USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 43 TYR OH : rot 86:sc= 0.00868 USER MOD Set 1.2: A 64 MET CE :methyl -148:sc= -0.0595 (180deg=-1.52!) USER MOD Set 1.3: A 80 GLN : amide:sc= 0.00972 X(o=-0.041,f=-0.33) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -72:sc= 0.0715 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= 0.725 (180deg=-0.23) USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 1.12 (180deg=1.11) USER MOD Single : A 61 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 62 THR OG1 : rot -102:sc= 0.0768 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.566 K(o=0.57,f=0) USER MOD Single : A 78 MET CE :methyl -174:sc= -0.164 (180deg=-0.177) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0344 X(o=-0.034,f=-0.034) USER MOD Single : A 86 HIS : no HD1:sc= 0.0705 K(o=0.07,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ -178:sc= 0.516 (180deg=0.507) USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= 1.16 (180deg=0.809) USER MOD ----------------------------------------------------------------- ATOM 174 N LEU A 14 1.715 3.637 -15.878 1.00 0.00 N ATOM 175 CA LEU A 14 1.620 3.389 -17.316 1.00 0.00 C ATOM 176 C LEU A 14 0.315 3.981 -17.885 1.00 0.00 C ATOM 177 O LEU A 14 0.173 4.109 -19.104 1.00 0.00 O ATOM 178 CB LEU A 14 1.664 1.865 -17.510 1.00 0.00 C ATOM 179 CG LEU A 14 2.908 1.188 -16.881 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.477 -0.133 -16.239 1.00 0.00 C ATOM 181 CD2 LEU A 14 4.008 0.968 -17.927 1.00 0.00 C ATOM 0 HA LEU A 14 2.442 3.867 -17.849 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.765 1.427 -17.075 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.642 1.644 -18.577 1.00 0.00 H new ATOM 0 HG LEU A 14 3.328 1.840 -16.116 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.344 -0.620 -15.792 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.733 0.063 -15.467 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.047 -0.784 -17.000 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.868 0.492 -17.456 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.630 0.328 -18.724 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.309 1.928 -18.346 1.00 0.00 H new ATOM 193 N LEU A 15 -0.630 4.335 -17.001 1.00 0.00 N ATOM 194 CA LEU A 15 -1.945 4.897 -17.326 1.00 0.00 C ATOM 195 C LEU A 15 -1.926 6.435 -17.446 1.00 0.00 C ATOM 196 O LEU A 15 -0.880 7.077 -17.527 1.00 0.00 O ATOM 197 CB LEU A 15 -2.995 4.431 -16.284 1.00 0.00 C ATOM 198 CG LEU A 15 -2.998 2.934 -15.914 1.00 0.00 C ATOM 199 CD1 LEU A 15 -4.190 2.659 -14.986 1.00 0.00 C ATOM 200 CD2 LEU A 15 -3.079 2.023 -17.147 1.00 0.00 C ATOM 0 H LEU A 15 -0.490 4.232 -15.996 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.225 4.519 -18.309 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.843 5.005 -15.370 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.984 4.688 -16.662 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.056 2.708 -15.414 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.205 1.603 -14.716 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.096 3.263 -14.084 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.117 2.915 -15.499 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.078 0.980 -16.830 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.997 