USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=30 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 106 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 MET CE :methyl -155:sc= 0 (180deg=-0.148) USER MOD Set 2.1: A 12 TYR OH : rot 30:sc= 0 USER MOD Set 2.2: A 103 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 96 THR OG1 : rot 180:sc= 0.138 USER MOD Set 3.2: A 97 ASN : amide:sc= -3.03 K(o=-2.9,f=-7.5!) USER MOD Set 4.1: A 65 LYS NZ :NH3+ -133:sc= 1.05 (180deg=0) USER MOD Set 4.2: A 68 SER OG : rot -48:sc= 0.979 USER MOD Set 4.3: A 72 MET CE :methyl -116:sc= -0.994 (180deg=-3.29!) USER MOD Set 5.1: A 23 TYR OH : rot 56:sc= -0.647! USER MOD Set 5.2: A 112 HIS : no HD1:sc= -17.7! C(o=-18!,f=-21!) USER MOD Set 6.1: A 20 THR OG1 : rot 71:sc= -0.996 USER MOD Set 6.2: A 108 MET CE :methyl -161:sc= 0 (180deg=-0.0249) USER MOD Set 7.1: A 18 TYR OH : rot 88:sc= -0.823 USER MOD Set 7.2: A 92 ASN : amide:sc= -0.314 K(o=-1.1,f=-9!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00196) USER MOD Single : A 29 GLN : amide:sc= -2.95 K(o=-3,f=-4!) USER MOD Single : A 30 ASN : amide:sc= -0.125 K(o=-0.13,f=-2!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -2.16 K(o=-2.2,f=-3) USER MOD Single : A 37 LYS NZ :NH3+ -147:sc= -0.0743 (180deg=-1.28) USER MOD Single : A 44 GLN : amide:sc= -0.0941 K(o=-0.094,f=-1.5!) 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= -2.5! (180deg=-3.46!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.57 K(o=-2.6,f=-7!) 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= 0.0583 USER MOD Single : A 67 LYS NZ :NH3+ -158:sc= -0.288 (180deg=-0.995) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 58:sc= -6.07! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -139:sc= -0.234 (180deg=-1.68) USER MOD Single : A 79 SER OG : rot 72:sc= 1.14 USER MOD Single : A 82 THR OG1 : rot -80:sc= -1.23 USER MOD Single : A 83 SER OG : rot -170:sc= -2.37! USER MOD Single : A 84 ASN : amide:sc= -0.262 K(o=-0.26,f=-2.3!) USER MOD Single : A 87 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.9) USER MOD Single : A 98 THR OG1 : rot -110:sc=-0.00908 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot -69:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -1.245 4.448 15.031 1.00 0.00 N ATOM 194 CA TYR A 12 -1.512 5.283 13.860 1.00 0.00 C ATOM 195 C TYR A 12 -2.854 4.932 13.224 1.00 0.00 C ATOM 196 O TYR A 12 -2.930 4.084 12.335 1.00 0.00 O ATOM 197 CB TYR A 12 -0.373 5.136 12.830 1.00 0.00 C ATOM 198 CG TYR A 12 0.517 3.932 13.073 1.00 0.00 C ATOM 199 CD1 TYR A 12 1.180 3.770 14.284 1.00 0.00 C ATOM 200 CD2 TYR A 12 0.667 2.944 12.108 1.00 0.00 C ATOM 201 CE1 TYR A 12 1.963 2.663 14.529 1.00 0.00 C ATOM 202 CE2 TYR A 12 1.457 1.833 12.343 1.00 0.00 C ATOM 203 CZ TYR A 12 2.101 1.696 13.556 1.00 0.00 C ATOM 204 OH TYR A 12 2.881 0.589 13.795 1.00 0.00 O ATOM 0 HA TYR A 12 -1.560 6.321 14.189 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.805 5.062 11.832 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.239 6.038 12.847 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.079 4.527 15.048 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.159 3.045 11.160 1.00 0.00 H new ATOM 0 HE1 TYR A 12 2.466 2.553 15.478 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.569 1.076 11.581 1.00 0.00 H new ATOM 0 HH TYR A 12 2.868 0.381 14.752 1.00 0.00 H new ATOM 214 N GLY A 13 -3.909 5.591 13.691 1.00 0.00 N ATOM 215 CA GLY A 13 -5.237 5.339 13.166 1.00 0.00 C ATOM 216 C GLY A 13 -5.460 5.970 11.805 1.00 0.00 C ATOM 217 O GLY A 13 -6.098 5.376 10.937 1.00 0.00 O ATOM 0 H GLY A 13 -3.867 6.297 14.426 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.396 4.263 13.093 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.979 5.724 13.866 1.00 0.00 H new ATOM 221 N ILE A 14 -4.938 7.179 11.618 1.00 0.00 N ATOM 222 CA ILE A 14 -5.093 7.883 10.350 1.00 0.00 C ATOM 223 C ILE A 14 -4.412 7.128 9.214 1.00 0.00 C ATOM 224 O ILE A 14 -5.000 6.925 8.152 1.00 0.00 O ATOM 225 CB ILE A 14 -4.527 9.317 10.422 1.00 0.00 C ATOM 226 CG1 ILE A 14 -4.769 10.060 9.104 1.00 0.00 C ATOM 227 CG2 ILE A 14 -3.042 9.290 10.753 1.00 0.00 C ATOM 228 CD1 ILE A 14 -6.211 10.023 8.642 1.00 0.00 C ATOM 0 H ILE A 14 -4.407 7.689 12.324 1.00 0.00 H new ATOM 0 HA ILE A 14 -6.163 7.940 10.151 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.048 9.850 11.217 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -4.460 11.099 9.220 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.137 9.625 8.330 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.661 10.310 10.799 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.893 8.803 11.717 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.507 8.738 9.980 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -6.306 10.569 7.703 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.519 8.988 8.493 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -6.847 10.485 9.397 1.00 0.00 H new ATOM 240 N GLU A 15 -3.172 6.706 9.443 1.00 0.00 N ATOM 241 CA GLU A 15 -2.426 5.966 8.434 1.00 0.00 C ATOM 242 C GLU A 15 -3.000 4.568 8.276 1.00 0.00 C ATOM 243 O GLU A 15 -3.031 4.016 7.177 1.00 0.00 O ATOM 244 CB GLU A 15 -0.945 5.893 8.808 1.00 0.00 C ATOM 245 CG GLU A 15 -0.116 7.026 8.228 1.00 0.00 C ATOM 246 CD GLU A 15 0.826 7.641 9.245 1.00 0.00 C ATOM 247 OE1 GLU A 15 1.754 6.936 9.696 1.00 0.00 O ATOM 248 OE2 GLU A 15 0.636 8.826 9.591 1.00 0.00 O ATOM 0 H GLU A 15 -2.666 6.863 10.314 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.516 6.491 7.483 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.852 5.905 9.894 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.538 4.942 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.462 6.652 7.383 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.782 7.798 7.842 1.00 0.00 H new ATOM 255 N GLY A 16 -3.472 4.005 9.382 1.00 0.00 N ATOM 256 CA GLY A 16 -4.060 2.684 9.339 1.00 0.00 C ATOM 257 C GLY A 16 -5.420 2.710 8.678 1.00 0.00 C ATOM 258 O GLY A 16 -5.798 1.770 7.980 1.00 0.00 O ATOM 0 H GLY A 16 -3.457 4.440 10.304 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.401 2.008 8.794 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.153 2.292 10.352 1.00 0.00 H new ATOM 262 N ARG A 17 -6.150 3.802 8.889 1.00 0.00 N ATOM 263 CA ARG A 17 -7.472 3.964 8.302 1.00 0.00 C ATOM 264 C ARG A 17 -7.385 3.985 6.781 1.00 0.00 C ATOM 265 O ARG A 17 -8.341 3.633 6.094 1.00 0.00 O ATOM 266 CB ARG A 17 -8.127 5.249 8.809 1.00 0.00 C ATOM 267 CG ARG A 17 -8.955 5.055 10.068 1.00 0.00 C ATOM 268 CD ARG A 17 -10.179 5.956 10.076 1.00 0.00 C ATOM 269 NE ARG A 17 -9.962 7.170 10.859 1.00 0.00 N ATOM 270 CZ ARG A 17 -10.915 8.060 11.127 1.00 0.00 C ATOM 271 NH1 ARG A 17 -12.149 7.878 10.676 1.00 0.00 N ATOM 272 NH2 ARG A 17 -10.631 9.137 11.848 1.00 0.00 N ATOM 0 H ARG A 17 -5.845 4.588 9.464 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.086 3.115 8.603 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.351 5.989 9.005 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.765 5.656 8.024 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.268 4.014 10.141 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.341 5.266 10.944 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.436 6.227 9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.029 5.409 10.484 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.025 7.346 11.222 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.372 7.052 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.875 8.564 10.885 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.683 9.282 12.196 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.360 9.820 12.054 1.00 0.00 H new ATOM 286 N TYR A 18 -6.231 4.391 6.256 1.00 0.00 N ATOM 287 CA TYR A 18 -6.032 4.440 4.814 1.00 0.00 C ATOM 288 C TYR A 18 -6.268 3.067 4.205 1.00 0.00 C ATOM 289 O TYR A 18 -7.077 2.909 3.290 1.00 0.00 O ATOM 290 CB TYR A 18 -4.613 4.911 4.489 1.00 0.00 C ATOM 291 CG TYR A 18 -4.531 6.339 4.010 1.00 0.00 C ATOM 292 CD1 TYR A 18 -4.894 7.391 4.840 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.084 6.636 2.730 1.00 0.00 C ATOM 294 CE1 TYR A 18 -4.814 8.699 4.407 1.00 0.00 C ATOM 295 CE2 TYR A 18 -4.002 7.941 2.287 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.368 8.971 3.130 1.00 0.00 C ATOM 297 OH TYR A 18 -4.287 10.273 2.695 1.00 0.00 O ATOM 0 H TYR A 18 -5.425 4.689 6.806 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.746 5.146 4.390 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.993 4.802 5.379 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.191 4.258 3.725 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.244 7.183 5.840 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.795 5.832 2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.099 9.506 5.065 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.654 8.155 1.287 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.411 10.643 2.932 1.00 0.00 H new ATOM 307 N ALA A 19 -5.559 2.078 4.727 1.00 0.00 N ATOM 308 CA ALA A 19 -5.692 0.714 4.247 1.00 0.00 C ATOM 309 C ALA A 19 -7.063 0.160 4.595 1.00 0.00 C ATOM 310 O ALA A 19 -7.695 -0.511 3.781 1.00 0.00 O ATOM 311 CB ALA A 19 -4.596 -0.163 4.834 1.00 0.00 C ATOM 0 H ALA A 19 -4.885 2.196 5.484 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.588 0.716 3.162 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.709 -1.182 4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.622 0.225 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.671 -0.160 5.921 1.00 0.00 H new ATOM 317 N THR A 20 -7.527 0.454 5.803 1.00 0.00 N ATOM 318 CA THR A 20 -8.831 -0.017 6.239 1.00 0.00 C ATOM 319 C THR A 20 -9.942 0.674 5.462 1.00 0.00 C ATOM 320 O THR A 20 -11.044 0.141 5.338 1.00 0.00 O ATOM 321 CB THR A 20 -9.020 0.190 7.741 1.00 0.00 C ATOM 322 OG1 THR A 20 -7.777 0.426 8.376 1.00 0.00 O ATOM 323 CG2 THR A 20 -9.659 -1.001 8.416 1.00 0.00 C ATOM 0 H THR A 20 -7.023 1.012 6.492 1.00 0.00 H new ATOM 0 HA THR A 20 -8.882 -1.087 6.037 1.00 0.00 H new ATOM 0 HB THR A 20 -9.679 1.052 7.841 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.445 1.314 8.126 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.769 -0.799 9.481 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.640 -1.185 7.978 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.029 -1.880 8.276 1.00 0.00 H new ATOM 331 N ALA A 21 -9.650 1.854 4.922 1.00 0.00 N ATOM 332 CA ALA A 21 -10.638 2.582 4.145 1.00 0.00 C ATOM 333 C ALA A 21 -10.549 2.211 2.671 1.00 0.00 C ATOM 334 O ALA A 21 -11.279 2.747 1.839 1.00 0.00 O ATOM 335 CB ALA A 21 -10.478 4.082 4.337 1.00 0.00 C ATOM 0 H ALA A 21 -8.746 2.319 5.009 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.627 2.299 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.228 4.607 3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.608 4.330 5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.483 4.386 4.013 1.00 0.00 H new ATOM 341 N LEU A 22 -9.673 1.261 2.361 1.00 0.00 N ATOM 342 CA LEU A 22 -9.516 0.785 0.994 1.00 0.00 C ATOM 343 C LEU A 22 -9.813 -0.693 0.968 1.00 0.00 C ATOM 344 O LEU A 22 -10.486 -1.196 0.070 1.00 0.00 O ATOM 345 CB LEU A 22 -8.107 1.058 0.468 1.00 0.00 C ATOM 346 CG LEU A 22 -7.865 0.600 -0.973 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.239 1.717 -1.794 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.987 -0.643 -0.997 1.00 0.00 C ATOM 0 H LEU A 22 -9.061 0.806 3.039 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.210 1.319 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.910 2.128 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.388 0.561 1.119 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.827 0.349 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.075 1.371 -2.814 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.907 2.578 -1.806 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.285 2.004 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.825 -0.954 -2.029 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.027 -0.420 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.479 -1.446 -0.448 1.00 0.00 H new ATOM 360 N TYR A 23 -9.341 -1.373 1.998 1.00 0.00 N ATOM 361 CA TYR A 23 -9.589 -2.780 2.139 1.00 0.00 C ATOM 362 C TYR A 23 -11.027 -2.982 2.615 1.00 0.00 C ATOM 363 O TYR A 23 -11.595 -4.057 2.444 1.00 0.00 O ATOM 364 CB TYR A 23 -8.573 -3.400 3.108 1.00 0.00 C ATOM 365 CG TYR A 23 -9.187 -4.039 4.328 1.00 0.00 C ATOM 366 CD1 TYR A 23 -9.937 -5.194 4.212 1.00 0.00 C ATOM 367 CD2 TYR A 23 -9.024 -3.485 5.586 1.00 0.00 C ATOM 368 CE1 TYR A 23 -10.515 -5.784 