.267 -9.907 1.00 0.00 C ATOM 967 C VAL A 60 9.424 11.901 -9.995 1.00 0.00 C ATOM 968 O VAL A 60 8.421 11.203 -10.147 1.00 0.00 O ATOM 969 CB VAL A 60 10.690 9.899 -9.205 1.00 0.00 C ATOM 970 CG1 VAL A 60 10.046 8.879 -10.132 1.00 0.00 C ATOM 971 CG2 VAL A 60 12.054 9.413 -8.737 1.00 0.00 C ATOM 0 H VAL A 60 11.737 12.063 -8.201 1.00 0.00 H new ATOM 0 HA VAL A 60 11.202 11.117 -10.913 1.00 0.00 H new ATOM 0 HB VAL A 60 10.053 10.018 -8.329 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.970 7.919 -9.620 1.00 0.00 H new ATOM 0 HG12 VAL A 60 9.050 9.221 -10.413 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.656 8.765 -11.028 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.947 8.446 -8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.718 9.311 -9.595 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.476 10.133 -8.035 1.00 0.00 H new ATOM 981 N LYS A 61 9.372 13.228 -9.899 1.00 0.00 N ATOM 982 CA LYS A 61 8.108 13.955 -9.972 1.00 0.00 C ATOM 983 C LYS A 61 7.087 13.381 -8.992 1.00 0.00 C ATOM 984 O LYS A 61 7.423 12.558 -8.141 1.00 0.00 O ATOM 985 CB LYS A 61 7.548 13.905 -11.396 1.00 0.00 C ATOM 986 CG LYS A 61 6.908 15.208 -11.843 1.00 0.00 C ATOM 987 CD LYS A 61 7.178 15.486 -13.312 1.00 0.00 C ATOM 988 CE LYS A 61 7.178 16.978 -13.606 1.00 0.00 C ATOM 989 NZ LYS A 61 5.796 17.528 -13.692 1.00 0.00 N ATOM 0 H LYS A 61 10.192 13.821 -9.770 1.00 0.00 H new ATOM 0 HA LYS A 61 8.301 14.992 -9.699 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.353 13.650 -12.085 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.809 13.106 -11.459 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.832 15.164 -11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.293 16.030 -11.239 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.140 15.059 -13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.420 14.994 -13.922 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.729 17.502 -12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.701 17.163 -14.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.840 18.547 -13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.277 17.046 -14.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.305 17.375 -12.788 1.00 0.00 H new ATOM 1003 N ARG A 62 5.840 13.823 -9.120 1.00 0.00 N ATOM 1004 CA ARG A 62 4.770 13.354 -8.249 1.00 0.00 C ATOM 1005 C ARG A 62 3.839 12.402 -8.994 1.00 0.00 C ATOM 1006 O ARG A 62 3.241 11.508 -8.396 1.00 0.00 O ATOM 1007 CB ARG A 62 3.973 14.540 -7.702 1.00 0.00 C ATOM 1008 CG ARG A 62 2.864 14.137 -6.743 1.00 0.00 C ATOM 1009 CD ARG A 62 3.407 13.345 -5.565 1.00 0.00 C ATOM 1010 NE ARG A 62 4.332 14.133 -4.754 1.00 0.00 N ATOM 1011 CZ ARG A 62 4.868 13.705 -3.613 1.00 0.00 C ATOM 1012 NH1 ARG A 62 4.572 12.499 -3.144 1.00 0.00 N ATOM 1013 NH2 ARG A 62 5.700 14.486 -2.939 1.00 0.00 N ATOM 0 H ARG A 62 5.546 14.505 -9.819 1.00 0.00 H new ATOM 0 HA ARG A 62 5.223 12.814 -7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.654 15.220 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.538 15.091 -8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.354 15.029 -6.379 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.122 13.540 -7.273 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.578 13.006 -4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 62 3.916 12.453 -5.932 1.00 0.00 H new ATOM 0 HE ARG A 62 4.582 15.066 -5.081 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.931 11.895 -3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.986 12.176 -2.269 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.929 15.414 -3.295 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.111 14.159 -2.065 1.00 0.00 H new ATOM 1027 N SER A 63 3.722 12.600 -10.303 1.00 0.00 N ATOM 1028 CA SER A 63 2.864 11.759 -11.130 1.00 0.00 C ATOM 1029 C SER A 63 3.685 10.784 -11.974 1.00 0.00 C ATOM 1030 O SER A 63 3.135 9.875 -12.595 1.00 0.00 O ATOM 1031 CB SER A 63 1.988 12.624 -12.038 1.00 0.00 C ATOM 1032 OG SER A 63 0.751 12.927 -11.417 1.00 0.00 O ATOM 0 H SER A 63 4.210 13.335 -10.814 1.00 0.00 H new ATOM 0 HA SER A 63 2.227 11.178 -10.463 1.00 0.00 H new ATOM 0 HB2 SER A 63 2.512 13.548 -12.281 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.808 12.103 -12.978 1.00 0.00 H new ATOM 0 HG SER A 63 0.211 13.482 -12.017 1.00 0.00 H new ATOM 1038 N VAL A 64 5.001 10.974 -11.994 1.00 0.00 N ATOM 1039 CA VAL A 64 5.882 10.102 -12.760 1.00 0.00 C ATOM 1040 C VAL A 64 6.238 8.856 -11.961 1.00 0.00 C ATOM 1041 O VAL A 64 6.328 7.757 -12.509 1.00 0.00 O ATOM 1042 CB VAL A 64 7.178 10.827 -13.169 1.00 0.00 C ATOM 1043 CG1 VAL A 64 7.995 9.966 -14.120 1.00 0.00 C ATOM 1044 CG2 VAL A 64 6.861 12.175 -13.799 1.00 0.00 C ATOM 0 H VAL A 64 5.478 11.721 -11.490 1.00 0.00 H new ATOM 0 HA VAL A 64 5.341 9.814 -13.662 1.00 0.00 H new ATOM 0 HB VAL A 64 7.772 11.002 -12.272 1.00 0.00 H new ATOM 0 HG11 VAL A 64 8.907 10.495 -14.398 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.255 9.028 -13.629 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.410 9.757 -15.015 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.789 12.672 -14.081 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.245 12.026 -14.686 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.322 12.794 -13.082 1.00 0.00 H new ATOM 1054 N LYS A 65 6.437 9.034 -10.659 1.00 0.00 N ATOM 1055 CA LYS A 65 6.780 7.925 -9.779 1.00 0.00 C ATOM 1056 C LYS A 65 5.631 6.926 -9.692 1.00 0.00 C ATOM 1057 O LYS A 65 5.850 5.724 -9.544 1.00 0.00 O ATOM 1058 CB LYS A 65 7.125 8.444 -8.381 1.00 0.00 C ATOM 1059 CG LYS A 65 7.512 7.346 -7.402 1.00 0.00 C ATOM 1060 CD LYS A 65 9.003 7.360 -7.104 1.00 0.00 C ATOM 1061 CE LYS A 65 9.557 5.951 -6.968 1.00 0.00 C ATOM 1062 NZ LYS A 65 9.685 5.276 -8.289 1.00 0.00 N ATOM 0 H LYS A 65 6.366 9.937 -10.190 1.00 0.00 H new ATOM 0 HA LYS A 65 7.650 7.418 -10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.947 9.156 -8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.269 8.989 -7.983 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.954 7.472 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.232 6.376 -7.813 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.530 7.884 -7.902 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.186 7.914 -6.184 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.533 5.990 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.904 5.364 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.204 4.382 -8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.738 5.079 -8.