2.234 -17.696 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.220 2.207 -17.792 1.00 0.00 H new ATOM 212 N SER A 16 -3.120 7.018 -17.443 1.00 0.00 N ATOM 213 CA SER A 16 -3.416 8.434 -17.599 1.00 0.00 C ATOM 214 C SER A 16 -4.029 9.025 -16.313 1.00 0.00 C ATOM 215 O SER A 16 -4.630 8.289 -15.521 1.00 0.00 O ATOM 216 CB SER A 16 -4.413 8.546 -18.756 1.00 0.00 C ATOM 217 OG SER A 16 -3.764 8.426 -20.016 1.00 0.00 O ATOM 0 H SER A 16 -3.971 6.468 -17.322 1.00 0.00 H new ATOM 0 HA SER A 16 -2.502 8.993 -17.800 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.172 7.769 -18.661 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.930 9.504 -18.701 1.00 0.00 H new ATOM 0 HG SER A 16 -4.427 8.500 -20.734 1.00 0.00 H new ATOM 223 N PRO A 17 -3.953 10.357 -16.119 1.00 0.00 N ATOM 224 CA PRO A 17 -4.478 11.045 -14.940 1.00 0.00 C ATOM 225 C PRO A 17 -5.995 10.881 -14.769 1.00 0.00 C ATOM 226 O PRO A 17 -6.491 10.931 -13.646 1.00 0.00 O ATOM 227 CB PRO A 17 -4.078 12.516 -15.116 1.00 0.00 C ATOM 228 CG PRO A 17 -3.949 12.674 -16.632 1.00 0.00 C ATOM 229 CD PRO A 17 -3.411 11.318 -17.068 1.00 0.00 C ATOM 0 HA PRO A 17 -4.063 10.615 -14.028 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.831 13.188 -14.705 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.140 12.740 -14.608 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.908 12.897 -17.098 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.269 13.483 -16.898 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.722 11.082 -18.086 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.321 11.307 -17.057 1.00 0.00 H new ATOM 237 N GLU A 18 -6.721 10.627 -15.863 1.00 0.00 N ATOM 238 CA GLU A 18 -8.168 10.376 -15.861 1.00 0.00 C ATOM 239 C GLU A 18 -8.548 8.898 -15.621 1.00 0.00 C ATOM 240 O GLU A 18 -9.714 8.610 -15.358 1.00 0.00 O ATOM 241 CB GLU A 18 -8.798 10.926 -17.153 1.00 0.00 C ATOM 242 CG GLU A 18 -8.298 10.247 -18.436 1.00 0.00 C ATOM 243 CD GLU A 18 -8.974 10.858 -19.673 1.00 0.00 C ATOM 244 OE1 GLU A 18 -10.062 10.380 -20.077 1.00 0.00 O ATOM 245 OE2 GLU A 18 -8.418 11.820 -20.257 1.00 0.00 O ATOM 0 H GLU A 18 -6.310 10.589 -16.796 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.580 10.911 -15.005 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.880 10.812 -17.093 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.593 11.995 -17.217 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.217 10.358 -18.514 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.506 9.178 -18.392 1.00 0.00 H new ATOM 252 N GLU A 19 -7.591 7.963 -15.677 1.00 0.00 N ATOM 253 CA GLU A 19 -7.809 6.535 -15.408 1.00 0.00 C ATOM 254 C GLU A 19 -7.702 6.229 -13.912 1.00 0.00 C ATOM 255 O GLU A 19 -8.591 5.618 -13.323 1.00 0.00 O ATOM 256 CB GLU A 19 -6.761 5.689 -16.147 1.00 0.00 C ATOM 257 CG GLU A 19 -7.045 5.503 -17.638 1.00 0.00 C ATOM 258 CD GLU A 19 -8.278 4.623 -17.899 1.00 0.00 C ATOM 259 OE1 GLU A 19 -8.201 3.389 -17.687 1.00 0.00 O ATOM 260 OE2 GLU A 19 -9.324 5.153 -18.341 1.00 0.00 O ATOM 0 H GLU A 19 -6.624 8.182 -15.915 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.812 6.289 -15.757 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.784 6.158 -16.030 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.703 4.709 -15.674 