5.311 1.00 0.00 C ATOM 369 CE2 TYR A 23 -9.595 -4.063 6.694 1.00 0.00 C ATOM 370 CZ TYR A 23 -10.344 -5.214 6.556 1.00 0.00 C ATOM 371 OH TYR A 23 -10.915 -5.794 7.665 1.00 0.00 O ATOM 0 H TYR A 23 -8.783 -0.963 2.747 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.468 -3.284 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.991 -4.151 2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.877 -2.626 3.430 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.072 -5.642 3.239 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.439 -2.584 5.698 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.098 -6.686 5.201 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -9.458 -3.619 7.669 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.625 -6.728 7.732 1.00 0.00 H new ATOM 381 N SER A 24 -11.626 -1.928 3.198 1.00 0.00 N ATOM 382 CA SER A 24 -13.007 -2.010 3.663 1.00 0.00 C ATOM 383 C SER A 24 -13.875 -2.602 2.562 1.00 0.00 C ATOM 384 O SER A 24 -14.756 -3.424 2.816 1.00 0.00 O ATOM 385 CB SER A 24 -13.523 -0.626 4.065 1.00 0.00 C ATOM 386 OG SER A 24 -14.940 -0.577 4.031 1.00 0.00 O ATOM 0 H SER A 24 -11.177 -1.026 3.353 1.00 0.00 H new ATOM 0 HA SER A 24 -13.051 -2.654 4.541 1.00 0.00 H new ATOM 0 HB2 SER A 24 -13.172 -0.381 5.068 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.114 0.127 3.391 1.00 0.00 H new ATOM 0 HG SER A 24 -15.243 0.317 4.293 1.00 0.00 H new ATOM 392 N ALA A 25 -13.578 -2.207 1.327 1.00 0.00 N ATOM 393 CA ALA A 25 -14.285 -2.725 0.169 1.00 0.00 C ATOM 394 C ALA A 25 -13.758 -4.114 -0.141 1.00 0.00 C ATOM 395 O ALA A 25 -14.511 -5.013 -0.516 1.00 0.00 O ATOM 396 CB ALA A 25 -14.113 -1.800 -1.026 1.00 0.00 C ATOM 0 H ALA A 25 -12.850 -1.528 1.106 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.352 -2.781 0.386 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.651 -2.208 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.510 -0.814 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -13.054 -1.714 -1.270 1.00 0.00 H new ATOM 402 N ALA A 26 -12.453 -4.282 0.046 1.00 0.00 N ATOM 403 CA ALA A 26 -11.809 -5.568 -0.181 1.00 0.00 C ATOM 404 C ALA A 26 -12.361 -6.620 0.774 1.00 0.00 C ATOM 405 O ALA A 26 -12.364 -7.810 0.465 1.00 0.00 O ATOM 406 CB ALA A 26 -10.304 -5.442 -0.012 1.00 0.00 C ATOM 0 H ALA A 26 -11.822 -3.543 0.354 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.021 -5.883 -1.202 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.836 -6.411 -0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.917 -4.719 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.078 -5.105 1.000 1.00 0.00 H new ATOM 412 N SER A 27 -12.831 -6.171 1.936 1.00 0.00 N ATOM 413 CA SER A 27 -13.392 -7.070 2.937 1.00 0.00 C ATOM 414 C SER A 27 -14.625 -7.775 2.386 1.00 0.00 C ATOM 415 O SER A 27 -14.738 -8.999 2.455 1.00 0.00 O ATOM 416 CB SER A 27 -13.769 -6.291 4.199 1.00 0.00 C ATOM 417 OG SER A 27 -14.625 -7.052 5.034 1.00 0.00 O ATOM 0 H SER A 27 -12.833 -5.187 2.206 1.00 0.00 H new ATOM 0 HA SER A 27 -12.638 -7.816 3.188 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.866 -6.023 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.262 -5.359 3.921 1.00 0.00 H new ATOM 0 HG SER A 27 -14.849 -6.532 5.834 1.00 0.00 H new ATOM 423 N LYS A 28 -15.548 -6.990 1.832 1.00 0.00 N ATOM 424 CA LYS A 28 -16.775 -7.535 1.261 1.00 0.00 C ATOM 425 C LYS A 28 -16.453 -8.615 0.235 1.00 0.00 C ATOM 426 O LYS A 28 -17.109 -9.656 0.186 1.00 0.00 O ATOM 427 CB LYS A 28 -17.599 -6.423 0.609 1.00 0.00 C ATOM 428 CG LYS A 28 -18.931 -6.898 0.054 1.00 0.00 C ATOM 429 CD LYS A 28 -19.562 -5.853 -0.851 1.00 0.00 C ATOM 430 CE LYS A 28 -20.642 -6.459 -1.734 1.00 0.00 C ATOM 431 NZ LYS A 28 -20.065 -7.201 -2.888 1.00 0.00 N ATOM 0 H LYS A 28 -15.468 -5.975 1.767 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.359 -7.981 2.066 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -17.780 -5.638 1.344 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.017 -5.977 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -18.785 -7.823 -0.504 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -19.609 -7.125 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.992 -5.056 -0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.793 -5.399 -1.475 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.259 -7.134 -1.141 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.296 -5.668 -2.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -20.834 -7.584 -3.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -19.483 -6.556 -3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.475 -7.982 -2.538 1.00 0.00 H new ATOM 445 N GLN A 29 -15.432 -8.362 -0.575 1.00 0.00 N ATOM 446 CA GLN A 29 -15.012 -9.314 -1.592 1.00 0.00 C ATOM 447 C GLN A 29 -14.216 -10.449 -0.957 1.00 0.00 C ATOM 448 O GLN A 29 -14.380 -11.611 -1.326 1.00 0.00 O ATOM 449 CB GLN A 29 -14.171 -8.617 -2.662 1.00 0.00 C ATOM 450 CG GLN A 29 -14.941 -7.579 -3.461 1.00 0.00 C ATOM 451 CD GLN A 29 -14.605 -6.159 -3.051 1.00 0.00 C ATOM 452 OE1 GLN A 29 -13.434 -5.796 -2.933 1.00 0.00 O ATOM 453 NE2 GLN A 29 -15.632 -5.347 -2.832 1.00 0.00 N ATOM 0 H GLN A 29 -14.880 -7.505 -0.546 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.902 -9.730 -2.064 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.317 -8.136 -2.185 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.773 -9.367 -3.345 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.724 -7.708 -4.521 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -16.010 -7.747 -3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.586 -5.690 -2.942 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.467 -4.380 -2.554 1.00 0.00 H new ATOM 462 N ASN A 30 -13.349 -10.091 -0.005 1.00 0.00 N ATOM 463 CA ASN A 30 -12.504 -11.055 0.702 1.00 0.00 C ATOM 464 C ASN A 30 -11.145 -11.143 0.030 1.00 0.00 C ATOM 465 O ASN A 30 -10.513 -12.199 0.004 1.00 0.00 O ATOM 466 CB ASN A 30 -13.152 -12.444 0.763 1.00 0.00 C ATOM 467 CG ASN A 30 -12.579 -13.300 1.874 1.00 0.00 C ATOM 468 OD1 ASN A 30 -11.881 -12.805 2.760 1.00 0.00 O ATOM 469 ND2 ASN A 30 -12.871 -14.596 1.833 1.00 0.00 N ATOM 0 H ASN A 30 -13.214 -9.126 0.296 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.383 -10.702 1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.227 -12.335 0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.011 -12.950 -0.192 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.513 -15.222 2.554 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.453 -14.964 1.081 1.00 0.00 H new ATOM 476 N LYS A 31 -10.704 -10.016 -0.515 1.00 0.00 N ATOM 477 CA LYS A 31 -9.422 -9.948 -1.192 1.00 0.00 C ATOM 478 C LYS A 31 -8.306 -9.573 -0.223 1.00 0.00 C ATOM 479 O LYS A 31 -7.194 -9.270 -0.649 1.00 0.00 O ATOM 480 CB LYS A 31 -9.481 -8.937 -2.339 1.00 0.00 C ATOM 481 CG LYS A 31 -9.809 -9.564 -3.685 1.00 0.00 C ATOM 482 CD LYS A 31 -11.303 -9.527 -3.965 1.00 0.00 C ATOM 483 CE LYS A 31 -11.771 -10.798 -4.655 1.00 0.00 C ATOM 484 NZ LYS A 31 -11.525 -10.756 -6.123 1.00 0.00 N ATOM 0 H LYS A 31 -11.220 -9.136 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.204 -10.936 -1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.231 -8.180 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.522 -8.424 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.276 -9.034 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.460 -10.596 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.847 -9.398 -3.029 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.536 -8.665 -4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.254 -11.656 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.835 -10.941 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.858 -11.641 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.038 -9.952 -6.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.506 -10.645 -6.301 1.00 0.00 H new ATOM 498 N LEU A 32 -8.595 -9.599 1.081 1.00 0.00 N ATOM 499 CA LEU A 32 -7.597 -9.268 2.088 1.00 0.00 C ATOM 500 C LEU A 32 -6.272 -9.963 1.799 1.00 0.00 C ATOM 501 O LEU A 32 -5.207 -9.446 2.125 1.00 0.00 O ATOM 502 CB LEU A 32 -8.127 -9.653 3.462 1.00 0.00 C ATOM 503 CG LEU A 32 -9.063 -8.616 4.083 1.00 0.00 C ATOM 504 CD1 LEU A 32 -8.247 -7.583 4.845 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.920 -7.951 3.013 1.00 0.00 C ATOM 0 H LEU A 32 -9.510 -9.846 1.458 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.409 -8.195 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.656 -10.603 3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.283 -9.813 4.133 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.735 -9.117 4.779 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.916 -6.845 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.680 -8.077 5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.559 -7.086 4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.578 -7.217 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.276 -7.453 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.520 -8.707 2.506 1.00 0.00 H new ATOM 517 N GLU A 33 -6.344 -11.123 1.160 1.00 0.00 N ATOM 518 CA GLU A 33 -5.142 -11.867 0.803 1.00 0.00 C ATOM 519 C GLU A 33 -4.463 -11.212 -0.397 1.00 0.00 C ATOM 520 O GLU A 33 -3.240 -11.237 -0.528 1.00 0.00 O ATOM 521 CB GLU A 33 -5.486 -13.323 0.485 1.00 0.00 C ATOM 522 CG GLU A 33 -4.424 -14.311 0.939 1.00 0.00 C ATOM 523 CD GLU A 33 -3.050 -13.987 0.385 1.00 0.00 C ATOM 524 OE1 GLU A 33 -2.941 -13.769 -0.841 1.00 0.00 O ATOM 525 OE2 GLU A 33 -2.084 -13.951 1.175 1.00 0.00 O ATOM 0 H GLU A 33 -7.218 -11.568 0.879 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.458 -11.853 1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.433 -13.576 0.961 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.631 -13.427 -0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.380 -14.317 2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.710 -15.315 0.626 1.00 0.00 H new ATOM 532 N GLN A 34 -5.277 -10.614 -1.261 1.00 0.00 N ATOM 533 CA GLN A 34 -4.784 -9.929 -2.450 1.00 0.00 C ATOM 534 C GLN A 34 -4.458 -8.468 -2.145 1.00 0.00 C ATOM 535 O GLN A 34 -3.803 -7.791 -2.938 1.00 0.00 O ATOM 536 CB GLN A 34 -5.823 -10.014 -3.569 1.00 0.00 C ATOM 537 CG GLN A 34 -5.279 -9.643 -4.938 1.00 0.00 C ATOM 538 CD GLN A 34 -4.278 -10.651 -5.468 1.00 0.00 C ATOM 539 OE1 GLN A 34 -4.170 -11.765 -4.956 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.538 -10.261 -6.501 1.00 0.00 N ATOM 0 H GLN A 34 -6.291 -10.591 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.867 -10.421 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.219 -11.029 -3.608 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.657 -9.355 -3.329 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.107 -9.557 -5.641 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.805 -8.663 -4.882 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.662 -9.328 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.846 -10.895 -6.901 1.00 0.00 H new ATOM 549 N VAL A 35 -4.912 -7.984 -0.989 1.00 0.00 N ATOM 550 CA VAL A 35 -4.658 -6.603 -0.587 1.00 0.00 C ATOM 551 C VAL A 35 -3.632 -6.539 0.539 1.00 0.00 C ATOM 552 O VAL A 35 -2.915 -5.550 0.684 1.00 0.00 O ATOM 553 CB VAL A 35 -5.945 -5.881 -0.112 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.928 -4.427 -0.551 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.209 -6.583 -0.608 1.00 0.00 C ATOM 0 H VAL A 35 -5.455 -8.526 -0.317 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.276 -6.098 -1.474 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.962 -5.919 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.838 -3.933 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.061 -3.927 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.873 -4.376 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.088 -6.045 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.211 -6.602 -1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.231 -7.604 -0.228 1.00 0.00 H new ATOM 565 N GLU A 36 -3.563 -7.604 1.326 1.00 0.00 N ATOM 566 CA GLU A 36 -2.620 -7.675 2.435 1.00 0.00 C ATOM 567 C GLU A 36 -1.279 -8.175 1.934 1.00 0.00 C ATOM 568 O GLU A 36 -0.227 -7.666 2.320 1.00 0.00 O ATOM 569 CB GLU A 36 -3.142 -8.596 3.540 1.00 0.00 C ATOM 570 CG GLU A 36 -2.336 -8.519 4.826 1.00 0.00 C ATOM 571 CD GLU A 36 -1.330 -9.647 4.952 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.364 -9.672 4.160 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.508 -10.505 5.841 1.00 0.00 O ATOM 0 H GLU A 36 -4.149 -8.432 1.217 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.502 -6.675 2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.179 -8.340 3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.136 -9.624 3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.812 -7.564 4.866 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.015 -8.546 5.678 1.00 0.00 H new ATOM 580 N LYS A 37 -1.327 -9.161 1.047 1.00 0.00 N ATOM 581 CA LYS A 37 -0.115 -9.706 0.468 1.00 0.00 C ATOM 582 C LYS A 37 0.507 -8.664 -0.437 1.00 0.00 C ATOM 583 O LYS A 37 1.729 -8.525 -0.496 1.00 0.00 O ATOM 584 CB LYS A 37 -0.409 -10.990 -0.312 1.00 0.00 C ATOM 585 CG LYS A 37 0.804 -11.890 -0.481 1.00 0.00 C ATOM 586 CD LYS A 37 1.667 -11.448 -1.653 1.00 0.00 C ATOM 587 CE LYS A 37 2.698 -12.505 -2.016 1.00 0.00 C ATOM 588 NZ LYS A 37 3.379 -13.054 -0.810 1.00 0.00 N ATOM 0 H LYS A 37 -2.189 -9.595 0.717 1.00 0.00 H new ATOM 0 HA LYS A 37 0.582 -9.961 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.194 -11.545 0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.796 -10.727 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.397 -11.879 0.434 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.477 -12.918 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.033 -11.245 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.173 -10.516 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.211 -13.315 -2.559 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.440 -12.073 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 4.362 -13.297 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.372 -12.341 -0.