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.202 5.894 -8.946 1.00 0.00 H new ATOM 1076 N VAL A 66 4.402 7.430 -9.784 1.00 0.00 N ATOM 1077 CA VAL A 66 3.222 6.577 -9.715 1.00 0.00 C ATOM 1078 C VAL A 66 3.156 5.627 -10.909 1.00 0.00 C ATOM 1079 O VAL A 66 2.589 4.539 -10.815 1.00 0.00 O ATOM 1080 CB VAL A 66 1.925 7.410 -9.655 1.00 0.00 C ATOM 1081 CG1 VAL A 66 1.737 8.218 -10.932 1.00 0.00 C ATOM 1082 CG2 VAL A 66 0.725 6.509 -9.402 1.00 0.00 C ATOM 0 H VAL A 66 4.200 8.422 -9.906 1.00 0.00 H new ATOM 0 HA VAL A 66 3.308 5.993 -8.798 1.00 0.00 H new ATOM 0 HB VAL A 66 2.008 8.112 -8.825 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.816 8.796 -10.864 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.582 8.895 -11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.679 7.542 -11.785 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.182 7.113 -9.363 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.641 5.780 -10.208 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.855 5.988 -8.454 1.00 0.00 H new ATOM 1092 N LYS A 67 3.741 6.045 -12.027 1.00 0.00 N ATOM 1093 CA LYS A 67 3.747 5.228 -13.235 1.00 0.00 C ATOM 1094 C LYS A 67 4.640 4.004 -13.058 1.00 0.00 C ATOM 1095 O LYS A 67 4.264 2.890 -13.419 1.00 0.00 O ATOM 1096 CB LYS A 67 4.223 6.052 -14.432 1.00 0.00 C ATOM 1097 CG LYS A 67 3.098 6.764 -15.167 1.00 0.00 C ATOM 1098 CD LYS A 67 2.624 5.964 -16.369 1.00 0.00 C ATOM 1099 CE LYS A 67 1.116 6.056 -16.540 1.00 0.00 C ATOM 1100 NZ LYS A 67 0.546 4.813 -17.129 1.00 0.00 N ATOM 0 H LYS A 67 4.216 6.943 -12.121 1.00 0.00 H new ATOM 0 HA LYS A 67 2.728 4.889 -13.420 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.947 6.791 -14.089 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.744 5.396 -15.130 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.263 6.928 -14.486 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.440 7.746 -15.494 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.116 6.332 -17.269 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.915 4.920 -16.250 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.652 6.245 -15.572 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.875 6.905 -17.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.484 4.917 -17.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.970 4.646 -18.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.754 4.007 -16.506 1.00 0.00 H new ATOM 1114 N SER A 68 5.826 4.221 -12.498 1.00 0.00 N ATOM 1115 CA SER A 68 6.774 3.136 -12.270 1.00 0.00 C ATOM 1116 C SER A 68 6.229 2.144 -11.247 1.00 0.00 C ATOM 1117 O SER A 68 6.546 0.956 -11.291 1.00 0.00 O ATOM 1118 CB SER A 68 8.115 3.696 -11.793 1.00 0.00 C ATOM 1119 OG SER A 68 8.096 3.950 -10.398 1.00 0.00 O ATOM 0 H SER A 68 6.153 5.138 -12.194 1.00 0.00 H new ATOM 0 HA SER A 68 6.923 2.611 -13.214 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.911 2.989 -12.026 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.339 4.617 -12.330 1.00 0.00 H new ATOM 0 HG SER A 68 7.341 4.536 -10.182 1.00 0.00 H new ATOM 1125 N LEU A 69 5.409 2.641 -10.327 1.00 0.00 N ATOM 1126 CA LEU A 69 4.820 1.801 -9.292 1.00 0.00 C ATOM 1127 C LEU A 69 3.797 0.838 -9.887 1.00 0.00 C ATOM 1128 O LEU A 69 3.642 -0.288 -9.416 1.00 0.00 O ATOM 1129 CB LEU A 69 4.156 2.668 -8.219 1.00 0.00 C ATOM 1130 CG LEU A 69 5.066 3.067 -7.053 1.00 0.00 C ATOM 1131 CD1 LEU A 69 5.042 4.573 -6.842 1.00 0.00 C ATOM 1132 CD2 LEU A 69 4.651 2.343 -5.780 1.00 0.00 C ATOM 0 H LEU A 69 5.137 3.623 -10.278 1.00 0.00 H new ATOM 0 HA LEU A 69 5.619 1.217 -8.836 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.776 3.575 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.295 2.131 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 69 6.086 2.773 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.695 4.834 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.390 5.073 -7.746 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.024 4.893 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.308 2.639 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.623 2.605 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.724 1.266 -5.933 1.00 0.00 H new ATOM 1144 N SER A 70 3.098 1.293 -10.922 1.00 0.00 N ATOM 1145 CA SER A 70 2.085 0.478 -11.580 1.00 0.00 C ATOM 1146 C SER A 70 2.718 -0.559 -12.500 1.00 0.00 C ATOM 1147 O SER A 70 2.130 -1.607 -12.763 1.00 0.00 O ATOM 1148 CB SER A 70 1.122 1.363 -12.373 1.00 0.00 C ATOM 1149 OG SER A 70 0.046 1.804 -11.562 1.00 0.00 O ATOM 0 H SER A 70 3.215 2.223 -11.323 1.00 0.00 H new ATOM 0 HA SER A 70 1.529 -0.050 -10.805 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.659 2.225 -12.770 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.734 0.808 -13.227 1.00 0.00 H new ATOM 0 HG SER A 70 -0.553 2.369 -12.093 1.00 0.00 H new ATOM 1155 N ASP A 71 3.920 -0.271 -12.981 1.00 0.00 N ATOM 1156 CA ASP A 71 4.623 -1.197 -13.859 1.00 0.00 C ATOM 1157 C ASP A 71 5.460 -2.157 -13.033 1.00 0.00 C ATOM 1158 O ASP A 71 5.557 -3.344 -13.346 1.00 0.00 O ATOM 1159 CB ASP A 71 5.507 -0.437 -14.850 1.00 0.00 C ATOM 1160 CG ASP A 71 4.758 -0.044 -16.109 1.00 0.00 C ATOM 1161 OD1 ASP A 71 3.613 0.440 -15.991 1.00 0.00 O ATOM 1162 OD2 ASP A 71 5.316 -0.219 -17.212 1.00 0.00 O ATOM 0 H ASP A 71 4.426 0.591 -12.780 1.00 0.00 H new ATOM 0 HA ASP A 71 3.887 -1.766 -14.427 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.900 0.459 -14.369 1.00 0.00 H new ATOM 0 HB3 ASP A 71 6.363 -1.056 -15.118 1.00 0.00 H new ATOM 1167 N MET A 72 6.044 -1.642 -11.959 1.00 0.00 N ATOM 1168 CA MET A 72 6.849 -2.462 -11.072 1.00 0.00 C ATOM 1169 C MET A 72 5.948 -3.384 -10.267 1.00 0.00 C ATOM 1170 O MET A 72 6.368 -4.461 -9.845 1.00 0.00 O ATOM 1171 CB MET A 72 7.694 -1.586 -10.141 1.00 0.00 C ATOM 1172 CG MET A 72 6.939 -1.076 -8.923 1.00 0.00 C ATOM 1173 SD MET A 72 7.882 0.127 -7.968 1.00 0.00 S ATOM 1174 CE MET A 72 6.774 0.397 -6.588 1.00 0.00 C ATOM 0 H MET A 72 5.974 -0.662 -11.684 1.00 0.00 H new ATOM 0 HA MET A 72 7.529 -3.067 -11.672 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.560 -2.158 -9.807 1.00 0.00 H new ATOM 0 HB3 MET A 72 8.073 -0.734 -10.705 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.002 -0.622 -9.246 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.681 -1.919 -8.282 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.997 1.358 -6.125 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.743 0.396 -6.943 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.906 -0.398 -5.854 1.00 0.00 H new ATOM 1184 N THR A 73 4.697 -2.966 -10.067 1.00 0.00 N ATOM 1185 