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.195 6.479 -18.100 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.175 5.054 -18.117 1.00 0.00 H new ATOM 267 N LEU A 20 -6.604 6.678 -13.301 1.00 0.00 N ATOM 268 CA LEU A 20 -6.257 6.466 -11.890 1.00 0.00 C ATOM 269 C LEU A 20 -7.345 7.036 -10.977 1.00 0.00 C ATOM 270 O LEU A 20 -7.864 6.357 -10.089 1.00 0.00 O ATOM 271 CB LEU A 20 -4.920 7.177 -11.604 1.00 0.00 C ATOM 272 CG LEU A 20 -3.739 6.759 -12.509 1.00 0.00 C ATOM 273 CD1 LEU A 20 -2.810 7.967 -12.671 1.00 0.00 C ATOM 274 CD2 LEU A 20 -2.993 5.548 -11.937 1.00 0.00 C ATOM 0 H LEU A 20 -5.899 7.224 -13.796 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.170 5.397 -11.695 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.071 8.252 -11.706 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.644 6.991 -10.566 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.115 6.452 -13.485 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.968 7.695 -13.307 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.359 8.790 -13.128 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.441 8.276 -11.693 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.169 5.282 -12.599 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.600 5.795 -10.951 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.678 4.705 -11.854 1.00 0.00 H new ATOM 286 N LYS A 21 -7.727 8.290 -11.242 1.00 0.00 N ATOM 287 CA LYS A 21 -8.785 8.990 -10.506 1.00 0.00 C ATOM 288 C LYS A 21 -10.159 8.325 -10.699 1.00 0.00 C ATOM 289 O LYS A 21 -10.937 8.265 -9.745 1.00 0.00 O ATOM 290 CB LYS A 21 -8.799 10.477 -10.913 1.00 0.00 C ATOM 291 CG LYS A 21 -7.808 11.368 -10.138 1.00 0.00 C ATOM 292 CD LYS A 21 -6.362 10.848 -10.098 1.00 0.00 C ATOM 293 CE LYS A 21 -5.409 11.927 -9.566 1.00 0.00 C ATOM 294 NZ LYS A 21 -4.004 11.444 -9.527 1.00 0.00 N ATOM 0 H LYS A 21 -7.306 8.853 -11.981 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.569 8.924 -9.440 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.576 10.550 -11.977 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.806 10.869 -10.771 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -7.809 12.362 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.167 11.480 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.307 9.963 -9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.052 10.544 -11.098 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.472 12.813 -10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.720 12.226 -8.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.388 12.198 -9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.940 10.613 -8.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.700 11.182 -10.487 1.00 0.00 H new ATOM 308 N ALA A 22 -10.443 7.757 -11.878 1.00 0.00 N ATOM 309 CA ALA A 22 -11.693 7.032 -12.142 1.00 0.00 C ATOM 310 C ALA A 22 -11.738 5.670 -11.427 1.00 0.00 C ATOM 311 O ALA A 22 -12.746 5.340 -10.800 1.00 0.00 O ATOM 312 CB ALA A 22 -11.883 6.889 -13.658 1.00 0.00 C ATOM 0 H ALA A 22 -9.811 7.787 -12.678 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.523 7.608 -11.733 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.810 6.351 -13.859 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.931 7.878 -14.114 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.044 