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.879 -13.907 -0.487 1.00 0.00 H new ATOM 602 N GLU A 38 -0.345 -7.902 -1.117 1.00 0.00 N ATOM 603 CA GLU A 38 0.133 -6.847 -1.980 1.00 0.00 C ATOM 604 C GLU A 38 0.688 -5.718 -1.123 1.00 0.00 C ATOM 605 O GLU A 38 1.827 -5.294 -1.298 1.00 0.00 O ATOM 606 CB GLU A 38 -1.000 -6.340 -2.866 1.00 0.00 C ATOM 607 CG GLU A 38 -1.079 -7.041 -4.211 1.00 0.00 C ATOM 608 CD GLU A 38 -1.256 -8.540 -4.073 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.333 -9.202 -3.552 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.316 -9.053 -4.487 1.00 0.00 O ATOM 0 H GLU A 38 -1.360 -8.000 -1.083 1.00 0.00 H new ATOM 0 HA GLU A 38 0.923 -7.230 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.947 -6.470 -2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.871 -5.270 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.911 -6.631 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.171 -6.836 -4.778 1.00 0.00 H new ATOM 617 N LEU A 39 -0.121 -5.249 -0.178 1.00 0.00 N ATOM 618 CA LEU A 39 0.294 -4.178 0.721 1.00 0.00 C ATOM 619 C LEU A 39 1.674 -4.461 1.307 1.00 0.00 C ATOM 620 O LEU A 39 2.427 -3.539 1.620 1.00 0.00 O ATOM 621 CB LEU A 39 -0.727 -4.005 1.849 1.00 0.00 C ATOM 622 CG LEU A 39 -1.798 -2.943 1.594 1.00 0.00 C ATOM 623 CD1 LEU A 39 -3.068 -3.268 2.367 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.278 -1.563 1.974 1.00 0.00 C ATOM 0 H LEU A 39 -1.067 -5.594 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 39 0.348 -3.255 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.220 -4.962 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.194 -3.750 2.765 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.036 -2.941 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.818 -2.501 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.450 -4.238 2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.847 -3.298 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.052 -0.818 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.013 -1.553 3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.397 -1.329 1.376 1.00 0.00 H new ATOM 636 N LEU A 40 2.006 -5.743 1.448 1.00 0.00 N ATOM 637 CA LEU A 40 3.301 -6.134 1.991 1.00 0.00 C ATOM 638 C LEU A 40 4.430 -5.734 1.045 1.00 0.00 C ATOM 639 O LEU A 40 5.567 -5.534 1.472 1.00 0.00 O ATOM 640 CB LEU A 40 3.340 -7.642 2.247 1.00 0.00 C ATOM 641 CG LEU A 40 4.189 -8.073 3.443 1.00 0.00 C ATOM 642 CD1 LEU A 40 3.544 -7.624 4.746 1.00 0.00 C ATOM 643 CD2 LEU A 40 4.388 -9.582 3.438 1.00 0.00 C ATOM 0 H LEU A 40 1.399 -6.523 1.195 1.00 0.00 H new ATOM 0 HA LEU A 40 3.442 -5.612 2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.320 -7.996 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.720 -8.137 1.354 1.00 0.00 H new ATOM 0 HG LEU A 40 5.166 -7.596 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.163 -7.940 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.452 -6.538 4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.554 -8.072 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.995 -9.872 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.419 -10.077 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.894 -9.879 2.519 1.00 0.00 H new ATOM 655 N ARG A 41 4.110 -5.619 -0.240 1.00 0.00 N ATOM 656 CA ARG A 41 5.098 -5.241 -1.241 1.00 0.00 C ATOM 657 C ARG A 41 5.511 -3.782 -1.074 1.00 0.00 C ATOM 658 O ARG A 41 6.697 -3.474 -0.965 1.00 0.00 O ATOM 659 CB ARG A 41 4.556 -5.477 -2.652 1.00 0.00 C ATOM 660 CG ARG A 41 4.909 -6.845 -3.218 1.00 0.00 C ATOM 661 CD ARG A 41 4.442 -7.968 -2.304 1.00 0.00 C ATOM 662 NE ARG A 41 5.216 -9.191 -2.503 1.00 0.00 N ATOM 663 CZ ARG A 41 5.265 -10.188 -1.622 1.00 0.00 C ATOM 664 NH1 ARG A 41 4.586 -10.112 -0.483 1.00 0.00 N ATOM 665 NH2 ARG A 41 5.994 -11.265 -1.879 1.00 0.00 N ATOM 0 H ARG A 41 3.174 -5.782 -0.611 1.00 0.00 H new ATOM 0 HA ARG A 41 5.978 -5.868 -1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.472 -5.367 -2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.947 -4.706 -3.316 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.452 -6.961 -4.201 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.988 -6.914 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.527 -7.650 -1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.387 -8.172 -2.489 1.00 0.00 H new ATOM 0 HE ARG A 41 5.750 -9.287 -3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.023 -9.286 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.628 -10.879 0.188 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.518 -11.330 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.031 -12.029 -1.204 1.00 0.00 H new ATOM 679 N VAL A 42 4.528 -2.885 -1.046 1.00 0.00 N ATOM 680 CA VAL A 42 4.805 -1.463 -0.884 1.00 0.00 C ATOM 681 C VAL A 42 5.604 -1.211 0.389 1.00 0.00 C ATOM 682 O VAL A 42 6.411 -0.285 0.454 1.00 0.00 O ATOM 683 CB VAL A 42 3.506 -0.628 -0.844 1.00 0.00 C ATOM 684 CG1 VAL A 42 3.822 0.859 -0.738 1.00 0.00 C ATOM 685 CG2 VAL A 42 2.649 -0.905 -2.070 1.00 0.00 C ATOM 0 H VAL A 42 3.539 -3.117 -1.133 1.00 0.00 H new ATOM 0 HA VAL A 42 5.390 -1.152 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 42 2.943 -0.922 0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.892 1.428 -0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.388 1.047 0.174 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.412 1.168 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 42 1.739 -0.306 -2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.206 -0.645 -2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.386 -1.962 -2.099 1.00 0.00 H new ATOM 695 N GLY A 43 5.380 -2.047 1.397 1.00 0.00 N ATOM 696 CA GLY A 43 6.098 -1.898 2.648 1.00 0.00 C ATOM 697 C GLY A 43 7.515 -2.420 2.553 1.00 0.00 C ATOM 698 O GLY A 43 8.441 -1.824 3.102 1.00 0.00 O ATOM 0 H GLY A 43 4.717 -2.822 1.370 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.117 -0.846 2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.567 -2.431 3.437 1.00 0.00 H new ATOM 702 N GLN A 44 7.684 -3.531 1.845 1.00 0.00 N ATOM 703 CA GLN A 44 9.000 -4.130 1.669 1.00 0.00 C ATOM 704 C GLN A 44 9.851 -3.279 0.733 1.00 0.00 C ATOM 705 O GLN A 44 11.076 -3.253 0.842 1.00 0.00 O ATOM 706 CB GLN A 44 8.871 -5.550 1.117 1.00 0.00 C ATOM 707 CG GLN A 44 8.673 -6.605 2.191 1.00 0.00 C ATOM 708 CD GLN A 44 9.981 -7.212 2.661 1.00 0.00 C ATOM 709 OE1 GLN A 44 11.061 -6.747 2.295 1.00 0.00 O ATOM 710 NE2 GLN A 44 9.891 -8.255 3.478 1.00 0.00 N ATOM 0 H GLN A 44 6.926 -4.034 1.384 1.00 0.00 H new ATOM 0 HA GLN A 44 9.489 -4.176 2.642 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.030 -5.586 0.425 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.766 -5.791 0.544 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.157 -6.160 3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.028 -7.395 1.805 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.975 -8.608 3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.738 -8.703 3.828 1.00 0.00 H new ATOM 719 N ILE A 45 9.189 -2.578 -0.186 1.00 0.00 N ATOM 720 CA ILE A 45 9.885 -1.722 -1.136 1.00 0.00 C ATOM 721 C ILE A 45 10.375 -0.449 -0.456 1.00 0.00 C ATOM 722 O ILE A 45 11.541 -0.078 -0.580 1.00 0.00 O ATOM 723 CB ILE A 45 8.973 -1.351 -2.327 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.584 -2.608 -3.107 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.660 -0.345 -3.244 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.361 -2.424 -3.980 1.00 0.00 C ATOM 0 H ILE A 45 8.174 -2.588 -0.290 1.00 0.00 H new ATOM 0 HA ILE A 45 10.742 -2.281 -1.512 1.00 0.00 H new ATOM 0 HB ILE A 45 8.067 -0.888 -1.935 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.424 -2.912 -3.732 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.399 -3.420 -2.403 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.999 -0.099 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.890 0.561 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.583 -0.776 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.144 -3.355 -4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.508 -2.149 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.549 -1.634 -4.708 1.00 0.00 H new ATOM 738 N LEU A 46 9.481 0.217 0.267 1.00 0.00 N ATOM 739 CA LEU A 46 9.839 1.446 0.962 1.00 0.00 C ATOM 740 C LEU A 46 10.711 1.150 2.179 1.00 0.00 C ATOM 741 O LEU A 46 11.470 2.007 2.632 1.00 0.00 O ATOM 742 CB LEU A 46 8.580 2.207 1.380 1.00 0.00 C ATOM 743 CG LEU A 46 7.648 2.599 0.228 1.00 0.00 C ATOM 744 CD1 LEU A 46 6.603 3.600 0.701 1.00 0.00 C ATOM 745 CD2 LEU A 46 8.445 3.170 -0.937 1.00 0.00 C ATOM 0 H LEU A 46 8.510 -0.072 0.386 1.00 0.00 H new ATOM 0 HA LEU A 46 10.413 2.069 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.021 1.594 2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.879 3.112 1.909 1.00 0.00 H new ATOM 0 HG LEU A 46 7.134 1.701 -0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.951 3.866 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.009 3.156 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.100 4.496 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.765 3.442 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.989 4.055 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.153 2.422 -1.295 1.00 0.00 H new ATOM 757 N LYS A 47 10.608 -0.070 2.697 1.00 0.00 N ATOM 758 CA LYS A 47 11.399 -0.477 3.852 1.00 0.00 C ATOM 759 C LYS A 47 12.796 -0.911 3.418 1.00 0.00 C ATOM 760 O LYS A 47 13.749 -0.837 4.195 1.00 0.00 O ATOM 761 CB LYS A 47 10.706 -1.617 4.600 1.00 0.00 C ATOM 762 CG LYS A 47 11.453 -2.069 5.844 1.00 0.00 C ATOM 763 CD LYS A 47 12.417 -3.203 5.534 1.00 0.00 C ATOM 764 CE LYS A 47 11.801 -4.558 5.844 1.00 0.00 C ATOM 765 NZ LYS A 47 12.833 -5.565 6.216 1.00 0.00 N ATOM 0 H LYS A 47 9.985 -0.793 2.336 1.00 0.00 H new ATOM 0 HA LYS A 47 11.490 0.378 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 47 9.703 -1.298 4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.591 -2.466 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.003 -1.227 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.739 -2.394 6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.701 -3.163 4.482 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.330 -3.075 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.085 -4.453 6.659 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.245 -4.911 4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.373 -6.475 6.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.502 -5.684 5.