CA THR A 73 3.757 -3.784 -9.325 1.00 0.00 C ATOM 1186 C THR A 73 3.554 -5.109 -10.032 1.00 0.00 C ATOM 1187 O THR A 73 3.334 -6.137 -9.391 1.00 0.00 O ATOM 1188 CB THR A 73 2.415 -3.086 -9.151 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.595 -3.852 -8.303 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.650 -2.893 -10.435 1.00 0.00 C ATOM 0 H THR A 73 4.323 -2.080 -10.405 1.00 0.00 H new ATOM 0 HA THR A 73 4.178 -3.954 -8.334 1.00 0.00 H new ATOM 0 HB THR A 73 2.650 -2.103 -8.743 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.089 -4.078 -7.487 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.707 -2.389 -10.224 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.240 -2.286 -11.122 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.450 -3.864 -10.889 1.00 0.00 H new ATOM 1198 N ALA A 74 3.648 -5.089 -11.360 1.00 0.00 N ATOM 1199 CA ALA A 74 3.493 -6.306 -12.138 1.00 0.00 C ATOM 1200 C ALA A 74 4.387 -7.402 -11.572 1.00 0.00 C ATOM 1201 O ALA A 74 4.090 -8.591 -11.699 1.00 0.00 O ATOM 1202 CB ALA A 74 3.817 -6.050 -13.603 1.00 0.00 C ATOM 0 H ALA A 74 3.829 -4.250 -11.911 1.00 0.00 H new ATOM 0 HA ALA A 74 2.455 -6.634 -12.075 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.695 -6.973 -14.169 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.142 -5.291 -13.998 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.846 -5.703 -13.693 1.00 0.00 H new ATOM 1208 N LYS A 75 5.485 -6.990 -10.937 1.00 0.00 N ATOM 1209 CA LYS A 75 6.418 -7.935 -10.342 1.00 0.00 C ATOM 1210 C LYS A 75 6.260 -7.995 -8.824 1.00 0.00 C ATOM 1211 O LYS A 75 6.709 -8.951 -8.189 1.00 0.00 O ATOM 1212 CB LYS A 75 7.857 -7.565 -10.706 1.00 0.00 C ATOM 1213 CG LYS A 75 8.339 -8.197 -12.001 1.00 0.00 C ATOM 1214 CD LYS A 75 7.635 -7.597 -13.208 1.00 0.00 C ATOM 1215 CE LYS A 75 8.204 -6.232 -13.563 1.00 0.00 C ATOM 1216 NZ LYS A 75 8.182 -5.987 -15.031 1.00 0.00 N ATOM 0 H LYS A 75 5.746 -6.010 -10.824 1.00 0.00 H new ATOM 0 HA LYS A 75 6.191 -8.922 -10.744 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.934 -6.481 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.518 -7.870 -9.895 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.415 -8.055 -12.098 1.00 0.00 H new ATOM 0 HG3 LYS A 75 8.161 -9.272 -11.971 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.737 -8.268 -14.061 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.569 -7.505 -13.000 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.630 -5.456 -13.057 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.229 -6.159 -13.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.578 -5.047 -15.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.751 -6.712 -15.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.202 -6.031 -15.376 1.00 0.00 H new ATOM 1230 N GLU A 76 5.621 -6.984 -8.238 1.00 0.00 N ATOM 1231 CA GLU A 76 5.419 -6.958 -6.797 1.00 0.00 C ATOM 1232 C GLU A 76 4.313 -7.926 -6.394 1.00 0.00 C ATOM 1233 O GLU A 76 4.564 -8.906 -5.694 1.00 0.00 O ATOM 1234 CB GLU A 76 5.078 -5.542 -6.331 1.00 0.00 C ATOM 1235 CG GLU A 76 5.750 -5.158 -5.023 1.00 0.00 C ATOM 1236 CD GLU A 76 7.105 -4.509 -5.233 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.307 -3.888 -6.298 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.963 -4.621 -4.332 1.00 0.00 O ATOM 0 H GLU A 76 5.239 -6.180 -8.736 1.00 0.00 H new ATOM 0 HA GLU A 76 6.346 -7.270 -6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.373 -4.832 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.998 -5.456 -6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.104 -4.473 -4.474 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.869 -6.048 -4.405 1.00 0.00 H new ATOM 1245 N LYS A 77 3.092 -7.643 -6.854 1.00 0.00 N ATOM 1246 CA LYS A 77 1.920 -8.479 -6.560 1.00 0.00 C ATOM 1247 C LYS A 77 0.625 -7.700 -6.787 1.00 0.00 C ATOM 1248 O LYS A 77 -0.385 -8.266 -7.203 1.00 0.00 O ATOM 1249 CB LYS A 77 1.945 -9.001 -5.114 1.00 0.00 C ATOM 1250 CG LYS A 77 1.914 -10.518 -5.010 1.00 0.00 C ATOM 1251 CD LYS A 77 3.076 -11.158 -5.755 1.00 0.00 C ATOM 1252 CE LYS A 77 2.718 -12.547 -6.255 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.096 -13.380 -5.188 1.00 0.00 N ATOM 0 H LYS A 77 2.886 -6.833 -7.438 1.00 0.00 H new ATOM 0 HA LYS A 77 1.959 -9.329 -7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.842 -8.630 -4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.091 -8.591 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.949 -10.811 -3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.973 -10.891 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.360 -10.528 -6.598 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.943 -11.219 -5.097 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.031 -12.463 -7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.616 -13.042 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.084 -14.376 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.647 -13.289 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.122 -13.058 -5.020 1.00 0.00 H new ATOM 1267 N PHE A 78 0.661 -6.402 -6.492 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.510 -5.542 -6.641 1.00 0.00 C ATOM 1269 C PHE A 78 -1.137 -5.663 -8.008 1.00 0.00 C ATOM 1270 O PHE A 78 -0.709 -6.460 -8.843 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.153 -4.075 -6.416 1.00 0.00 C ATOM 1272 CG PHE A 78 0.941 -3.872 -5.427 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.867 -4.452 -4.179 1.00 0.00 C ATOM 1274 CD2 PHE A 78 2.048 -3.116 -5.758 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.890 -4.279 -3.267 1.00 0.00 C ATOM 1276 CE2 PHE A 78 3.072 -2.939 -4.857 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.996 -3.522 -3.608 1.00 0.00 C ATOM 0 H PHE A 78 1.492 -5.922 -6.147 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.222 -5.877 -5.887 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.142 -3.632 -7.367 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.041 -3.542 -6.077 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.005 -5.045 -3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.110 -2.659 -6.735 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.826 -4.734 -2.290 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.933 -2.345 -5.126 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.799 -3.387 -2.898 1.00 0.00 H new ATOM 1287 N SER A 79 -2.143 -4.821 -8.216 1.00 0.00 N ATOM 1288 CA SER A 79 -2.874 -4.741 -9.472 1.00 0.00 C ATOM 1289 C SER A 79 -4.376 -4.620 -9.238 1.00 0.00 C ATOM 1290 O SER A 79 -5.054 -3.867 -9.935 