6.336 -14.079 1.00 0.00 H new ATOM 391 N GLU A 29 -12.609 2.118 -2.237 1.00 0.00 N ATOM 392 CA GLU A 29 -11.844 1.111 -1.496 1.00 0.00 C ATOM 393 C GLU A 29 -10.330 1.369 -1.593 1.00 0.00 C ATOM 394 O GLU A 29 -9.900 2.325 -2.233 1.00 0.00 O ATOM 395 CB GLU A 29 -12.181 -0.285 -2.050 1.00 0.00 C ATOM 396 CG GLU A 29 -12.786 -1.214 -0.989 1.00 0.00 C ATOM 397 CD GLU A 29 -14.127 -0.691 -0.451 1.00 0.00 C ATOM 398 OE1 GLU A 29 -15.122 -0.666 -1.213 1.00 0.00 O ATOM 399 OE2 GLU A 29 -14.195 -0.316 0.743 1.00 0.00 O ATOM 0 HA GLU A 29 -12.120 1.170 -0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.881 -0.183 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.276 -0.740 -2.452 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.931 -2.205 -1.418 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.084 -1.324 -0.163 1.00 0.00 H new ATOM 406 N TYR A 30 -9.520 0.497 -0.982 1.00 0.00 N ATOM 407 CA TYR A 30 -8.054 0.572 -0.957 1.00 0.00 C ATOM 408 C TYR A 30 -7.414 -0.695 -0.368 1.00 0.00 C ATOM 409 O TYR A 30 -7.988 -1.356 0.501 1.00 0.00 O ATOM 410 CB TYR A 30 -7.583 1.800 -0.163 1.00 0.00 C ATOM 411 CG TYR A 30 -7.890 1.708 1.319 1.00 0.00 C ATOM 412 CD1 TYR A 30 -9.211 1.892 1.774 1.00 0.00 C ATOM 413 CD2 TYR A 30 -6.875 1.347 2.228 1.00 0.00 C ATOM 414 CE1 TYR A 30 -9.511 1.757 3.144 1.00 0.00 C ATOM 415 CE2 TYR A 30 -7.171 1.199 3.596 1.00 0.00 C ATOM 416 CZ TYR A 30 -8.490 1.415 4.060 1.00 0.00 C ATOM 417 OH TYR A 30 -8.770 1.277 5.387 1.00 0.00 O ATOM 0 H TYR A 30 -9.880 -0.310 -0.473 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.730 0.661 -1.994 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -6.508 1.921 -0.298 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.058 2.692 -0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -9.994 2.137 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.868 1.184 1.874 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -10.520 1.915 3.494 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.392 0.921 4.291 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.952 1.038 5.871 1.00 0.00 H new ATOM 427 N ALA A 31 -6.201 -1.001 -0.824 1.00 0.00 N ATOM 428 CA ALA A 31 -5.379 -2.111 -0.353 1.00 0.00 C ATOM 429 C ALA A 31 -3.885 -1.819 -0.551 1.00 0.00 C ATOM 430 O ALA A 31 -3.499 -1.027 -1.411 1.00 0.00 O ATOM 431 CB ALA A 31 -5.815 -3.391 -1.081 1.00 0.00 C ATOM 0 H ALA A 31 -5.747 -0.461 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.525 -2.247 0.719 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.208 -4.229 -0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.865 -3.592 -0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.682 -3.262 -2.155 1.00 0.00 H new ATOM 437 N TRP A 32 -3.054 -2.493 0.242 1.00 0.00 N ATOM 438 CA TRP A 32 -1.595 -2.486 0.126 1.00 0.00 C ATOM 439 C TRP A 32 -1.083 -3.869 -0.281 1.00 0.00 C ATOM 440 O TRP A 32 -1.633 -4.894 0.124 1.00 0.00 O ATOM 441 CB TRP A 32 -0.968 -2.043 1.453 1.00 0.00 C ATOM 442 CG TRP A 32 -1.034 -0.576 1.729 1.00 0.00 C ATOM 443 CD1 TRP A 32 -2.144 0.129 2.041 1.00 0.00 C ATOM 444 CD2 TRP A 32 0.057 0.393 1.681 1.00 0.00 C ATOM 445 NE1 TRP A 32 -1.823 1.462 2.190 1.00 0.00 N ATOM 446 CE2 TRP A 32 -0.473 1.678 2.018 1.00 0.00 C ATOM 447 CE3 TRP A 32 1.438 0.315 1.385 1.00 0.00 C ATOM 448 