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.347 -5.240 7.060 1.00 0.00 H new ATOM 779 N GLU A 48 12.910 -1.363 2.172 1.00 0.00 N ATOM 780 CA GLU A 48 14.190 -1.806 1.632 1.00 0.00 C ATOM 781 C GLU A 48 15.224 -0.684 1.687 1.00 0.00 C ATOM 782 O GLU A 48 14.880 0.493 1.576 1.00 0.00 O ATOM 783 CB GLU A 48 14.016 -2.285 0.190 1.00 0.00 C ATOM 784 CG GLU A 48 13.760 -3.779 0.070 1.00 0.00 C ATOM 785 CD GLU A 48 14.991 -4.547 -0.369 1.00 0.00 C ATOM 786 OE1 GLU A 48 15.395 -4.401 -1.542 1.00 0.00 O ATOM 787 OE2 GLU A 48 15.552 -5.295 0.460 1.00 0.00 O ATOM 0 H GLU A 48 12.130 -1.432 1.518 1.00 0.00 H new ATOM 0 HA GLU A 48 14.549 -2.634 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.186 -1.745 -0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 48 14.911 -2.032 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.419 -4.164 1.031 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.955 -3.950 -0.645 1.00 0.00 H new ATOM 794 N PRO A 49 16.510 -1.035 1.859 1.00 0.00 N ATOM 795 CA PRO A 49 17.594 -0.051 1.928 1.00 0.00 C ATOM 796 C PRO A 49 17.902 0.567 0.568 1.00 0.00 C ATOM 797 O PRO A 49 18.084 1.779 0.453 1.00 0.00 O ATOM 798 CB PRO A 49 18.784 -0.873 2.424 1.00 0.00 C ATOM 799 CG PRO A 49 18.504 -2.259 1.959 1.00 0.00 C ATOM 800 CD PRO A 49 17.008 -2.418 2.000 1.00 0.00 C ATOM 0 HA PRO A 49 17.342 0.792 2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.722 -0.499 2.014 1.00 0.00 H new ATOM 0 HB3 PRO A 49 18.871 -0.829 3.510 1.00 0.00 H new ATOM 0 HG2 PRO A 49 18.885 -2.416 0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.992 -2.992 2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 49 16.650 -3.058 1.193 1.00 0.00 H new ATOM 0 HD3 PRO A 49 16.678 -2.870 2.935 1.00 0.00 H new ATOM 808 N LYS A 50 17.959 -0.273 -0.459 1.00 0.00 N ATOM 809 CA LYS A 50 18.246 0.190 -1.812 1.00 0.00 C ATOM 810 C LYS A 50 17.088 1.021 -2.359 1.00 0.00 C ATOM 811 O LYS A 50 17.296 1.967 -3.118 1.00 0.00 O ATOM 812 CB LYS A 50 18.516 -0.999 -2.734 1.00 0.00 C ATOM 813 CG LYS A 50 19.533 -0.705 -3.825 1.00 0.00 C ATOM 814 CD LYS A 50 20.956 -0.813 -3.303 1.00 0.00 C ATOM 815 CE LYS A 50 21.882 -1.431 -4.338 1.00 0.00 C ATOM 816 NZ LYS A 50 22.890 -2.331 -3.713 1.00 0.00 N ATOM 0 H LYS A 50 17.810 -1.279 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 50 19.135 0.819 -1.773 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.870 -1.839 -2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 50 17.579 -1.309 -3.196 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.394 -1.402 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 50 19.364 0.297 -4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.321 0.177 -3.031 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.967 -1.417 -2.396 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.293 -1.993 -5.063 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.392 -0.640 -4.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 23.502 -2.733 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 23.469 -1.789 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.404 -3.101 -3.210 1.00 0.00 H new ATOM 830 N MET A 51 15.871 0.658 -1.968 1.00 0.00 N ATOM 831 CA MET A 51 14.681 1.371 -2.420 1.00 0.00 C ATOM 832 C MET A 51 14.418 2.599 -1.556 1.00 0.00 C ATOM 833 O MET A 51 13.866 3.594 -2.026 1.00 0.00 O ATOM 834 CB MET A 51 13.464 0.445 -2.389 1.00 0.00 C ATOM 835 CG MET A 51 13.254 -0.335 -3.676 1.00 0.00 C ATOM 836 SD MET A 51 13.025 0.733 -5.112 1.00 0.00 S ATOM 837 CE MET A 51 11.922 1.976 -4.442 1.00 0.00 C ATOM 0 H MET A 51 15.683 -0.124 -1.341 1.00 0.00 H new ATOM 0 HA MET A 51 14.855 1.700 -3.444 1.00 0.00 H new ATOM 0 HB2 MET A 51 13.575 -0.258 -1.563 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.573 1.038 -2.185 1.00 0.00 H new ATOM 0 HG2 MET A 51 14.112 -0.985 -3.846 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.382 -0.980 -3.566 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.203 2.274 -5.205 1.00 0.00 H new ATOM 0 HE2 MET A 51 11.391 1.566 -3.583 1.00 0.00 H new ATOM 0 HE3 MET A 51 12.500 2.845 -4.130 1.00 0.00 H new ATOM 847 N ALA A 52 14.812 2.522 -0.289 1.00 0.00 N ATOM 848 CA ALA A 52 14.616 3.628 0.642 1.00 0.00 C ATOM 849 C ALA A 52 15.245 4.912 0.115 1.00 0.00 C ATOM 850 O ALA A 52 14.639 5.983 0.175 1.00 0.00 O ATOM 851 CB ALA A 52 15.189 3.278 2.006 1.00 0.00 C ATOM 0 H ALA A 52 15.269 1.705 0.117 1.00 0.00 H new ATOM 0 HA ALA A 52 13.544 3.797 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 52 15.035 4.113 2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.687 2.392 2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 52 16.256 3.078 1.912 1.00 0.00 H new ATOM 857 N ALA A 53 16.462 4.799 -0.404 1.00 0.00 N ATOM 858 CA ALA A 53 17.172 5.952 -0.945 1.00 0.00 C ATOM 859 C ALA A 53 16.701 6.284 -2.360 1.00 0.00 C ATOM 860 O ALA A 53 17.175 7.244 -2.967 1.00 0.00 O ATOM 861 CB ALA A 53 18.672 5.699 -0.933 1.00 0.00 C ATOM 0 H ALA A 53 16.978 3.921 -0.462 1.00 0.00 H new ATOM 0 HA ALA A 53 16.951 6.810 -0.310 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.191 6.567 -1.339 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.003 5.525 0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.898 4.824 -1.542 1.00 0.00 H new ATOM 867 N SER A 54 15.770 5.488 -2.882 1.00 0.00 N ATOM 868 CA SER A 54 15.244 5.705 -4.226 1.00 0.00 C ATOM 869 C SER A 54 13.786 6.159 -4.184 1.00 0.00 C ATOM 870 O SER A 54 13.270 6.698 -5.162 1.00 0.00 O ATOM 871 CB SER A 54 15.368 4.425 -5.055 1.00 0.00 C ATOM 872 OG SER A 54 15.865 4.704 -6.353 1.00 0.00 O ATOM 0 H SER A 54 15.366 4.688 -2.395 1.00 0.00 H new ATOM 0 HA SER A 54 15.833 6.495 -4.693 1.00 0.00 H new ATOM 0 HB2 SER A 54 16.033 3.724 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.394 3.942 -5.131 1.00 0.00 H new ATOM 0 HG SER A 54 15.937 3.870 -6.862 1.00 0.00 H new ATOM 878 N LEU A 55 13.126 5.938 -3.050 1.00 0.00 N ATOM 879 CA LEU A 55 11.727 6.327 -2.897 1.00 0.00 C ATOM 880 C LEU A 55 11.593 7.806 -2.527 1.00 0.00 C ATOM 881 O LEU A 55 10.487 8.291 -2.290 1.00 0.00 O ATOM 882 CB LEU A 55 11.048 5.456 -1.834 1.00 0.00 C ATOM 883 CG LEU A 55 11.393 5.802 -0.383 1.00 0.00 C ATOM 884 CD1 LEU A 55 10.519 6.943 0.116 1.00 0.00 C ATOM 885 CD2 LEU A 55 11.231 4.580 0.506 1.00 0.00 C ATOM 0 H LEU A 55 13.535 5.494 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 55 11.233 6.175 -3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 55 9.968 5.533 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.317 4.415 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 55 12.434 6.124 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.778 7.175 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 55 10.681 7.824 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.471 6.649 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.480 4.842 1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.199 4.231 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.897 3.789 0.162 1.00 0.00 H new ATOM 897 N LEU A 56 12.717 8.519 -2.477 1.00 0.00 N ATOM 898 CA LEU A 56 12.702 9.936 -2.133 1.00 0.00 C ATOM 899 C LEU A 56 13.592 10.749 -3.072 1.00 0.00 C ATOM 900 O LEU A 56 13.919 11.901 -2.781 1.00 0.00 O ATOM 901 CB LEU A 56 13.157 10.132 -0.686 1.00 0.00 C ATOM 902 CG LEU A 56 14.318 9.239 -0.245 1.00 0.00 C ATOM 903 CD1 LEU A 56 15.641 9.796 -0.749 1.00 0.00 C ATOM 904 CD2 LEU A 56 14.336 9.100 1.269 1.00 0.00 C ATOM 0 H LEU A 56 13.644 8.139 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 56 11.678 10.294 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.448 11.174 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.308 9.950 -0.027 1.00 0.00 H new ATOM 0 HG LEU A 56 14.177 8.249 -0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 56 16.455 9.148 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.625 9.843 -1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.792 10.797 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.168 8.462 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.453 10.084 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 56 13.399 8.655 1.605 1.00 0.00 H new ATOM 916 N ASN A 57 13.981 10.154 -4.196 1.00 0.00 N ATOM 917 CA ASN A 57 14.829 10.840 -5.164 1.00 0.00 C ATOM 918 C ASN A 57 14.052 11.945 -5.879 1.00 0.00 C ATOM 919 O ASN A 57 12.870 11.783 -6.186 1.00 0.00 O ATOM 920 CB ASN A 57 15.383 9.845 -6.187 1.00 0.00 C ATOM 921 CG ASN A 57 16.776 9.361 -5.828 1.00 0.00 C ATOM 922 OD1 ASN A 57 16.937 8.337 -5.167 1.00 0.00 O ATOM 923 ND2 ASN A 57 17.791 10.098 -6.263 1.00 0.00 N ATOM 0 H ASN A 57 13.724 9.202 -4.458 1.00 0.00 H new ATOM 0 HA ASN A 57 15.660 11.294 -4.625 1.00 0.00 H new ATOM 0 HB2 ASN A 57 14.711 8.990 -6.258 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.407 10.314 -7.170 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.750 9.821 -6.051 1.00 0.00 H new ATOM 0 HD22 ASN A 57 17.612 10.941 -6.809 1.00 0.00 H new ATOM 930 N PRO A 58 14.705 13.088 -6.154 1.00 0.00 N ATOM 931 CA PRO A 58 14.064 14.220 -6.835 1.00 0.00 C ATOM 932 C PRO A 58 13.736 13.918 -8.296 1.00 0.00 C ATOM 933 O PRO A 58 13.031 14.686 -8.952 1.00 0.00 O ATOM 934 CB PRO A 58 15.111 15.333 -6.743 1.00 0.00 C ATOM 935 CG PRO A 58 16.411 14.620 -6.604 1.00 0.00 C ATOM 936 CD PRO A 58 16.115 13.370 -5.825 1.00 0.00 C ATOM 0 HA PRO A 58 13.108 14.475 -6.378 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.098 15.963 -7.632 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.923 15.984 -5.889 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.832 14.381 -7.581 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.142 15.239 -6.085 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.768 12.549 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.255 13.521 -4.755 1.00 0.00 H new ATOM 944 N TYR A 59 14.249 12.801 -8.802 1.00 0.00 N ATOM 945 CA TYR A 59 14.006 12.406 -10.186 1.00 0.00 C ATOM 946 C TYR A 59 12.707 11.616 -10.310 1.00 0.00 C ATOM 947 O TYR A 59 12.081 11.597 -11.369 1.00 0.00 O ATOM 948 CB TYR A 59 15.176 11.574 -10.712 1.00 0.00 C ATOM 949 CG TYR A 59 16.531 12.157 -10.379 1.00 0.00 C ATOM 950 CD1 TYR A 59 17.106 11.961 -9.130 1.00 0.00 C ATOM 951 CD2 TYR A 59 17.235 12.905 -11.315 1.00 0.00 C ATOM 952 CE1 TYR A 59 18.343 12.495 -8.822 1.00 0.00 C ATOM 953 CE2 TYR A 59 18.473 13.441 -11.014 1.00 0.00 C ATOM 954 CZ TYR A 59 19.021 13.233 -9.766 1.00 0.00 C ATOM 955 OH TYR A 59 20.254 13.766 -9.463 1.00 0.00 O ATOM 0 H TYR A 59 14.835 12.153 -8.275 1.00 0.00 H new ATOM 0 HA TYR A 59 13.914 13.312 -10.785 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.111 10.568 -10.298 1.00 0.00 H new ATOM 0 HB3 TYR A 59 15.086 11.480 -11.794 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.578 11.382 -8.387 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.808 13.070 -12.293 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.776 12.334 -7.846 1.00 0.00 H new ATOM 0 HE2 TYR A 59 19.008 14.020 -11.752 1.00 0.00 H new ATOM 0 HH TYR A 59 20.597 14.257 -10.238 1.00 0.00 H new ATOM 965 N VAL A 60 12.305 10.967 -9.221 1.00 0.00 N ATOM 966 CA VAL A 60 11.081 10.178 -9.210 1.00 0.00 C ATOM 967 C VAL A 60 9.880 11.042 -8.838 1.00 0.00 C ATOM 968 O VAL A 60 9.193 10.782 -7.849 1.00 0.00 O ATOM 969 CB VAL A 60 11.181 8.998 -8.225 1.00 0.00 C ATOM 970 CG1 VAL A 60 12.235 8.004 -8.687 1.00 0.00 C ATOM 971 CG2 VAL A 60 11.488 9.498 -6.821 1.00 0.00 C ATOM 0 H VAL A 60 12.811 10.973 -8.335 1.00 0.00 H new ATOM 0 HA VAL A 60 10.945 9.785 -10.217 1.00 0.00 H new ATOM 0 HB VAL A 60 10.219 8.487 -8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.291 7.178 -7.979 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.967 7.620 -9.671 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.204 8.500 -8.743 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.555 8.650 -6.139 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.436 10.036 -6.825 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.693 10.167 -6.491 1.00 0.00 H new ATOM 981 N LYS A 61 9.634 12.075 -9.638 1.00 0.00 N ATOM 982 CA LYS A 61 8.518 12.987 -9.400 1.00 0.00 C ATOM 983 C LYS A 61 7.230 12.222 -9.108 1.00 0.00 C ATOM 984 O LYS A 61 7.093 11.057 -9.477 1.00 0.00 O ATOM 985 CB LYS A 61 8.316 13.902 -10.610 1.00 0.00 C ATOM 986 CG LYS A 61 9.141 15.177 -10.554 1.00 0.00 C ATOM 987 CD LYS A 61 8.995 15.992 -11.829 1.00 0.00 C ATOM 988 CE LYS A 61 9.158 17.479 -11.561 1.00 0.00 C ATOM 989 NZ LYS A 61 9.870 18.169 -12.672 1.00 0.00 N ATOM 0 H LYS A 61 10.194 12.303 -10.460 1.00 0.00 H new ATOM 0 HA LYS A 61 8.761 13.592 -8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.572 13.353 -11.516 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.261 14.165 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.828 15.777 -9.700 1.00 0.00 H new ATOM 0 HG3 LYS A 61 10.190 14.926 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.740 15.668 -12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.016 15.806 -12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.177 17.932 -11.422 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.710 17.622 -10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.961 19.181 -12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.816 17.754 -12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.331 18.055 -13.554 1.00 0.00 H new ATOM 1003 N ARG A 62 6.292 12.886 -8.440 1.00 0.00 N ATOM 1004 CA ARG A 62 5.017 12.268 -8.094 1.00 0.00 C ATOM 1005 C ARG A 62 4.274 11.800 -9.342 1.00 0.00 C ATOM 1006 O ARG A 62 3.475 10.865 -9.284 1.00 0.00 O ATOM 1007 CB ARG A 62 4.149 13.253 -7.309 1.00 0.00 C ATOM 1008 CG ARG A 62 2.815 12.671 -6.867 1.00 0.00 C ATOM 1009 CD ARG A 62 1.661 13.230 -7.683 1.00 0.00 C ATOM 1010 NE ARG A 62 1.233 12.307 -8.730 1.00 0.00 N ATOM 1011 CZ ARG A 62 0.293 12.590 -9.631 1.00 0.00 C ATOM 1012 NH1 ARG A 62 -0.318 13.768 -9.614 1.00 0.00 N ATOM 1013 NH2 ARG A 62 -0.037 11.693 -10.549 1.00 0.00 N ATOM 0 H ARG A 62 6.391 13.852 -8.128 1.00 0.00 H new ATOM 0 HA ARG A 62 5.223 11.396 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG A 62 4.699 13.588 -6.430 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.966 14.133 -7.925 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.840 11.586 -6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.654 12.890 -5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.821 13.444 -7.023 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.961 14.176 -8.134 1.00 0.00 H new ATOM 0 HE ARG A 62 1.680 11.391 -8.774 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -0.069 14.462 -8.909 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.037 13.980 -10.306 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.429 10.786 -10.566 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.757 11.910 -11.239 1.00 0.00 H new ATOM 1027 N SER A 63 4.535 12.458 -10.468 1.00 0.00 N ATOM 1028 CA SER A 63 3.883 12.105 -11.723 1.00 0.00 C ATOM 1029 C SER A 63 4.608 10.954 -12.414 1.00 0.00 C ATOM 1030 O SER A 63 3.987 9.970 -12.813 1.00 0.00 O ATOM 1031 CB SER A 63 3.827 13.319 -12.653 1.00 0.00 C ATOM 1032 OG SER A 63 4.903 14.205 -12.400 1.00 0.00 O ATOM 0 H SER A 63 5.191 13.236 -10.536 1.00 0.00 H new ATOM 0 HA SER A 63 2.867 11.783 -11.494 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.861 12.988 -13.691 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.881 13.843 -12.516 1.00 0.00 H new ATOM 0 HG SER A 63 4.846 14.971 -13.008 1.00 0.00 H new ATOM 1038 N VAL A 64 5.921 11.079 -12.552 1.00 0.00 N ATOM 1039 CA VAL A 64 6.719 10.041 -13.193 1.00 0.00 C ATOM 1040 C VAL A 64 6.822 8.808 -12.303 1.00 0.00 C ATOM 1041 O VAL A 64 7.024 7.695 -12.790 1.00 0.00 O ATOM 1042 CB VAL A 64 8.137 10.542 -13.526 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.883 9.517 -14.364 1.00 0.00 C ATOM 1044 CG2 VAL A 64 8.073 11.883 -14.242 1.00 0.00 C ATOM 0 H VAL A 64 6.455 11.886 -12.230 1.00 0.00 H new ATOM 0 HA VAL A 64 6.212 9.778 -14.122 1.00 0.00 H new ATOM 0 HB VAL A 64 8.683 10.679 -12.593 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.883 9.889 -14.589 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.960 8.581 -13.810 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.342 9.345 -15.294 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.083 12.222 -14.470 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.509 11.774 -15.168 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.580 12.614 -13.601 1.00 0.00 H new ATOM 1054 N LYS A 65 6.679 9.011 -10.998 1.00 0.00 N ATOM 1055 CA LYS A 65 6.751 7.915 -10.043 1.00 0.00 C ATOM 1056 C LYS A 65 5.431 7.150 -9.992 1.00 0.00 C ATOM 1057 O LYS A 65 5.401 5.976 -9.623 1.00 0.00 O ATOM 1058 CB LYS A 65 7.098 8.447 -8.650 1.00 0.00 C ATOM 1059 CG LYS A 65 7.201 7.363 -7.590 1.00 0.00 C ATOM 1060 CD LYS A 65 8.535 6.636 -7.662 1.00 0.00 C ATOM 1061 CE LYS A 65 8.422 5.212 -7.142 1.00 0.00 C ATOM 1062 NZ LYS A 65 8.237 4.231 -8.247 1.00 0.00 N ATOM 0 H LYS A 65 6.512 9.926 -10.578 1.00 0.00 H new ATOM 0 HA LYS A 65 7.535 7.232 -10.370 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.045 8.984 -8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.339 9.168 -8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.080 7.807 -6.602 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.389 6.648 -7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.887 6.621 -8.693 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.279 7.179 -7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.320 4.959 -6.578 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.582 5.143 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.463 3.580 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.004 4.737 -9.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.115 3.690 -8.382 1.00 0.00 H new ATOM 1076 N VAL A 66 4.341 7.819 -10.364 1.00 0.00 N ATOM 1077 CA VAL A 66 3.027 7.189 -10.354 1.00 0.00 C ATOM 1078 C VAL A 66 2.835 6.283 -11.568 1.00 0.00 C ATOM 1079 O VAL A 66 2.021 5.360 -11.539 1.00 0.00 O ATOM 1080 CB VAL A 66 1.892 8.236 -10.300 1.00 0.00 C ATOM 1081 CG1 VAL A 66 1.752 8.975 -11.626 1.00 0.00 C ATOM 1082 CG2 VAL A 66 0.579 7.575 -9.907 1.00 0.00 C ATOM 0 H VAL A 66 4.344 8.791 -10.674 1.00 0.00 H new ATOM 0 HA VAL A 66 2.978 6.581 -9.451 1.00 0.00 H new ATOM 0 HB VAL A 66 2.151 8.973 -9.540 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.945 9.704 -11.553 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.685 9.489 -11.856 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.526 8.261 -12.418 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.211 8.326 -9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.322 6.811 -10.641 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.683 7.114 -8.925 1.00 0.00 H new ATOM 1092 N LYS A 67 3.591 6.543 -12.630 1.00 0.00 N ATOM 1093 CA LYS A 67 3.500 5.735 -13.838 1.00 0.00 C ATOM 1094 C LYS A 67 4.415 4.521 -13.737 1.00 0.00 C ATOM 1095 O LYS A 67 4.170 3.491 -14.365 1.00 0.00 O ATOM 1096 CB LYS A 67 3.863 6.568 -15.069 1.00 0.00 C ATOM 1097 CG LYS A 67 3.690 5.821 -16.381 1.00 0.00 C ATOM 1098 CD LYS A 67 4.718 6.261 -17.411 1.00 0.00 C ATOM 1099 CE LYS A 67 4.761 5.309 -18.596 1.00 0.00 C ATOM 1100 NZ LYS A 67 4.857 3.887 -18.164 1.00 0.00 N ATOM 0 H LYS A 67 4.270 7.303 -12.678 1.00 0.00 H new ATOM 0 HA LYS A 67 2.472 5.389 -13.942 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.243 7.465 -15.086 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.898 6.898 -14.982 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.784 4.749 -16.206 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.686 5.994 -16.770 1.00 0.00 H new ATOM 0 HD2 LYS A 67 4.479 7.266 -17.759 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.703 6.310 -16.946 1.00 0.00 H new ATOM 0 HE2 LYS A 67 3.866 5.444 -19.203 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.614 5.555 -19.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 5.250 3.315 -18.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.478 3.818 -17.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.910 3.534 -17.919 1.00 0.00 H new ATOM 1114 N SER A 68 5.466 4.647 -12.933 1.00 0.00 N ATOM 1115 CA SER A 68 6.414 3.559 -12.740 1.00 0.00 C ATOM 1116 C SER A 68 5.878 2.558 -11.722 1.00 0.00 C ATOM 1117 O SER A 68 6.229 1.378 -11.756 1.00 0.00 O ATOM 1118 CB SER A 68 7.764 4.106 -12.276 1.00 0.00 C ATOM 1119 OG SER A 68 7.757 4.370 -10.883 1.00 0.00 O ATOM 0 H SER A 68 5.681 5.493 -12.405 1.00 0.00 H new ATOM 0 HA SER A 68 6.550 3.049 -13.694 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.550 3.388 -12.509 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.996 5.021 -12.821 1.00 0.00 H new ATOM 0 HG SER A 68 6.954 4.882 -10.651 1.00 0.00 H new ATOM 1125 N LEU A 69 5.024 3.031 -10.817 1.00 0.00 N ATOM 1126 CA LEU A 69 4.446 2.168 -9.794 1.00 0.00 C ATOM 1127 C LEU A 69 3.370 1.263 -10.387 1.00 0.00 C ATOM 1128 O LEU A 69 3.105 0.180 -9.868 1.00 0.00 O ATOM 1129 CB LEU A 69 3.870 3.000 -8.638 1.00 0.00 C ATOM 1130 CG LEU A 69 2.804 4.032 -9.016 1.00 0.00 C ATOM 1131 CD1 LEU A 69 1.533 3.357 -9.509 1.00 0.00 C ATOM 1132 CD2 LEU A 69 2.499 4.925 -7.823 1.00 0.00 C ATOM 0 H LEU A 69 4.719 4.003 -10.772 1.00 0.00 H new ATOM 0 HA LEU A 69 5.243 1.538 -9.400 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.441 2.317 -7.904 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.692 3.520 -8.147 1.00 0.00 H new ATOM 0 HG LEU A 69 3.195 4.643 -9.830 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.795 4.116 -9.770 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.759 2.754 -10.388 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.133 2.717 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.740 5.656 -8.101 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.131 4.316 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.407 5.444 -7.515 1.00 0.00 H new ATOM 1144 N SER A 70 2.752 1.714 -11.472 1.00 0.00 N ATOM 1145 CA SER A 70 1.702 0.947 -12.131 1.00 0.00 C ATOM 1146 C SER A 70 2.296 -0.098 -13.068 1.00 0.00 C ATOM 1147 O SER A 70 1.712 -1.160 -13.277 1.00 0.00 O ATOM 1148 CB SER A 70 0.768 1.876 -12.907 1.00 0.00 C ATOM 1149 OG SER A 70 -0.503 1.281 -13.096 1.00 0.00 O ATOM 0 H SER A 70 2.960 2.609 -11.915 1.00 0.00 H new ATOM 0 HA SER A 70 1.128 0.432 -11.361 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.656 2.817 -12.368 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.209 2.114 -13.875 1.00 0.00 H new ATOM 0 HG SER A 70 -1.081 1.896 -13.593 1.00 0.00 H new ATOM 1155 N ASP A 71 3.462 0.205 -13.625 1.00 0.00 N ATOM 1156 CA ASP A 71 4.130 -0.720 -14.528 1.00 0.00 C ATOM 1157 C ASP A 71 4.989 -1.692 -13.737 1.00 0.00 C ATOM 1158 O ASP A 71 5.103 -2.866 -14.089 1.00 0.00 O ATOM 1159 CB ASP A 71 4.986 0.038 -15.544 1.00 0.00 C ATOM 1160 CG ASP A 71 5.595 -0.878 -16.587 1.00 0.00 C ATOM 1161 OD1 ASP A 71 4.828 -1.579 -17.281 1.00 0.00 O ATOM 1162 OD2 ASP A 71 6.837 -0.895 -16.710 1.00 0.00 O ATOM 0 H ASP A 71 3.962 1.080 -13.468 1.00 0.00 H new ATOM 0 HA ASP A 71 3.370 -1.281 -15.072 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.374 0.792 -16.040 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.782 0.568 -15.021 1.00 0.00 H new ATOM 1167 N MET A 72 5.572 -1.201 -12.651 1.00 0.00 N ATOM 1168 CA MET A 72 6.398 -2.038 -11.798 1.00 0.00 C ATOM 1169 C MET A 72 5.516 -2.962 -10.971 1.00 0.00 C ATOM 1170 O MET A 72 5.953 -4.033 -10.550 1.00 0.00 O ATOM 1171 CB MET A 72 7.290 -1.183 -10.890 1.00 0.00 C ATOM 1172 CG MET A 72 6.602 -0.695 -9.623 1.00 0.00 C ATOM 1173 SD MET A 72 7.586 0.515 -8.720 1.00 0.00 S ATOM 1174 CE MET A 72 6.514 0.850 -7.325 1.00 0.00 C ATOM 0 H MET A 72 5.488 -0.232 -12.343 1.00 0.00 H new ATOM 0 HA MET A 72 7.049 -2.643 -12.429 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.170 -1.764 -10.612 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.643 -0.320 -11.454 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.640 -0.253 -9.884 1.00 0.00 H new ATOM 0 HG3 MET A 72 6.396 -1.547 -8.975 1.00 0.00 H new ATOM 0 HE1 MET A 72 6.195 1.892 -7.353 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.640 0.201 -7.374 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.054 0.661 -6.397 1.00 0.00 H new ATOM 1184 N THR A 73 4.265 -2.553 -10.747 1.00 0.00 N ATOM 1185 CA THR A 73 3.351 -3.378 -9.982 1.00 0.00 C ATOM 1186 C THR A 73 3.089 -4.679 -10.715 1.00 0.00 C ATOM 1187 O THR A 73 2.888 -5.721 -10.090 1.00 0.00 O ATOM 1188 CB THR A 73 2.032 -2.668 -9.704 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.258 -3.454 -8.831 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.189 -2.424 -10.925 1.00 0.00 C ATOM 0 H THR A 73 3.875 -1.672 -11.081 1.00 0.00 H new ATOM 0 HA THR A 73 3.824 -3.583 -9.022 1.00 0.00 H new ATOM 0 HB THR A 73 2.307 -1.700 -9.284 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.760 -3.616 -8.005 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.269 -1.915 -10.636 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.741 -1.803 -11.630 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.944 -3.377 -11.394 1.00 0.00 H new ATOM 1198 N ALA A 74 3.116 -4.626 -12.046 1.00 0.00 N ATOM 1199 CA ALA A 74 2.905 -5.825 -12.841 1.00 0.00 C ATOM 1200 C ALA A 74 3.823 -6.936 -12.343 1.00 0.00 C ATOM 1201 O ALA A 74 3.507 -8.121 -12.454 1.00 0.00 O ATOM 1202 CB ALA A 74 3.153 -5.542 -14.315 1.00 0.00 C ATOM 0 H ALA A 74 3.280 -3.776 -12.586 1.00 0.00 H new ATOM 0 HA ALA A 74 1.869 -6.146 -12.732 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.990 -6.452 -14.893 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.467 -4.767 -14.657 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.180 -5.204 -14.453 1.00 0.00 H new ATOM 1208 N LYS A 75 4.958 -6.532 -11.772 1.00 0.00 N ATOM 1209 CA LYS A 75 5.922 -7.476 -11.231 1.00 0.00 C ATOM 1210 C LYS A 75 5.839 -7.518 -9.704 1.00 0.00 C ATOM 1211 O LYS A 75 6.275 -8.486 -9.081 1.00 0.00 O ATOM 1212 CB LYS A 75 7.338 -7.100 -11.671 1.00 0.00 C ATOM 1213 CG LYS A 75 8.412 -8.032 -11.133 1.00 0.00 C ATOM 1214 CD LYS A 75 9.550 -8.203 -12.125 1.00 0.00 C ATOM 1215 CE LYS A 75 10.316 -6.904 -12.322 1.00 0.00 C ATOM 1216 NZ LYS A 75 10.820 -6.763 -13.716 1.00 0.00 N ATOM 0 H LYS A 75 5.228 -5.553 -11.675 1.00 0.00 H new ATOM 0 HA LYS A 75 5.684 -8.467 -11.617 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.382 -7.099 -12.760 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.553 -6.083 -11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.802 -7.636 -10.195 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.973 -9.005 -10.910 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.230 -8.978 -11.771 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.152 -8.541 -13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.668 -6.061 -12.083 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.155 -6.868 -11.