1.00 0.00 O ATOM 1291 CB SER A 79 -2.598 -5.945 -10.381 1.00 0.00 C ATOM 1292 OG SER A 79 -3.526 -6.001 -11.451 1.00 0.00 O ATOM 0 H SER A 79 -2.477 -4.167 -7.508 1.00 0.00 H new ATOM 0 HA SER A 79 -2.516 -3.842 -9.973 1.00 0.00 H new ATOM 0 HB2 SER A 79 -1.585 -5.880 -10.778 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.654 -6.865 -9.799 1.00 0.00 H new ATOM 0 HG SER A 79 -3.327 -6.776 -12.016 1.00 0.00 H new ATOM 1298 N PRO A 80 -4.939 -5.396 -8.297 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.361 -5.389 -8.038 1.00 0.00 C ATOM 1300 C PRO A 80 -6.796 -4.571 -6.829 1.00 0.00 C ATOM 1301 O PRO A 80 -7.428 -3.526 -6.987 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.638 -6.873 -7.818 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.353 -7.441 -7.274 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.273 -6.393 -7.462 1.00 0.00 C ATOM 0 HA PRO A 80 -6.914 -4.917 -8.850 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.460 -7.020 -7.118 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.921 -7.363 -8.750 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.462 -7.694 -6.219 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.089 -8.361 -7.796 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.946 -5.972 -6.511 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.389 -6.805 -7.949 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.478 -5.032 -5.625 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.875 -4.302 -4.433 1.00 0.00 C ATOM 1314 C LEU A 81 -5.743 -3.416 -3.968 1.00 0.00 C ATOM 1315 O LEU A 81 -5.804 -2.803 -2.903 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.285 -5.259 -3.323 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.747 -5.709 -3.365 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.680 -4.520 -3.168 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.050 -6.411 -4.680 1.00 0.00 C ATOM 0 H LEU A 81 -5.956 -5.891 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.735 -3.680 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.647 -6.142 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.095 -4.780 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.913 -6.414 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.715 -4.860 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.481 -4.057 -2.201 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.512 -3.791 -3.961 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.094 -6.724 -4.693 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.866 -5.727 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.407 -7.285 -4.782 1.00 0.00 H new ATOM 1331 N THR A 82 -4.707 -3.361 -4.784 1.00 0.00 N ATOM 1332 CA THR A 82 -3.546 -2.566 -4.485 1.00 0.00 C ATOM 1333 C THR A 82 -3.200 -1.649 -5.651 1.00 0.00 C ATOM 1334 O THR A 82 -2.246 -0.878 -5.574 1.00 0.00 O ATOM 1335 CB THR A 82 -2.381 -3.477 -4.149 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.800 -4.831 -4.106 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.737 -3.145 -2.820 1.00 0.00 C ATOM 0 H THR A 82 -4.653 -3.867 -5.668 1.00 0.00 H new ATOM 0 HA THR A 82 -3.762 -1.934 -3.623 1.00 0.00 H new ATOM 0 HB THR A 82 -1.647 -3.322 -4.939 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.369 -4.972 -3.321 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.910 -3.831 -2.635 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.362 -2.122 -2.843 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.475 -3.243 -2.024 1.00 0.00 H new ATOM 1345 N SER A 83 -3.991 -1.707 -6.727 1.00 0.00 N ATOM 1346 CA SER A 83 -3.747 -0.845 -7.872 1.00 0.00 C ATOM 1347 C SER A 83 -4.489 0.475 -7.698 1.00 0.00 C ATOM 1348 O SER A 83 -4.893 1.121 -8.664 1.00 0.00 O ATOM 1349 CB SER A 83 -4.174 -1.515 -9.173 1.00 0.00 C ATOM 1350 OG SER A 83 -4.125 -0.604 -10.258 1.00 0.00 O ATOM 0 H SER A 83 -4.791 -2.333 -6.823 1.00 0.00 H new ATOM 0 HA SER A 83 -2.675 -0.654 -7.927 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.523 -2.365 -9.378 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.186 -1.907 -9.069 1.00 0.00 H new ATOM 0 HG SER A 83 -4.590 0.223 -10.012 1.00 0.00 H new ATOM 1356 N ASN A 84 -4.640 0.858 -6.444 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.301 2.090 -6.056 1.00 0.00 C ATOM 1358 C ASN A 84 -4.589 2.599 -4.825 1.00 0.00 C ATOM 1359 O ASN A 84 -4.221 3.771 -4.731 1.00 0.00 O ATOM 1360 CB ASN A 84 -6.784 1.849 -5.762 1.00 0.00 C ATOM 1361 CG ASN A 84 -7.670 2.181 -6.946 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.501 3.215 -7.592 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -8.623 1.303 -7.237 1.00 0.00 N ATOM 0 H ASN A 84 -4.301 0.312 -5.652 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.255 2.821 -6.863 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.931 0.806 -5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.085 2.453 -4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.250 1.473 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -8.727 0.459 -6.675 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.340 1.670 -3.909 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.603 1.968 -2.705 1.00 0.00 C ATOM 1372 C LEU A 85 -2.166 2.300 -3.093 1.00 0.00 C ATOM 1373 O LEU A 85 -1.443 2.952 -2.340 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.637 0.770 -1.746 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.654 0.845 -0.573 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.313 0.362 0.710 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -1.406 0.028 -0.872 1.00 0.00 C ATOM 0 H LEU A 85 -4.644 0.699 -3.986 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.055 2.817 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.647 0.673 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.430 -0.136 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.361 1.886 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.599 0.423 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.177 0.988 0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.636 -0.672 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.718 0.092 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.683 -1.013 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.921 0.419 -1.766 1.00 0.00 H new ATOM 1389 N ILE A 86 -1.757 1.849 -4.291 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.414 2.113 -4.774 1.00 0.00 C ATOM 1391 C ILE A 86 -0.254 3.591 -5.122 1.00 0.00 C ATOM 1392 O ILE A 86 0.648 4.263 -4.624 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.064 1.224 -6.000 