CZ2 TRP A 32 0.334 2.821 2.089 1.00 0.00 C ATOM 449 CZ3 TRP A 32 2.246 1.464 1.435 1.00 0.00 C ATOM 450 CH2 TRP A 32 1.699 2.701 1.797 1.00 0.00 C ATOM 0 H TRP A 32 -3.387 -3.078 1.008 1.00 0.00 H new ATOM 0 HA TRP A 32 -1.306 -1.777 -0.650 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -1.465 -2.572 2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.077 -2.352 1.464 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -3.133 -0.289 2.156 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -2.500 2.196 2.401 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.875 -0.636 1.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -0.088 3.776 2.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 3.296 1.392 1.193 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.336 3.572 1.852 1.00 0.00 H new ATOM 461 N TYR A 33 0.009 -3.892 -1.045 1.00 0.00 N ATOM 462 CA TYR A 33 0.638 -5.104 -1.574 1.00 0.00 C ATOM 463 C TYR A 33 2.171 -5.047 -1.480 1.00 0.00 C ATOM 464 O TYR A 33 2.762 -3.970 -1.438 1.00 0.00 O ATOM 465 CB TYR A 33 0.214 -5.314 -3.039 1.00 0.00 C ATOM 466 CG TYR A 33 -1.251 -5.635 -3.277 1.00 0.00 C ATOM 467 CD1 TYR A 33 -2.219 -4.611 -3.269 1.00 0.00 C ATOM 468 CD2 TYR A 33 -1.641 -6.960 -3.555 1.00 0.00 C ATOM 469 CE1 TYR A 33 -3.575 -4.914 -3.498 1.00 0.00 C ATOM 470 CE2 TYR A 33 -2.994 -7.269 -3.789 1.00 0.00 C ATOM 471 CZ TYR A 33 -3.968 -6.246 -3.753 1.00 0.00 C ATOM 472 OH TYR A 33 -5.277 -6.548 -3.980 1.00 0.00 O ATOM 0 H TYR A 33 0.497 -3.040 -1.322 1.00 0.00 H new ATOM 0 HA TYR A 33 0.301 -5.943 -0.965 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.462 -4.412 -3.599 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.813 -6.123 -3.456 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.920 -3.589 -3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.898 -7.743 -3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.315 -4.127 -3.479 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.288 -8.288 -3.996 1.00 0.00 H new ATOM 0 HH TYR A 33 -5.368 -7.511 -4.139 1.00 0.00 H new ATOM 482 N TYR A 34 2.816 -6.214 -1.502 1.00 0.00 N ATOM 483 CA TYR A 34 4.274 -6.389 -1.528 1.00 0.00 C ATOM 484 C TYR A 34 4.676 -7.547 -2.461 1.00 0.00 C ATOM 485 O TYR A 34 3.885 -8.470 -2.668 1.00 0.00 O ATOM 486 CB TYR A 34 4.799 -6.629 -0.105 1.00 0.00 C ATOM 487 CG TYR A 34 4.390 -7.946 0.534 1.00 0.00 C ATOM 488 CD1 TYR A 34 3.131 -8.078 1.152 1.00 0.00 C ATOM 489 CD2 TYR A 34 5.278 -9.044 0.518 1.00 0.00 C ATOM 490 CE1 TYR A 34 2.753 -9.297 1.745 1.00 0.00 C ATOM 491 CE2 TYR A 34 4.907 -10.265 1.113 1.00 0.00 C ATOM 492 CZ TYR A 34 3.641 -10.394 1.730 1.00 0.00 C ATOM 493 OH TYR A 34 3.275 -11.572 2.309 1.00 0.00 O ATOM 0 H TYR A 34 2.317 -7.104 -1.502 1.00 0.00 H new ATOM 0 HA TYR A 34 4.725 -5.477 -1.920 1.00 0.00 H new ATOM 0 HB2 TYR A 34 5.888 -6.579 -0.126 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.454 -5.814 0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.452 -7.239 1.171 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.245 -8.947 0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 34 1.784 -9.393 2.211 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.589 -11.102 1.098 1.00 0.00 H new ATOM 0 HH TYR A 34 4.000 -12.224 2.210 1.00 0.00 H new ATOM 503 N GLU A 35 5.884 -7.516 -3.035 