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.336 -5.865 -13.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.458 -7.554 -13.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.018 -6.771 -14.378 1.00 0.00 H new ATOM 1230 N GLU A 76 5.273 -6.469 -9.106 1.00 0.00 N ATOM 1231 CA GLU A 76 5.135 -6.404 -7.659 1.00 0.00 C ATOM 1232 C GLU A 76 4.079 -7.389 -7.176 1.00 0.00 C ATOM 1233 O GLU A 76 4.389 -8.343 -6.463 1.00 0.00 O ATOM 1234 CB GLU A 76 4.768 -4.984 -7.226 1.00 0.00 C ATOM 1235 CG GLU A 76 5.142 -4.667 -5.788 1.00 0.00 C ATOM 1236 CD GLU A 76 6.598 -4.962 -5.486 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.401 -5.029 -6.440 1.00 0.00 O ATOM 1238 OE2 GLU A 76 6.935 -5.126 -4.294 1.00 0.00 O ATOM 0 H GLU A 76 4.905 -5.658 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 76 6.091 -6.674 -7.210 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.264 -4.273 -7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.695 -4.841 -7.353 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.939 -3.615 -5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.510 -5.248 -5.116 1.00 0.00 H new ATOM 1245 N LYS A 77 2.829 -7.154 -7.581 1.00 0.00 N ATOM 1246 CA LYS A 77 1.707 -8.017 -7.202 1.00 0.00 C ATOM 1247 C LYS A 77 0.375 -7.282 -7.339 1.00 0.00 C ATOM 1248 O LYS A 77 -0.640 -7.881 -7.697 1.00 0.00 O ATOM 1249 CB LYS A 77 1.862 -8.525 -5.763 1.00 0.00 C ATOM 1250 CG LYS A 77 2.335 -9.967 -5.676 1.00 0.00 C ATOM 1251 CD LYS A 77 3.384 -10.146 -4.590 1.00 0.00 C ATOM 1252 CE LYS A 77 4.391 -11.225 -4.961 1.00 0.00 C ATOM 1253 NZ LYS A 77 3.738 -12.547 -5.169 1.00 0.00 N ATOM 0 H LYS A 77 2.567 -6.368 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 77 1.713 -8.869 -7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.570 -7.886 -5.235 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.905 -8.433 -5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.485 -10.618 -5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.749 -10.274 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.904 -9.202 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.896 -10.409 -3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.917 -10.933 -5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.139 -11.310 -4.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.325 -13.295 -4.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.801 -12.546 -4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.631 -12.725 -6.188 1.00 0.00 H new ATOM 1267 N PHE A 78 0.379 -5.985 -7.039 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.833 -5.172 -7.114 1.00 0.00 C ATOM 1269 C PHE A 78 -1.558 -5.367 -8.414 1.00 0.00 C ATOM 1270 O PHE A 78 -1.030 -5.951 -9.361 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.517 -3.690 -6.958 1.00 0.00 C ATOM 1272 CG PHE A 78 0.546 -3.442 -5.957 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.410 -3.939 -4.682 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.687 -2.742 -6.292 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.397 -3.738 -3.748 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.682 -2.541 -5.367 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.538 -3.040 -4.088 1.00 0.00 C ATOM 0 H PHE A 78 1.210 -5.474 -6.741 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.471 -5.502 -6.294 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.207 -3.284 -7.921 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.421 -3.157 -6.663 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.479 -4.491 -4.413 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.799 -2.348 -7.291 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.280 -4.126 -2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.573 -1.995 -5.639 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.316 -2.885 -3.355 1.00 0.00 H new ATOM 1287 N SER A 79 -2.766 -4.831 -8.453 1.00 0.00 N ATOM 1288 CA SER A 79 -3.593 -4.895 -9.645 1.00 0.00 C ATOM 1289 C SER A 79 -5.076 -4.765 -9.324 1.00 0.00 C ATOM 1290 O SER A 79 -5.799 -4.043 -10.009 1.00 0.00 O ATOM 1291 CB SER A 79 -3.354 -6.192 -10.427 1.00 0.00 C ATOM 1292 OG SER A 79 -2.390 -6.001 -11.449 1.00 0.00 O ATOM 0 H SER A 79 -3.198 -4.344 -7.668 1.00 0.00 H new ATOM 0 HA SER A 79 -3.299 -4.046 -10.263 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.017 -6.974 -9.746 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.291 -6.534 -10.866 1.00 0.00 H new ATOM 0 HG SER A 79 -1.501 -5.907 -11.047 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.576 -5.514 -8.330 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.982 -5.512 -7.990 1.00 0.00 C ATOM 1300 C PRO A 80 -7.359 -4.681 -6.769 1.00 0.00 C ATOM 1301 O PRO A 80 -8.031 -3.659 -6.904 1.00 0.00 O ATOM 1302 CB PRO A 80 -7.230 -6.995 -7.733 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.916 -7.530 -7.223 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.854 -6.486 -7.513 1.00 0.00 C ATOM 0 HA PRO A 80 -7.583 -5.054 -8.775 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -8.025 -7.141 -7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.537 -7.507 -8.645 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.973 -7.731 -6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -5.670 -8.473 -7.712 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.466 -6.038 -6.598 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.003 -6.911 -8.046 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.947 -5.107 -5.578 1.00 0.00 N ATOM 1313 CA LEU A 81 -7.286 -4.364 -4.378 1.00 0.00 C ATOM 1314 C LEU A 81 -6.151 -3.439 -4.005 1.00 0.00 C ATOM 1315 O LEU A 81 -6.192 -2.753 -2.984 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.598 -5.310 -3.225 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.053 -5.781 -3.155 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.988 -4.599 -2.933 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.431 -6.529 -4.425 1.00 0.00 C ATOM 0 H LEU A 81 -6.389 -5.947 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.177 -3.769 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.952 -6.184 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.346 -4.813 -2.288 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.154 -6.462 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.018 -4.953 -2.886 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.732 -4.103 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.884 -3.893 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.468 -6.857 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.313 -5.869 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -8.783 -7.397 -4.542 1.00 0.00 H new ATOM 1331 N THR A 82 -5.138 -3.429 -4.852 1.00 0.00 N ATOM 1332 CA THR A 82 -3.982 -2.599 -4.639 1.00 0.00 C ATOM 1333 C THR A 82 -3.768 -1.656 -5.813 1.00 0.00 C ATOM 1334 O THR A 82 -2.876 -0.814 -5.779 1.00 0.00 O ATOM 1335 CB THR A 82 -2.756 -3.467 -4.416 1.00 0.00 C ATOM 1336 OG1 THR A 82 -3.121 -4.831 -4.284 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.995 -3.071 -3.170 1.00 0.00 C ATOM 0 H THR A 82 -5.100 -3.995 -5.700 1.00 0.00 H new ATOM 0 HA THR A 82 -4.148 -1.991 -3.750 1.00 0.00 H new ATOM 0 HB THR A 82 -2.119 -3.321 -5.289 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.444 -4.997 -3.374 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.127 -3.720 -3.052 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.665 -2.036 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.644 -3.172 -2.300 1.00 0.00 H new ATOM 1345 N SER A 83 -4.602 -1.774 -6.848 1.00 0.00 N ATOM 1346 CA SER A 83 -4.475 -0.896 -7.998 1.00 0.00 C ATOM 1347 C SER A 83 -5.239 0.405 -7.767 1.00 0.00 C ATOM 1348 O SER A 83 -5.655 1.079 -8.710 1.00 0.00 O ATOM 1349 CB SER A 83 -4.986 -1.573 -9.264 1.00 0.00 C ATOM 1350 OG SER A 83 -3.917 -2.087 -10.036 1.00 0.00 O ATOM 0 H SER A 83 -5.357 -2.457 -6.908 1.00 0.00 H new ATOM 0 HA SER A 83 -3.416 -0.671 -8.127 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.667 -2.381 -8.998 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.556 -0.858 -9.857 1.00 0.00 H new ATOM 0 HG SER A 83 -4.253 -2.373 -10.911 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.397 0.745 -6.501 1.00 0.00 N ATOM 1357 CA ASN A 84 -6.080 1.957 -6.085 1.00 0.00 C ATOM 1358 C ASN A 84 -5.294 2.525 -4.928 1.00 0.00 C ATOM 1359 O ASN A 84 -4.954 3.708 -4.900 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.521 1.659 -5.665 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.506 1.855 -6.800 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -8.261 2.633 -7.722 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -9.629 1.148 -6.738 1.00 0.00 N ATOM 0 H ASN A 84 -5.051 0.182 -5.724 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.134 2.670 -6.908 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.586 0.633 -5.304 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.796 2.308 -4.833 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -10.330 1.238 -7.474 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.790 0.515 -5.955 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.950 1.635 -4.005 1.00 0.00 N ATOM 1371 CA LEU A 85 -4.132 1.997 -2.875 1.00 0.00 C ATOM 1372 C LEU A 85 -2.740 2.350 -3.391 1.00 0.00 C ATOM 1373 O LEU A 85 -1.966 3.018 -2.707 1.00 0.00 O ATOM 1374 CB LEU A 85 -4.057 0.837 -1.873 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.967 0.964 -0.804 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.443 0.378 0.516 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -1.689 0.280 -1.264 1.00 0.00 C ATOM 0 H LEU A 85 -5.231 0.655 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.566 2.852 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.022 0.746 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.895 -0.089 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.755 2.022 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.656 0.477 1.263 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.331 0.913 0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.684 -0.676 0.380 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.925 0.380 -0.493 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.887 -0.777 -1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.338 0.746 -2.185 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.434 1.897 -4.617 1.00 0.00 N ATOM 1390 CA ILE A 86 -1.145 2.173 -5.222 1.00 0.00 C ATOM 1391 C ILE A 86 -1.023 3.654 -5.573 1.00 0.00 C ATOM 1392 O ILE A 86 -0.096 4.334 -5.133 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.905 1.296 -6.483 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.125 0.208 -6.179 1.00 0.00 C ATOM 1395 CG2 ILE A 86 -0.452 2.126 -7.679 1.00 0.00 C ATOM 1396 CD1 ILE A 86 -0.283 -0.713 -5.053 1.00 0.00 C ATOM 0 H ILE A 86 -3.065 1.343 -5.196 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.378 1.920 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.856 0.834 -6.746 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.292 -0.384 -7.079 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.075 0.679 -5.926 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.296 1.472 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.216 2.865 -7.919 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.481 2.635 -7.436 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.495 -1.459 -4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.422 -0.133 -4.141 