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.918 0.125 -5.590 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.514 2.043 -7.149 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.311 -0.922 -4.685 1.00 0.00 C ATOM 0 H ILE A 86 -2.339 1.306 -4.929 1.00 0.00 H new ATOM 0 HA ILE A 86 0.282 1.862 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.990 0.770 -6.353 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.302 -0.361 -6.487 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.770 0.580 -5.085 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.745 1.384 -7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.214 2.790 -7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 86 1.425 2.542 -6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.065 -1.669 -4.435 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.048 -0.449 -3.771 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.523 -1.405 -5.195 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.143 4.089 -5.975 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.106 5.487 -6.382 1.00 0.00 C ATOM 1410 C ASN A 87 -1.421 6.392 -5.197 1.00 0.00 C ATOM 1411 O ASN A 87 -0.871 7.485 -5.071 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.103 5.740 -7.514 1.00 0.00 C ATOM 1413 CG ASN A 87 -1.966 4.735 -8.641 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -0.860 4.310 -8.977 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -3.091 4.351 -9.231 1.00 0.00 N ATOM 0 H ASN A 87 -1.896 3.546 -6.397 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.103 5.715 -6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.117 5.700 -7.117 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -1.954 6.746 -7.908 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.061 3.677 -9.996 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.985 4.730 -8.919 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.308 5.921 -4.326 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.699 6.679 -3.145 1.00 0.00 C ATOM 1424 C LEU A 88 -1.535 6.791 -2.168 1.00 0.00 C ATOM 1425 O LEU A 88 -1.403 7.788 -1.459 1.00 0.00 O ATOM 1426 CB LEU A 88 -3.897 6.017 -2.461 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.905 6.985 -1.839 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.319 6.446 -1.981 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -4.570 7.235 -0.377 1.00 0.00 C ATOM 0 H LEU A 88 -2.770 5.016 -4.417 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.983 7.682 -3.462 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.416 5.397 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.528 5.350 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.846 7.934 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.023 7.148 -1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.556 6.320 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.394 5.484 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.297 7.926 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.601 6.292 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.572 7.666 -0.301 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.689 5.765 -2.138 1.00 0.00 N ATOM 1442 CA LEU A 89 0.463 5.761 -1.248 1.00 0.00 C ATOM 1443 C LEU A 89 1.586 6.622 -1.816 1.00 0.00 C ATOM 1444 O LEU A 89 2.393 7.179 -1.072 1.00 0.00 O ATOM 1445 CB LEU A 89 0.955 4.331 -1.019 1.00 0.00 C ATOM 1446 CG LEU A 89 0.506 3.703 0.300 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.735 2.199 0.282 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.240 4.344 1.467 1.00 0.00 C ATOM 0 H LEU A 89 -0.780 4.931 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 89 0.157 6.183 -0.291 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.606 3.706 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.044 4.326 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.562 3.883 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.409 1.770 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.164 1.754 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.796 1.994 0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.910 3.887 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.313 4.193 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.024 5.412 1.490 1.00 0.00 H new ATOM 1460 N ALA A 90 1.627 6.731 -3.141 1.00 0.00 N ATOM 1461 CA ALA A 90 2.648 7.530 -3.809 1.00 0.00 C ATOM 1462 C ALA A 90 2.094 8.881 -4.260 1.00 0.00 C ATOM 1463 O ALA A 90 2.750 9.611 -5.001 1.00 0.00 O ATOM 1464 CB ALA A 90 3.215 6.768 -4.998 1.00 0.00 C ATOM 0 H ALA A 90 0.966 6.277 -3.772 1.00 0.00 H new ATOM 0 HA ALA A 90 3.447 7.721 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.976 7.374 -5.489 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.661 5.835 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.415 6.548 -5.705 1.00 0.00 H new ATOM 1470 N GLU A 91 0.885 9.210 -3.808 1.00 0.00 N ATOM 1471 CA GLU A 91 0.256 10.476 -4.171 1.00 0.00 C ATOM 1472 C GLU A 91 0.237 11.431 -2.982 1.00 0.00 C ATOM 1473 O GLU A 91 0.917 12.457 -2.985 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.170 10.238 -4.675 1.00 0.00 C ATOM 1475 CG GLU A 91 -1.919 11.517 -5.016 1.00 0.00 C ATOM 1476 CD GLU A 91 -2.554 12.163 -3.799 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -3.545 11.608 -3.282 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -2.058 13.223 -3.364 1.00 0.00 O ATOM 0 H GLU A 91 0.325 8.620 -3.193 1.00 0.00 H new ATOM 0 HA GLU A 91 0.842 10.929 -4.970 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.132 9.603 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.728 9.692 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.231 12.224 -5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.693 11.296 -5.751 1.00 0.00 H new ATOM 1485 N ASN A 92 -0.545 11.085 -1.964 1.00 0.00 N ATOM 1486 CA ASN A 92 -0.651 11.910 -0.767 1.00 0.00 C ATOM 1487 C ASN A 92 0.709 12.071 -0.094 1.00 0.00 C ATOM 1488 O ASN A 92 0.964 13.067 0.583 1.00 0.00 O ATOM 1489 CB ASN A 92 -1.650 11.295 0.214 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.112 12.287 1.265 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.472 12.450 2.304 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.229 12.953 1.000 1.00 0.00 N ATOM 0 H ASN A 92 -1.114 10.239 -1.945 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.006 12.896 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.514 10.924 -0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.192 10.436 0.705 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.589 13.632 