1.00 0.00 N ATOM 504 CA GLU A 35 6.362 -8.601 -3.905 1.00 0.00 C ATOM 505 C GLU A 35 6.856 -9.810 -3.090 1.00 0.00 C ATOM 506 O GLU A 35 7.816 -9.709 -2.319 1.00 0.00 O ATOM 507 CB GLU A 35 7.462 -8.128 -4.869 1.00 0.00 C ATOM 508 CG GLU A 35 6.943 -7.148 -5.927 1.00 0.00 C ATOM 509 CD GLU A 35 7.875 -7.113 -7.149 1.00 0.00 C ATOM 510 OE1 GLU A 35 8.980 -6.529 -7.062 1.00 0.00 O ATOM 511 OE2 GLU A 35 7.518 -7.690 -8.203 1.00 0.00 O ATOM 0 H GLU A 35 6.550 -6.753 -2.914 1.00 0.00 H new ATOM 0 HA GLU A 35 5.504 -8.915 -4.500 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.259 -7.651 -4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.900 -8.994 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.940 -7.441 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.865 -6.150 -5.496 1.00 0.00 H new ATOM 518 N GLY A 36 6.204 -10.960 -3.295 1.00 0.00 N ATOM 519 CA GLY A 36 6.610 -12.279 -2.791 1.00 0.00 C ATOM 520 C GLY A 36 7.177 -13.183 -3.894 1.00 0.00 C ATOM 521 O GLY A 36 7.740 -12.703 -4.879 1.00 0.00 O ATOM 0 H GLY A 36 5.342 -11.000 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.360 -12.151 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.751 -12.768 -2.331 1.00 0.00 H new ATOM 525 N ARG A 37 7.034 -14.502 -3.718 1.00 0.00 N ATOM 526 CA ARG A 37 7.658 -15.531 -4.574 1.00 0.00 C ATOM 527 C ARG A 37 7.119 -15.551 -6.015 1.00 0.00 C ATOM 528 O ARG A 37 7.885 -15.751 -6.958 1.00 0.00 O ATOM 529 CB ARG A 37 7.473 -16.928 -3.941 1.00 0.00 C ATOM 530 CG ARG A 37 7.935 -17.055 -2.477 1.00 0.00 C ATOM 531 CD ARG A 37 9.425 -16.752 -2.290 1.00 0.00 C ATOM 532 NE ARG A 37 9.769 -16.656 -0.862 1.00 0.00 N ATOM 533 CZ ARG A 37 10.862 -16.085 -0.371 1.00 0.00 C ATOM 534 NH1 ARG A 37 11.831 -15.663 -1.152 1.00 0.00 N ATOM 535 NH2 ARG A 37 10.988 -15.921 0.924 1.00 0.00 N ATOM 0 H ARG A 37 6.472 -14.897 -2.964 1.00 0.00 H new ATOM 0 HA ARG A 37 8.714 -15.270 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.418 -17.197 -3.996 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.019 -17.656 -4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.351 -16.374 -1.857 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.728 -18.065 -2.123 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.021 -17.535 -2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.675 -15.817 -2.792 1.00 0.00 H new ATOM 0 HE ARG A 37 9.113 -17.062 -0.195 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.754 -15.771 -2.163 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.660 -15.228 -0.747 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.247 -16.232 1.552 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.827 -15.482 1.303 1.00 0.00 H new ATOM 549 N ASN A 38 5.806 -15.351 -6.174 1.00 0.00 N ATOM 550 CA ASN A 38 5.077 -15.508 -7.446 1.00 0.00 C ATOM 551 C ASN A 38 4.447 -14.208 -8.002 1.00 0.00 C ATOM 552 O ASN A 38 3.933 -14.208 -9.124 1.00 0.00 O ATOM 553 CB ASN A 38 4.022 -16.615 -7.266 1.00 0.00 C ATOM 554 CG ASN A 38 4.637 -17.991 -7.010 1.00 0.00 C ATOM 555 OD1 ASN A 38 5.564 -18.423 -7.685 1.00 0.00 O ATOM 556 ND2 ASN A 38 4.147 -18.720 -6.021 1.00 0.00 N ATOM 0 H ASN A 38 5.201 -15.068 -5.403 1.00 0.00 H new ATOM 0 HA ASN A 38 5.808 -15.786 -8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.369 -16.355 -6.433 