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.217 -1.212 -5.312 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.970 4.147 -6.364 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.973 5.546 -6.769 1.00 0.00 C ATOM 1410 C ASN A 87 -2.241 6.450 -5.573 1.00 0.00 C ATOM 1411 O ASN A 87 -1.765 7.583 -5.516 1.00 0.00 O ATOM 1412 CB ASN A 87 -3.027 5.785 -7.852 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.993 7.204 -8.388 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -2.040 7.946 -8.153 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -4.037 7.587 -9.114 1.00 0.00 N ATOM 0 H ASN A 87 -2.745 3.598 -6.737 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.990 5.786 -7.174 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.866 5.086 -8.672 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -4.016 5.577 -7.445 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.070 8.530 -9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.806 6.938 -9.284 1.00 0.00 H new ATOM 1422 N LEU A 88 -3.004 5.936 -4.614 1.00 0.00 N ATOM 1423 CA LEU A 88 -3.336 6.693 -3.415 1.00 0.00 C ATOM 1424 C LEU A 88 -2.123 6.824 -2.501 1.00 0.00 C ATOM 1425 O LEU A 88 -1.990 7.807 -1.772 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.488 6.021 -2.663 1.00 0.00 C ATOM 1427 CG LEU A 88 -5.490 6.982 -2.022 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -6.886 6.378 -2.027 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -5.062 7.327 -0.603 1.00 0.00 C ATOM 0 H LEU A 88 -3.404 4.998 -4.645 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.646 7.692 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.023 5.371 -3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.070 5.383 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.512 7.901 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.586 7.076 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.193 6.180 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.881 5.445 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.786 8.012 -0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.013 6.416 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.080 7.800 -0.624 1.00 0.00 H new ATOM 1441 N LEU A 89 -1.238 5.832 -2.543 1.00 0.00 N ATOM 1442 CA LEU A 89 -0.041 5.857 -1.714 1.00 0.00 C ATOM 1443 C LEU A 89 1.031 6.747 -2.334 1.00 0.00 C ATOM 1444 O LEU A 89 1.848 7.337 -1.628 1.00 0.00 O ATOM 1445 CB LEU A 89 0.498 4.441 -1.512 1.00 0.00 C ATOM 1446 CG LEU A 89 0.250 3.859 -0.122 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.308 2.340 -0.158 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.264 4.412 0.868 1.00 0.00 C ATOM 0 H LEU A 89 -1.327 5.008 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.310 6.272 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.043 3.784 -2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.571 4.444 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.748 4.152 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.129 1.945 0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.455 1.963 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.292 2.022 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.077 3.989 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.270 4.146 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.173 5.497 0.915 1.00 0.00 H new ATOM 1460 N ALA A 90 1.018 6.841 -3.658 1.00 0.00 N ATOM 1461 CA ALA A 90 1.986 7.662 -4.374 1.00 0.00 C ATOM 1462 C ALA A 90 1.392 9.015 -4.764 1.00 0.00 C ATOM 1463 O ALA A 90 2.014 9.784 -5.496 1.00 0.00 O ATOM 1464 CB ALA A 90 2.485 6.930 -5.610 1.00 0.00 C ATOM 0 H ALA A 90 0.348 6.359 -4.257 1.00 0.00 H new ATOM 0 HA ALA A 90 2.827 7.847 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.207 7.554 -6.136 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.961 5.996 -5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.644 6.714 -6.269 1.00 0.00 H new ATOM 1470 N GLU A 91 0.188 9.303 -4.272 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.476 10.567 -4.576 1.00 0.00 C ATOM 1472 C GLU A 91 -0.537 11.461 -3.342 1.00 0.00 C ATOM 1473 O GLU A 91 -0.011 12.573 -3.342 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.887 10.312 -5.110 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.666 11.583 -5.409 1.00 0.00 C ATOM 1476 CD GLU A 91 -3.886 11.330 -6.273 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -4.588 10.327 -6.029 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -4.139 12.135 -7.193 1.00 0.00 O ATOM 0 H GLU A 91 -0.345 8.681 -3.664 1.00 0.00 H new ATOM 0 HA GLU A 91 0.106 11.079 -5.343 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.819 9.715 -6.020 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.440 9.720 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.979 12.042 -4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -2.012 12.296 -5.911 1.00 0.00 H new ATOM 1485 N ASN A 92 -1.181 10.965 -2.290 1.00 0.00 N ATOM 1486 CA ASN A 92 -1.311 11.721 -1.050 1.00 0.00 C ATOM 1487 C ASN A 92 0.059 12.049 -0.465 1.00 0.00 C ATOM 1488 O ASN A 92 0.379 13.213 -0.225 1.00 0.00 O ATOM 1489 CB ASN A 92 -2.138 10.932 -0.033 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.880 11.834 0.933 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -2.425 12.074 2.051 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -4.031 12.339 0.505 1.00 0.00 N ATOM 0 H ASN A 92 -1.620 10.045 -2.272 1.00 0.00 H new ATOM 0 HA ASN A 92 -1.822 12.657 -1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.854 10.303 -0.561 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -1.481 10.266 0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -4.576 12.953 1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.371 12.113 -0.430 1.00 0.00 H new ATOM 1499 N GLY A 93 0.865 11.015 -0.240 1.00 0.00 N ATOM 1500 CA GLY A 93 2.191 11.217 0.313 1.00 0.00 C ATOM 1501 C GLY A 93 2.471 10.312 1.498 1.00 0.00 C ATOM 1502 O GLY A 93 2.982 10.762 2.524 1.00 0.00 O ATOM 0 H GLY A 93 0.623 10.043 -0.431 1.00 0.00 H new ATOM 0 HA2 GLY A 93 2.936 11.036 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.298 12.257 0.621 1.00 0.00 H new ATOM 1506 N ARG A 94 2.136 9.034 1.357 1.00 0.00 N ATOM 1507 CA ARG A 94 2.355 8.064 2.425 1.00 0.00 C ATOM 1508 C ARG A 94 3.374 7.009 2.002 1.00 0.00 C ATOM 1509 O ARG A 94 3.332 5.871 2.468 1.00 0.00 O ATOM 1510 CB ARG A 94 1.036 7.391 2.809 1.00 0.00 C ATOM 1511 CG ARG A 94 0.920 7.090 4.295 1.00 0.00 C ATOM 1512 CD ARG A 94 0.294 8.250 5.058 1.00 0.00 C ATOM 1513 NE ARG A 94 0.768 9.548 4.581 1.00 0.00 N ATOM 1514 CZ ARG A 94 0.117 10.303 3.697 1.00 0.00 C ATOM 1515 NH1 ARG A 94 -1.033 9.893 3.174 1.00 0.00 N ATOM 1516 NH2 ARG A 94 0.621 11.474 3.330 1.00 0.00 N ATOM 0 H ARG A 94 1.712 8.645 0.515 1.00 0.00 H new ATOM 0 HA ARG A 94 2.749 8.597 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.208 8.035 2.511 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.935 6.461 2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.318 6.193 4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.909 6.878 4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.791 8.203 4.960 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.523 8.150 6.119 1.00 0.00 H new ATOM 0 HE ARG A 94 1.653 9.898 4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.426 8.993 3.448 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.523 10.479 2.498 1.00 0.00 H new ATOM 0 HH21 ARG A 94 1.505 11.795 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.124 12.054 2.653 1.00 0.00 H new ATOM 1530 N LEU A 95 4.294 7.398 1.124 1.00 0.00 N ATOM 1531 CA LEU A 95 5.328 6.484 0.649 1.00 0.00 C ATOM 1532 C LEU A 95 6.591 6.597 1.501 1.00 0.00 C ATOM 1533 O LEU A 95 7.653 6.100 1.127 1.00 0.00 O ATOM 1534 CB LEU A 95 5.651 6.767 -0.825 1.00 0.00 C ATOM 1535 CG LEU A 95 5.315 5.636 -1.804 1.00 0.00 C ATOM 1536 CD1 LEU A 95 3.953 5.034 -1.493 1.00 0.00 C ATOM 1537 CD2 LEU A 95 5.355 6.147 -3.237 1.00 0.00 C ATOM 0 H LEU A 95 4.345 8.337 0.728 1.00 0.00 H new ATOM 0 HA LEU A 95 4.950 5.466 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.110 7.662 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.714 6.993 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 95 6.065 4.854 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.738 4.234 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.956 4.631 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.187 5.805 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.114 5.333 -3.920 1.00 0.00 H new ATOM 0 HD22 LEU A 95 4.627 6.949 -3.358 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.352 6.526 -3.461 1.00 0.00 H new ATOM 1549 N THR A 96 6.460 7.240 2.655 1.00 0.00 N ATOM 1550 CA THR A 96 7.576 7.406 3.576 1.00 0.00 C ATOM 1551 C THR A 96 7.312 6.609 4.846 1.00 0.00 C ATOM 1552 O THR A 96 8.232 6.079 5.469 1.00 0.00 O ATOM 1553 CB THR A 96 7.778 8.883 3.916 1.00 0.00 C ATOM 1554 OG1 THR A 96 6.829 9.311 4.876 1.00 0.00 O ATOM 1555 CG2 THR A 96 7.657 9.794 2.714 1.00 0.00 C ATOM 0 H THR A 96 5.586 7.657 2.976 1.00 0.00 H new ATOM 0 HA THR A 96 8.484 7.037 3.099 1.00 0.00 H new ATOM 0 HB THR A 96 8.793 8.954 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 96 6.976 10.258 5.081 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.811 10.828 3.024 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.409 9.521 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.664 9.690 2.277 1.00 0.00 H new ATOM 1563 N ASN A 97 6.037 6.522 5.208 1.00 0.00 N ATOM 1564 CA ASN A 97 5.617 5.785 6.388 1.00 0.00 C ATOM 1565 C ASN A 97 4.600 4.714 6.005 1.00 0.00 C ATOM 1566 O ASN A 97 3.753 4.332 6.812 1.00 0.00 O ATOM 1567 CB ASN A 97 5.011 6.739 7.417 1.00 0.00 C ATOM 1568 CG ASN A 97 3.773 7.443 6.895 1.00 0.00 C ATOM 1569 OD1 ASN A 97 2.649 7.104 7.266 1.00 0.00 O ATOM 1570 ND2 ASN A 97 3.974 8.429 6.029 1.00 0.00 N ATOM 0 H ASN A 97 5.272 6.958 4.694 1.00 0.00 H new ATOM 0 HA ASN A 97 6.489 5.301 6.827 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.756 6.182 8.319 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.755 7.483 7.702 1.00 0.00 H new ATOM 0 HD21 ASN A 97 3.179 8.939 5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.923 8.676 5.749 1.00 0.00 H new ATOM 1577 N THR A 98 4.685 4.239 4.762 1.00 0.00 N ATOM 1578 CA THR A 98 3.765 3.219 4.269 1.00 0.00 C ATOM 1579 C THR A 98 3.721 1.980 5.175 1.00 0.00 C ATOM 1580 O THR A 98 2.664 1.366 5.324 1.00 0.00 O ATOM 1581 CB THR A 98 4.119 2.819 2.827 1.00 0.00 C ATOM 1582 OG1 THR A 98 2.996 2.244 2.181 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.261 1.828 2.714 1.00 0.00 C ATOM 0 H THR A 98 5.380 4.545 4.081 1.00 0.00 H new ATOM 0 HA THR A 98 2.768 3.660 4.281 1.00 0.00 H new ATOM 0 HB THR A 98 4.432 3.749 2.353 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.152 1.286 2.046 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.444 1.601 1.664 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.161 2.258 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.001 0.911 3.243 1.00 0.00 H new ATOM 1591 N PRO A 99 4.854 1.580 5.794 1.00 0.00 N ATOM 1592 CA PRO A 99 4.887 0.400 6.669 1.00 0.00 C ATOM 1593 C PRO A 99 3.930 0.525 7.851 1.00 0.00 C ATOM 1594 O PRO A 99 3.536 -0.475 8.449 1.00 0.00 O ATOM 1595 CB PRO A 99 6.341 0.348 7.156 1.00 0.00 C ATOM 1596 CG PRO A 99 7.107 1.129 6.146 1.00 0.00 C ATOM 1597 CD PRO A 99 6.179 2.220 5.699 1.00 0.00 C ATOM 0 HA PRO A 99 4.571 -0.501 6.143 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.441 0.782 8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.701 -0.679 7.219 1.00 0.00 H new ATOM 0 HG2 PRO A 99 8.019 1.541 6.577 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.407 0.500 5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.250 3.099 6.339 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.399 2.547 4.683 1.00 0.00 H new ATOM 1605 N ALA A 100 3.558 1.758 8.181 1.00 0.00 N ATOM 1606 CA ALA A 100 2.645 2.007 9.290 1.00 0.00 C ATOM 1607 C ALA A 100 1.202 1.726 8.882 1.00 0.00 C ATOM 1608 O ALA A 100 0.372 1.357 9.713 1.00 0.00 O ATOM 1609 CB ALA A 100 2.788 3.441 9.779 1.00 0.00 C ATOM 0 H ALA A 100 3.874 2.598 7.697 1.00 0.00 H new ATOM 0 HA ALA A 100 2.905 1.330 10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.101 3.613 10.607 1.00 0.00 H new ATOM 0 HB2 ALA A 100 3.811 3.610 10.115 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.555 4.128 8.965 1.00 0.00 H new ATOM 1615 N VAL A 101 0.910 1.902 7.597 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.433 1.668 7.079 1.00 0.00 C ATOM 1617 C VAL A 101 -0.730 0.177 6.969 1.00 0.00 C ATOM 