1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -3.727 12.786 0.126 1.00 0.00 H new ATOM 1499 N GLY A 93 1.578 11.082 -0.283 1.00 0.00 N ATOM 1500 CA GLY A 93 2.900 11.134 0.313 1.00 0.00 C ATOM 1501 C GLY A 93 3.010 10.267 1.551 1.00 0.00 C ATOM 1502 O GLY A 93 3.552 10.695 2.571 1.00 0.00 O ATOM 0 H GLY A 93 1.390 10.247 -0.838 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.639 10.811 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.138 12.165 0.573 1.00 0.00 H new ATOM 1506 N ARG A 94 2.494 9.046 1.464 1.00 0.00 N ATOM 1507 CA ARG A 94 2.534 8.117 2.587 1.00 0.00 C ATOM 1508 C ARG A 94 3.557 7.010 2.348 1.00 0.00 C ATOM 1509 O ARG A 94 3.447 5.920 2.909 1.00 0.00 O ATOM 1510 CB ARG A 94 1.151 7.506 2.820 1.00 0.00 C ATOM 1511 CG ARG A 94 0.260 8.346 3.722 1.00 0.00 C ATOM 1512 CD ARG A 94 0.162 7.754 5.119 1.00 0.00 C ATOM 1513 NE ARG A 94 0.109 8.788 6.149 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.178 9.436 6.607 1.00 0.00 C ATOM 1515 NH1 ARG A 94 2.385 9.159 6.130 1.00 0.00 N ATOM 1516 NH2 ARG A 94 1.039 10.363 7.545 1.00 0.00 N ATOM 0 H ARG A 94 2.043 8.676 0.627 1.00 0.00 H new ATOM 0 HA ARG A 94 2.833 8.675 3.474 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.656 7.370 1.858 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.270 6.516 3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.655 9.360 3.783 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -0.736 8.418 3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.729 7.129 5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.020 7.106 5.299 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.802 9.028 6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.497 8.447 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.201 9.659 6.485 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.113 10.579 7.915 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.858 10.860 7.896 1.00 0.00 H new ATOM 1530 N LEU A 95 4.556 7.295 1.516 1.00 0.00 N ATOM 1531 CA LEU A 95 5.597 6.320 1.215 1.00 0.00 C ATOM 1532 C LEU A 95 6.824 6.557 2.085 1.00 0.00 C ATOM 1533 O LEU A 95 7.933 6.758 1.586 1.00 0.00 O ATOM 1534 CB LEU A 95 5.974 6.380 -0.268 1.00 0.00 C ATOM 1535 CG LEU A 95 5.115 5.513 -1.191 1.00 0.00 C ATOM 1536 CD1 LEU A 95 5.392 5.847 -2.648 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.370 4.036 -0.923 1.00 0.00 C ATOM 0 H LEU A 95 4.665 8.191 1.040 1.00 0.00 H new ATOM 0 HA LEU A 95 5.208 5.326 1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.908 7.415 -0.602 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.015 6.076 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 95 4.066 5.725 -0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.772 5.220 -3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.159 6.896 -2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.444 5.664 -2.870 1.00 0.00 H new ATOM 0 HD21 LEU A 95 4.751 3.433 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.421 3.810 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.120 3.806 0.113 1.00 0.00 H new ATOM 1549 N THR A 96 6.609 6.522 3.391 1.00 0.00 N ATOM 1550 CA THR A 96 7.678 6.720 4.362 1.00 0.00 C ATOM 1551 C THR A 96 7.445 5.825 5.570 1.00 0.00 C ATOM 1552 O THR A 96 8.365 5.178 6.072 1.00 0.00 O ATOM 1553 CB THR A 96 7.746 8.185 4.794 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.529 8.587 5.399 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.023 9.133 3.647 1.00 0.00 C ATOM 0 H THR A 96 5.693 6.356 3.808 1.00 0.00 H new ATOM 0 HA THR A 96 8.629 6.456 3.899 1.00 0.00 H new ATOM 0 HB THR A 96 8.575 8.241 5.500 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.545 8.356 6.351 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.059 10.156 4.021 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.979 8.881 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.231 9.046 2.904 1.00 0.00 H new ATOM 1563 N ASN A 97 6.194 5.779 6.016 1.00 0.00 N ATOM 1564 CA ASN A 97 5.808 4.950 7.147 1.00 0.00 C ATOM 1565 C ASN A 97 4.823 3.871 6.699 1.00 0.00 C ATOM 1566 O ASN A 97 4.127 3.273 7.519 1.00 0.00 O ATOM 1567 CB ASN A 97 5.181 5.807 8.247 1.00 0.00 C ATOM 1568 CG ASN A 97 6.194 6.707 8.928 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.385 7.902 8.380 1.00 0.00 O flip ATOM 1570 ND2 ASN A 97 6.796 6.335 9.934 1.00 0.00 N flip ATOM 0 H ASN A 97 5.426 6.311 5.606 1.00 0.00 H new ATOM 0 HA ASN A 97 6.702 4.469 7.545 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.386 6.418 7.819 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.719 5.158 8.990 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.618 5.408 10.321 1.00 0.00 H new ATOM 0 HD22 ASN A 97 7.473 6.953 10.381 1.00 0.00 H new ATOM 1577 N THR A 98 4.772 3.632 5.384 1.00 0.00 N ATOM 1578 CA THR A 98 3.877 2.633 4.807 1.00 0.00 C ATOM 1579 C THR A 98 3.832 1.353 5.642 1.00 0.00 C ATOM 1580 O THR A 98 2.760 0.927 6.073 1.00 0.00 O ATOM 1581 CB THR A 98 4.311 2.307 3.377 1.00 0.00 C ATOM 1582 OG1 THR A 98 5.086 3.360 2.835 1.00 0.00 O ATOM 1583 CG2 THR A 98 3.146 2.065 2.442 1.00 0.00 C ATOM 0 H THR A 98 5.346 4.123 4.698 1.00 0.00 H new ATOM 0 HA THR A 98 2.873 3.057 4.800 1.00 0.00 H new ATOM 0 HB THR A 98 4.894 1.389 3.453 1.00 0.00 H new ATOM 0 HG1 THR A 98 4.620 4.212 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.521 1.839 1.444 1.00 0.00 H new ATOM 0 HG22 THR A 98 2.555 1.225 2.807 1.00 0.00 H new ATOM 0 HG23 THR A 98 2.521 2.957 2.401 1.00 0.00 H new ATOM 1591 N PRO A 99 4.993 0.713 5.885 1.00 0.00 N ATOM 1592 CA PRO A 99 5.062 -0.521 6.671 1.00 0.00 C ATOM 1593 C PRO A 99 4.253 -0.431 7.960 1.00 0.00 C ATOM 1594 O PRO A 99 3.754 -1.438 8.464 1.00 0.00 O ATOM 1595 CB PRO A 99 6.560 -0.685 6.980 1.00 0.00 C ATOM 1596 CG PRO A 99 7.222 0.560 6.482 1.00 0.00 C ATOM 1597 CD PRO A 99 6.322 1.125 5.422 1.00 0.00 C ATOM 0 HA PRO A 99 4.640 -1.367 6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.726 -0.814 8.050 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.966 -1.567 6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 99 7.364 1.275 7.292 1.00 0.00 H new ATOM 0 HG3 PRO A 99 8.209 0.339 6.076 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.409 2.209 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.552 0.721 4.436 1.00 0.00 H new ATOM 1605 N ALA A 100 4.115 0.782 8.485 1.00 0.00 N ATOM 1606 CA ALA A 100 3.355 0.999 9.708 1.00 0.00 C ATOM 1607 C ALA A 100 1.860 0.933 9.424 1.00 0.00 C ATOM 1608 O ALA A 100 1.081 0.446 10.243 1.00 0.00 O ATOM 1609 CB ALA A 100 3.721 2.337 10.331 1.00 0.00 C ATOM 0 H ALA A 100 4.519 1.628 