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.398 -16.663 -8.158 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.541 -19.640 -5.822 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.375 -18.363 -5.458 1.00 0.00 H new ATOM 563 N GLY A 39 4.488 -13.103 -7.245 1.00 0.00 N ATOM 564 CA GLY A 39 3.950 -11.788 -7.628 1.00 0.00 C ATOM 565 C GLY A 39 3.588 -10.913 -6.429 1.00 0.00 C ATOM 566 O GLY A 39 4.079 -11.134 -5.321 1.00 0.00 O ATOM 0 H GLY A 39 4.911 -13.099 -6.317 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.685 -11.267 -8.241 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.063 -11.931 -8.246 1.00 0.00 H new ATOM 570 N TRP A 40 2.735 -9.911 -6.654 1.00 0.00 N ATOM 571 CA TRP A 40 2.178 -9.052 -5.604 1.00 0.00 C ATOM 572 C TRP A 40 1.160 -9.802 -4.727 1.00 0.00 C ATOM 573 O TRP A 40 0.230 -10.423 -5.246 1.00 0.00 O ATOM 574 CB TRP A 40 1.510 -7.834 -6.257 1.00 0.00 C ATOM 575 CG TRP A 40 2.418 -6.960 -7.065 1.00 0.00 C ATOM 576 CD1 TRP A 40 2.525 -6.981 -8.410 1.00 0.00 C ATOM 577 CD2 TRP A 40 3.355 -5.938 -6.605 1.00 0.00 C ATOM 578 NE1 TRP A 40 3.464 -6.055 -8.815 1.00 0.00 N ATOM 579 CE2 TRP A 40 3.998 -5.368 -7.745 1.00 0.00 C ATOM 580 CE3 TRP A 40 3.722 -5.429 -5.341 1.00 0.00 C ATOM 581 CZ2 TRP A 40 4.946 -4.340 -7.639 1.00 0.00 C ATOM 582 CZ3 TRP A 40 4.674 -4.398 -5.225 1.00 0.00 C ATOM 583 CH2 TRP A 40 5.281 -3.847 -6.367 1.00 0.00 C ATOM 0 H TRP A 40 2.405 -9.669 -7.588 1.00 0.00 H new ATOM 0 HA TRP A 40 2.993 -8.734 -4.954 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.704 -8.185 -6.901 1.00 0.00 H new ATOM 0 HB3 TRP A 40 1.053 -7.229 -5.474 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.961 -7.625 -9.069 1.00 0.00 H new ATOM 0 HE1 TRP A 40 3.731 -5.898 -9.787 1.00 0.00 H new ATOM 0 HE3 TRP A 40 3.266 -5.836 -4.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.412 -3.933 -8.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 4.941 -4.026 -4.247 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.001 -3.049 -6.267 1.00 0.00 H new ATOM 594 N TRP A 41 1.298 -9.681 -3.402 1.00 0.00 N ATOM 595 CA TRP A 41 0.398 -10.268 -2.399 1.00 0.00 C ATOM 596 C TRP A 41 -0.026 -9.220 -1.362 1.00 0.00 C ATOM 597 O TRP A 41 0.741 -8.313 -1.036 1.00 0.00 O ATOM 598 CB TRP A 41 1.072 -11.491 -1.759 1.00 0.00 C ATOM 599 CG TRP A 41 1.405 -12.561 -2.752 1.00 0.00 C ATOM 600 CD1 TRP A 41 2.643 -13.008 -3.048 1.00 0.00 C ATOM 601 CD2 TRP A 41 0.503 -13.246 -3.676 1.00 0.00 C ATOM 602 NE1 TRP A 41 2.577 -13.897 -4.102 1.00 0.00 N ATOM 603 CE2 TRP A 41 1.286 -14.039 -4.564 1.00 0.00 C ATOM 604 CE3 TRP A 41 -0.892 -13.234 -3.886 1.00 0.00 C ATOM 605 CZ2 TRP A 41 0.721 -14.747 -5.636 1.00 0.00 C ATOM 606 CZ3 TRP A 41 -1.472 -13.948 -4.950 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.671 -14.699 -5.829 1.00 0.00 C ATOM 0 H TRP A 41 2.064 -9.154 -2.983 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.518 -10.606 -2.884 1.00 0.00 H new ATOM 0 HB2 TRP A 41 1.985 -11.174 -1.255 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.413 -11.904 -0.995 1.00 0.00 H new ATOM 0 HD1 TRP A 41 3.549 -12.715 -2.538 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.383 -14.387 -4.490 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -1.525 -12.667 -3.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 1.347 -15.321 -6.