1618 O VAL A 101 -1.882 -0.245 7.074 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.621 2.320 5.696 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -2.074 2.230 5.255 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.151 3.767 5.720 1.00 0.00 C ATOM 0 H VAL A 101 1.585 2.206 6.896 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.128 2.122 7.786 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.013 1.777 4.973 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.187 2.696 4.276 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.372 1.183 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.706 2.746 5.977 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.291 4.212 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.730 4.325 6.456 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.905 3.802 5.987 1.00 0.00 H new ATOM 1631 N ILE A 102 0.314 -0.618 6.757 1.00 0.00 N ATOM 1632 CA ILE A 102 0.161 -2.064 6.633 1.00 0.00 C ATOM 1633 C ILE A 102 -0.123 -2.706 7.986 1.00 0.00 C ATOM 1634 O ILE A 102 -0.846 -3.698 8.073 1.00 0.00 O ATOM 1635 CB ILE A 102 1.418 -2.712 6.020 1.00 0.00 C ATOM 1636 CG1 ILE A 102 1.823 -1.982 4.739 1.00 0.00 C ATOM 1637 CG2 ILE A 102 1.170 -4.187 5.740 1.00 0.00 C ATOM 1638 CD1 ILE A 102 3.254 -2.241 4.323 1.00 0.00 C ATOM 0 H ILE A 102 1.274 -0.286 6.668 1.00 0.00 H new ATOM 0 HA ILE A 102 -0.686 -2.236 5.969 1.00 0.00 H new ATOM 0 HB ILE A 102 2.236 -2.630 6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.158 -2.286 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.683 -0.910 4.881 1.00 0.00 H new ATOM 0 HG21 ILE A 102 2.067 -4.631 5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.925 -4.698 6.671 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.340 -4.290 5.041 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.472 -1.692 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.928 -1.911 5.113 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.395 -3.308 4.148 1.00 0.00 H new ATOM 1650 N SER A 103 0.449 -2.134 9.041 1.00 0.00 N ATOM 1651 CA SER A 103 0.253 -2.654 10.390 1.00 0.00 C ATOM 1652 C SER A 103 -1.228 -2.682 10.748 1.00 0.00 C ATOM 1653 O SER A 103 -1.729 -3.672 11.282 1.00 0.00 O ATOM 1654 CB SER A 103 1.022 -1.807 11.405 1.00 0.00 C ATOM 1655 OG SER A 103 2.349 -2.278 11.562 1.00 0.00 O ATOM 0 H SER A 103 1.051 -1.312 8.988 1.00 0.00 H new ATOM 0 HA SER A 103 0.636 -3.674 10.420 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.038 -0.767 11.078 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.508 -1.831 12.366 1.00 0.00 H new ATOM 0 HG SER A 103 2.820 -1.719 12.215 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.925 -1.592 10.445 1.00 0.00 N ATOM 1662 CA ALA A 104 -3.351 -1.500 10.729 1.00 0.00 C ATOM 1663 C ALA A 104 -4.114 -2.606 10.011 1.00 0.00 C ATOM 1664 O ALA A 104 -5.104 -3.127 10.524 1.00 0.00 O ATOM 1665 CB ALA A 104 -3.885 -0.136 10.319 1.00 0.00 C ATOM 0 H ALA A 104 -1.527 -0.763 10.004 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.497 -1.623 11.802 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -4.952 -0.082 10.537 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.361 0.642 10.875 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -3.725 0.011 9.251 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.638 -2.966 8.824 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.267 -4.017 8.035 1.00 0.00 C ATOM 1673 C PHE A 105 -4.293 -5.329 8.806 1.00 0.00 C ATOM 1674 O PHE A 105 -5.168 -6.167 8.593 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.517 -4.213 6.715 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.406 -4.605 5.569 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -4.747 -5.933 5.352 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.902 -3.644 4.705 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -5.564 -6.288 4.298 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.717 -3.994 3.650 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.048 -5.318 3.447 1.00 0.00 C ATOM 0 H PHE A 105 -2.818 -2.545 8.387 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.292 -3.712 7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -2.998 -3.289 6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.754 -4.980 6.851 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.369 -6.697 6.015 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.647 -2.606 4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -5.824 -7.324 4.140 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.096 -3.233 2.983 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.687 -5.594 2.621 1.00 0.00 H new ATOM 1691 N SER A 106 -3.321 -5.507 9.696 1.00 0.00 N ATOM 1692 CA SER A 106 -3.235 -6.729 10.487 1.00 0.00 C ATOM 1693 C SER A 106 -4.133 -6.670 11.719 1.00 0.00 C ATOM 1694 O SER A 106 -4.518 -7.705 12.260 1.00 0.00 O ATOM 1695 CB SER A 106 -1.788 -6.998 10.902 1.00 0.00 C ATOM 1696 OG SER A 106 -1.629 -8.327 11.367 1.00 0.00 O ATOM 0 H SER A 106 -2.587 -4.825 9.886 1.00 0.00 H new ATOM 0 HA SER A 106 -3.584 -7.549 9.859 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.125 -6.824 10.054 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.495 -6.298 11.685 1.00 0.00 H new ATOM 0 HG SER A 106 -0.695 -8.474 11.625 1.00 0.00 H new ATOM 1702 N THR A 107 -4.479 -5.465 12.151 1.00 0.00 N ATOM 1703 CA THR A 107 -5.348 -5.306 13.310 1.00 0.00 C ATOM 1704 C THR A 107 -6.786 -5.097 12.865 1.00 0.00 C ATOM 1705 O THR A 107 -7.724 -5.472 13.568 1.00 0.00 O ATOM 1706 CB THR A 107 -4.882 -4.138 14.182 1.00 0.00 C ATOM 1707 OG1 THR A 107 -3.536 -4.318 14.582 1.00 0.00 O ATOM 1708 CG2 THR A 107 -5.713 -3.960 15.435 1.00 0.00 C ATOM 0 H THR A 107 -4.175 -4.591 11.722 1.00 0.00 H new ATOM 0 HA THR A 107 -5.296 -6.217 13.906 1.00 0.00 H new ATOM 0 HB THR A 107 -4.994 -3.249 13.561 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.256 -3.561 15.137 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.330 -3.116 16.008 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.751 -3.771 15.160 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.657 -4.865 16.040 1.00 0.00 H new ATOM 1716 N MET A 108 -6.954 -4.518 11.685 1.00 0.00 N ATOM 1717 CA MET A 108 -8.279 -4.290 11.142 1.00 0.00 C ATOM 1718 C MET A 108 -8.786 -5.554 10.464 1.00 0.00 C ATOM 1719 O MET A 108 -9.993 -5.755 10.335 1.00 0.00 O ATOM 1720 CB MET A 108 -8.263 -3.126 10.157 1.00 0.00 C ATOM 1721 CG MET A 108 -7.817 -1.813 10.780 1.00 0.00 C ATOM 1722 SD MET A 108 -8.969 -1.210 12.028 1.00 0.00 S ATOM 1723 CE MET A 108 -8.754 0.560 11.862 1.00 0.00 C ATOM 0 H MET A 108 -6.190 -4.199 11.089 1.00 0.00 H new ATOM 0 HA MET A 108 -8.953 -4.034 11.960 1.00 0.00 H new ATOM 0 HB2 MET A 108 -7.599 -3.370 9.328 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.262 -3.000 9.739 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.834 -1.945 11.232 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.709 -1.062 9.997 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.121 1.057 12.760 1.00 0.00 H new ATOM 0 HE2 MET A 108 -7.696 0.787 11.729 1.00 0.00 H new ATOM 0 HE3 MET A 108 -9.313 0.915 10.996 1.00 0.00 H new ATOM 1733 N MET A 109 -7.859 -6.419 10.046 1.00 0.00 N ATOM 1734 CA MET A 109 -8.243 -7.664 9.406 1.00 0.00 C ATOM 1735 C MET A 109 -8.992 -8.539 10.399 1.00 0.00 C ATOM 1736 O MET A 109 -9.932 -9.246 10.035 1.00 0.00 O ATOM 1737 CB MET A 109 -7.015 -8.412 8.885 1.00 0.00 C ATOM 1738 CG MET A 109 -5.961 -8.659 9.946 1.00 0.00 C ATOM 1739 SD MET A 109 -4.744 -9.890 9.443 1.00 0.00 S ATOM 1740 CE MET A 109 -4.609 -10.864 10.940 1.00 0.00 C ATOM 0 H MET A 109 -6.853 -6.277 10.140 1.00 0.00 H new ATOM 0 HA MET A 109 -8.889 -7.432 8.560 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.332 -9.369 8.469 1.00 0.00 H new ATOM 0 HB3 MET A 109 -6.571 -7.841 8.069 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.452 -7.722 10.172 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.446 -8.988 10.865 1.00 0.00 H new ATOM 0 HE1 MET A 109 -3.635 -11.353 10.969 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.715 -10.213 11.808 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.395 -11.619 10.955 1.00 0.00 H new ATOM 1750 N SER A 110 -8.576 -8.478 11.666 1.00 0.00 N ATOM 1751 CA SER A 110 -9.222 -9.259 12.714 1.00 0.00 C ATOM 1752 C SER A 110 -10.718 -8.959 12.763 1.00 0.00 C ATOM 1753 O SER A 110 -11.509 -9.766 13.252 1.00 0.00 O ATOM 1754 CB SER A 110 -8.583 -8.961 14.071 1.00 0.00 C ATOM 1755 OG SER A 110 -8.932 -7.665 14.525 1.00 0.00 O ATOM 0 H SER A 110 -7.800 -7.899 11.986 1.00 0.00 H new ATOM 0 HA SER A 110 -9.086 -10.316 12.485 1.00 0.00 H new ATOM 0 HB2 SER A 110 -8.906 -9.704 14.800 1.00 0.00 H new ATOM 0 HB3 SER A 110 -7.499 -9.042 13.992 1.00 0.00 H new ATOM 0 HG SER A 110 -8.504 -6.992 13.955 1.00 0.00 H new ATOM 1761 N VAL A 111 -11.096 -7.790 12.252 1.00 0.00 N ATOM 1762 CA VAL A 111 -12.493 -7.376 12.232 1.00 0.00 C ATOM 1763 C VAL A 111 -13.259 -8.074 11.109 1.00 0.00 C ATOM 1764 O VAL A 111 -14.384 -8.533 11.309 1.00 0.00 O ATOM 1765 CB VAL A 111 -12.612 -5.844 12.073 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -14.063 -5.425 11.875 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.012 -5.139 13.281 1.00 0.00 C ATOM 0 H VAL A 111 -10.451 -7.112 11.846 1.00 0.00 H new ATOM 0 HA VAL A 111 -12.933 -7.666 13.186 1.00 0.00 H new ATOM 0 HB VAL A 111 -12.054 -5.550 11.184 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -14.117 -4.342 11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -14.460 -5.900 10.978 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -14.652 -5.732 12.739 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.103 -4.060 13.155 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -12.543 -5.445 14.182 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -10.959 -5.406 13.372 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.649 -8.155 9.928 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.289 -8.804 8.787 1.00 0.00 C ATOM 1779 C HIS A 112 -13.280 -10.322 8.950 1.00 0.00 C ATOM 1780 O HIS A 112 -14.146 -11.018 8.421 1.00 0.00 O ATOM 1781 CB HIS A 112 -12.600 -8.399 7.476 1.00 0.00 C ATOM 1782 CG HIS A 112 -11.323 -9.131 7.196 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -10.096 -8.514 7.186 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -11.085 -10.435 6.928 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -9.157 -9.408 6.929 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -9.731 -10.581 6.770 1.00 0.00 N ATOM 0 H HIS A 112 -11.719 -7.782 9.737 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.326 -8.472 8.747 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -13.290 -8.568 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.393 -7.329 7.504 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -11.825 -11.218 6.852 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.098 -9.209 6.861 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -9.248 -11.455 6.563 1.00 0.00 H new ATOM 1795 N ARG A 113 -12.297 -10.827 9.689 1.00 0.00 N ATOM 1796 CA ARG A 113 -12.178 -12.261 9.925 1.00 0.00 C ATOM 1797 C ARG A 113 -13.150 -12.714 11.009 1.00 0.00 C ATOM 1798 O ARG A 113 -13.616 -13.853 11.003 1.00 0.00 O ATOM 1799 CB ARG A 113 -10.745 -12.617 10.327 1.00 0.00 C ATOM 1800 CG ARG A 113 -9.714 -12.285 9.261 1.00 0.00 C ATOM 1801 CD ARG A 113 -8.300 -12.581 9.737 1.00 0.00 C ATOM 1802 NE ARG A 113 -8.063 -12.092 11.095 1.00 0.00 N ATOM 1803 CZ ARG A 113 -8.312 -12.798 12.196 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -8.810 -14.026 12.111 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -8.062 -12.273 13.388 1.00 0.00 N ATOM 0 H ARG A 113 -11.572 -10.265 10.134 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.426 -12.779 8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -10.491 -12.086 11.244 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -10.693 -13.682 10.551 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -9.923 -12.861 8.360 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -9.795 -11.232 8.992 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -8.124 -13.656 9.704 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -7.585 -12.120 9.056 1.00 0.00 H new ATOM 0 HE ARG A 113 -7.683 -11.152 11.205 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -9.005 -14.435 11.197 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -8.998 -14.560 12.959 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -7.680 -11.330 13.460 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -8.252 -12.812 14.233 1.00 0.00 H new