8.083 1.00 0.00 H new ATOM 0 HA ALA A 100 3.606 0.209 10.416 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.144 2.483 11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.785 2.349 10.568 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.497 3.139 9.628 1.00 0.00 H new ATOM 1615 N VAL A 101 1.468 1.419 8.251 1.00 0.00 N ATOM 1616 CA VAL A 101 0.070 1.408 7.847 1.00 0.00 C ATOM 1617 C VAL A 101 -0.411 -0.019 7.603 1.00 0.00 C ATOM 1618 O VAL A 101 -1.598 -0.316 7.734 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.153 2.240 6.568 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -1.635 2.318 6.229 1.00 0.00 C ATOM 1621 CG2 VAL A 101 0.438 3.633 6.728 1.00 0.00 C ATOM 0 H VAL A 101 2.102 1.826 7.563 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.503 1.852 8.661 1.00 0.00 H new ATOM 0 HB VAL A 101 0.358 1.745 5.742 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.770 2.909 5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.025 1.313 6.068 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.172 2.788 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.271 4.206 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.042 4.138 7.566 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.509 3.555 6.917 1.00 0.00 H new ATOM 1631 N ILE A 102 0.523 -0.900 7.250 1.00 0.00 N ATOM 1632 CA ILE A 102 0.194 -2.296 6.991 1.00 0.00 C ATOM 1633 C ILE A 102 -0.256 -2.997 8.266 1.00 0.00 C ATOM 1634 O ILE A 102 -1.095 -3.897 8.228 1.00 0.00 O ATOM 1635 CB ILE A 102 1.396 -3.057 6.396 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.041 -2.247 5.267 1.00 0.00 C ATOM 1637 CG2 ILE A 102 0.957 -4.422 5.889 1.00 0.00 C ATOM 1638 CD1 ILE A 102 1.062 -1.798 4.205 1.00 0.00 C ATOM 0 H ILE A 102 1.510 -0.671 7.138 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.622 -2.301 6.268 1.00 0.00 H new ATOM 0 HB ILE A 102 2.138 -3.200 7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.528 -1.370 5.693 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.820 -2.849 4.799 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.815 -4.948 5.472 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.543 -5.001 6.715 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.198 -4.296 5.117 1.00 0.00 H new ATOM 0 HD11 ILE A 102 1.591 -1.231 3.439 1.00 0.00 H new ATOM 0 HD12 ILE A 102 0.592 -2.671 3.751 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.296 -1.169 4.659 1.00 0.00 H new ATOM 1650 N SER A 103 0.306 -2.580 9.398 1.00 0.00 N ATOM 1651 CA SER A 103 -0.043 -3.171 10.684 1.00 0.00 C ATOM 1652 C SER A 103 -1.531 -3.003 10.973 1.00 0.00 C ATOM 1653 O SER A 103 -2.182 -3.915 11.482 1.00 0.00 O ATOM 1654 CB SER A 103 0.781 -2.534 11.804 1.00 0.00 C ATOM 1655 OG SER A 103 1.031 -3.461 12.846 1.00 0.00 O ATOM 0 H SER A 103 1.003 -1.837 9.449 1.00 0.00 H new ATOM 0 HA SER A 103 0.183 -4.236 10.639 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.727 -2.171 11.402 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.251 -1.669 12.202 1.00 0.00 H new ATOM 0 HG SER A 103 1.561 -3.029 13.548 1.00 0.00 H new ATOM 1661 N ALA A 104 -2.065 -1.831 10.641 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.477 -1.548 10.860 1.00 0.00 C ATOM 1663 C ALA A 104 -4.355 -2.536 10.100 1.00 0.00 C ATOM 1664 O ALA A 104 -5.456 -2.870 10.537 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.801 -0.121 10.445 1.00 0.00 C ATOM 0 H ALA A 104 -1.541 -1.064 10.220 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.685 -1.659 11.924 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.860 0.076 10.614 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.204 0.574 11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.572 0.011 9.388 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.856 -3.003 8.960 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.590 -3.958 8.137 1.00 0.00 C ATOM 1673 C PHE A 105 -4.867 -5.238 8.912 1.00 0.00 C ATOM 1674 O PHE A 105 -5.990 -5.738 8.921 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.801 -4.282 6.869 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.661 -4.654 5.693 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -5.023 -5.974 5.466 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -5.101 -3.684 4.808 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.806 -6.314 4.382 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.882 -4.020 3.723 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.235 -5.337 3.509 1.00 0.00 C ATOM 0 H PHE A 105 -2.946 -2.736 8.585 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.542 -3.505 7.860 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.191 -3.419 6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.116 -5.103 7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.688 -6.744 6.145 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.829 -2.651 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.083 -7.345 4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.218 -3.253 3.041 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.846 -5.602 2.659 1.00 0.00 H new ATOM 1691 N SER A 106 -3.834 -5.765 9.562 1.00 0.00 N ATOM 1692 CA SER A 106 -3.967 -6.991 10.339 1.00 0.00 C ATOM 1693 C SER A 106 -4.943 -6.798 11.494 1.00 0.00 C ATOM 1694 O SER A 106 -5.673 -7.719 11.861 1.00 0.00 O ATOM 1695 CB SER A 106 -2.604 -7.433 10.875 1.00 0.00 C ATOM 1696 OG SER A 106 -2.655 -8.760 11.365 1.00 0.00 O ATOM 0 H SER A 106 -2.897 -5.362 9.566 1.00 0.00 H new ATOM 0 HA SER A 106 -4.358 -7.767 9.681 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.858 -7.363 10.083 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.287 -6.760 11.672 1.00 0.00 H new ATOM 0 HG SER A 106 -1.771 -9.019 11.700 1.00 0.00 H new ATOM 1702 N THR A 107 -4.953 -5.597 12.063 1.00 0.00 N ATOM 1703 CA THR A 107 -5.844 -5.292 13.174 1.00 0.00 C ATOM 1704 C THR A 107 -7.268 -5.083 12.682 1.00 0.00 C ATOM 1705 O THR A 107 -8.214 -5.631 13.248 1.00 0.00 O ATOM 1706 CB THR A 107 -5.357 -4.052 13.927 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.032 -4.235 14.391 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.217 -3.701 15.122 1.00 0.00 C ATOM 0 H THR A 107 -4.356 -4.822 11.774 1.00 0.00 H new ATOM 0 HA THR A 107 -5.837 -6.141 13.857 1.00 0.00 H new ATOM 0 HB THR A 107 -5.414 -3.236 13.206 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.738 -3.431 14.868 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.816 -2.813 15.610 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.237 -3.504 14.791 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.218 -4.533 15.826 1.00 0.00 H new ATOM 1716 N MET A 108 -7.420 -4.309 11.613 1.00 0.00 N ATOM 1717 CA MET A 108 -8.735 -4.065 11.048 1.00 0.00 C ATOM 1718 C MET A 108 -9.225 -5.319 10.337 1.00 0.00 C ATOM 1719 O MET A 108 -10.424 -5.501 10.125 1.00 0.00 O ATOM 1720 CB MET A 108 -8.689 -2.881 10.084 1.00 0.00 C ATOM 1721 CG MET A 108 -8.707 -1.525 10.777 1.00 0.00 C ATOM 1722 SD MET A 108 -7.446 -1.366 12.055 1.00 0.00 S ATOM 1723 CE MET A 108 -8.351 -0.472 13.316 1.00 0.00 C ATOM 0 H MET A 108 -6.653 -3.845 11.126 1.00 0.00 H new ATOM 0 HA MET A 108 -9.430 -3.820 11.851 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.789 -2.955 9.474 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.540 -2.943 9.405 1.00 0.00 H new ATOM 0 HG2 MET A 108 -8.562 -0.742 10.033 1.00 0.00 H new ATOM 0 HG3 MET A 108 -9.689 -1.364 11.222 1.00 0.00 H new ATOM 0 HE1 MET A 108 -7.702 -0.297 14.174 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.687 0.484 12.914 1.00 0.00 H new ATOM 0 HE3 MET A 108 -9.215 -1.058 13.628 1.00 0.00 H new ATOM 1733 N MET A 109 -8.282 -6.192 9.991 1.00 0.00 N ATOM 1734 CA MET A 109 -8.604 -7.441 9.326 1.00 0.00 C ATOM 1735 C MET A 109 -9.416 -8.327 10.265 1.00 0.00 C ATOM 1736 O MET A 109 -10.363 -8.992 9.846 1.00 0.00 O ATOM 1737 CB MET A 109 -7.307 -8.146 8.888 1.00 0.00 C ATOM 1738 CG MET A 109 -7.330 -9.667 9.009 1.00 0.00 C ATOM 1739 SD MET A 109 -6.656 -10.248 10.578 1.00 0.00 S ATOM 1740 CE MET A 109 -6.235 -11.938 10.160 1.00 0.00 C ATOM 0 H MET A 109 -7.286 -6.052 10.163 1.00 0.00 H new ATOM 0 HA MET A 109 -9.203 -7.241 8.437 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.099 -7.882 7.851 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.481 -7.761 9.487 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.356 -10.021 8.905 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.758 -10.102 8.189 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.505 -12.595 10.987 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.780 -12.238 9.265 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.164 -12.011 9.973 1.00 0.00 H new ATOM 1750 N SER A 110 -9.041 -8.324 11.545 1.00 0.00 N ATOM 1751 CA SER A 110 -9.742 -9.123 12.544 1.00 0.00 C ATOM 1752 C SER A 110 -11.234 -8.805 12.538 1.00 0.00 C ATOM 1753 O SER A 110 -12.057 -9.624 12.946 1.00 0.00 O ATOM 1754 CB SER A 110 -9.157 -8.866 13.935 1.00 0.00 C ATOM 1755 OG SER A 110 -8.128 -9.792 14.235 1.00 0.00 O ATOM 0 H SER A 110 -8.260 -7.779 11.910 1.00 0.00 H new ATOM 0 HA SER A 110 -9.611 -10.176 12.293 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.763 -7.851 13.985 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.946 -8.939 14.684 1.00 0.00 H new ATOM 0 HG SER A 110 -7.770 -9.605 15.128 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.575 -7.607 12.069 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.963 -7.175 12.004 1.00 0.00 C ATOM 1763 C VAL A 111 -13.697 -7.859 10.851 1.00 0.00 C ATOM 1764 O VAL A 111 -14.846 -8.276 10.999 1.00 0.00 O ATOM 1765 CB VAL A 111 -13.060 -5.641 11.847 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.502 -5.204 11.632 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.466 -4.948 13.064 1.00 0.00 C ATOM 0 H VAL A 111 -10.904 -6.918 11.728 1.00 0.00 H new ATOM 0 HA VAL A 111 -13.438 -7.462 12.942 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.487 -5.351 10.966 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.542 -4.120 11.525 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.893 -5.673 10.729 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -15.105 -5.506 12.488 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.541 -3.868 12.940 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.013 -5.250 13.957 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.418 -5.230 13.168 1.00 0.00 H new ATOM 1777 N HIS A 112 -13.029 -7.977 9.706 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.629 -8.619 8.541 1.00 0.00 C ATOM 1779 C HIS A 112 -13.646 -10.136 8.711 1.00 0.00 C ATOM 1780 O HIS A 112 -14.538 -10.819 8.210 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.874 -8.231 7.261 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.583 -8.965 7.061 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.328 -10.277 6.850 1.00 0.00 N flip ATOM 1784 CD2 HIS A 112 -10.361 -8.341 7.080 1.00 0.00 C flip ATOM 1785 CE1 HIS A 112 -9.968 -10.418 6.754 1.00 0.00 C flip ATOM 1786 NE2 HIS A 112 -9.406 -9.235 6.895 1.00 0.00 N flip ATOM 0 H HIS A 112 -12.078 -7.639 9.561 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.658 -8.271 8.453 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.520 -8.415 6.402 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.670 -7.160 7.284 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -12.020 -11.023 6.776 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.204 -7.282 7.224 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.443 -11.347 6.590 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.652 -10.652 9.428 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.548 -12.085 9.671 1.00 0.00 C ATOM 1797 C ARG A 113 -13.524 -12.522 10.759 1.00 0.00 C ATOM 1798 O ARG A 113 -13.978 -13.666 10.776 1.00 0.00 O ATOM 1799 CB ARG A 113 -11.119 -12.452 10.073 1.00 0.00 C ATOM 1800 CG ARG A 113 -10.233 -12.826 8.896 1.00 0.00 C ATOM 1801 CD ARG A 113 -10.153 -14.333 8.714 1.00 0.00 C ATOM 1802 NE ARG A 113 -10.041 -14.710 7.308 1.00 0.00 N ATOM 1803 CZ ARG A 113 -8.942 -14.532 6.579 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -7.859 -13.984 7.118 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -8.924 -14.903 5.305 1.00 0.00 N ATOM 0 H ARG A 113 -11.907 -10.098 9.851 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.803 -12.606 8.748 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.671 -11.610 10.601 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.150 -13.287 10.773 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -10.623 -12.369 7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.232 -12.424 9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -9.294 -14.719 9.262 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.040 -14.798 9.144 1.00 0.00 H new ATOM 0 HE ARG A 113 -10.852 -15.134 6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -7.866 -13.697 8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -7.020 -13.851 6.553 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -9.752 -15.324 4.885 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.082 -14.767 4.746 1.00 0.00 H new