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -2.542 -13.919 -5.093 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.123 -15.237 -6.649 1.00 0.00 H new ATOM 618 N GLN A 42 -1.274 -9.309 -0.895 1.00 0.00 N ATOM 619 CA GLN A 42 -1.918 -8.272 -0.085 1.00 0.00 C ATOM 620 C GLN A 42 -1.522 -8.361 1.401 1.00 0.00 C ATOM 621 O GLN A 42 -1.414 -9.450 1.967 1.00 0.00 O ATOM 622 CB GLN A 42 -3.443 -8.380 -0.271 1.00 0.00 C ATOM 623 CG GLN A 42 -4.184 -7.088 0.111 1.00 0.00 C ATOM 624 CD GLN A 42 -5.710 -7.228 0.054 1.00 0.00 C ATOM 625 OE1 GLN A 42 -6.280 -7.964 -0.742 1.00 0.00 O ATOM 626 NE2 GLN A 42 -6.439 -6.535 0.906 1.00 0.00 N ATOM 0 H GLN A 42 -1.874 -10.115 -1.071 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.575 -7.295 -0.425 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.661 -8.624 -1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.821 -9.203 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.890 -6.792 1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.874 -6.287 -0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.987 -5.915 1.578 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.456 -6.618 0.893 1.00 0.00 H new ATOM 635 N TYR A 43 -1.346 -7.203 2.046 1.00 0.00 N ATOM 636 CA TYR A 43 -1.185 -7.087 3.504 1.00 0.00 C ATOM 637 C TYR A 43 -2.479 -7.414 4.283 1.00 0.00 C ATOM 638 O TYR A 43 -3.591 -7.329 3.754 1.00 0.00 O ATOM 639 CB TYR A 43 -0.719 -5.664 3.848 1.00 0.00 C ATOM 640 CG TYR A 43 0.758 -5.409 3.638 1.00 0.00 C ATOM 641 CD1 TYR A 43 1.673 -5.694 4.670 1.00 0.00 C ATOM 642 CD2 TYR A 43 1.213 -4.856 2.429 1.00 0.00 C ATOM 643 CE1 TYR A 43 3.040 -5.419 4.491 1.00 0.00 C ATOM 644 CE2 TYR A 43 2.576 -4.564 2.247 1.00 0.00 C ATOM 645 CZ TYR A 43 3.493 -4.850 3.281 1.00 0.00 C ATOM 646 OH TYR A 43 4.817 -4.602 3.103 1.00 0.00 O ATOM 0 H TYR A 43 -1.310 -6.304 1.565 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.440 -7.823 3.808 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.285 -4.956 3.243 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.964 -5.459 4.890 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.325 -6.123 5.598 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.511 -4.654 1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.744 -5.643 5.279 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.919 -4.124 1.322 1.00 0.00 H new ATOM 0 HH TYR A 43 5.260 -5.411 2.771 1.00 0.00 H new ATOM 656 N ASP A 44 -2.333 -7.738 5.573 1.00 0.00 N ATOM 657 CA ASP A 44 -3.452 -7.896 6.511 1.00 0.00 C ATOM 658 C ASP A 44 -4.157 -6.555 6.789 1.00 0.00 C ATOM 659 O ASP A 44 -3.520 -5.502 6.788 1.00 0.00 O ATOM 660 CB ASP A 44 -2.927 -8.525 7.807 1.00 0.00 C ATOM 661 CG ASP A 44 -4.047 -8.740 8.831 1.00 0.00 C ATOM 662 OD1 ASP A 44 -4.778 -9.751 8.721 1.00 0.00 O ATOM 663 OD2 ASP A 44 -4.217 -7.859 9.703 1.00 0.00 O ATOM 0 H ASP A 44 -1.422 -7.900 6.001 1.00 0.00 H new ATOM 0 HA ASP A 44 -4.199 -8.552 6.064 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.453 -9.480 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.159 -7.882 8.238 1.00 0.00 H new ATOM 668 N GLU A 45 -5.464 -6.596 7.068 1.00 0.00 N ATOM 669 CA GLU A 45 -6.323 -5.415 7.233 1.00 0.00 C ATOM 670 C GLU A 45 -5.983 -4.579 8.478 1.00 0.00 C ATOM 671 O GLU A 45 -6.331 -3.398 8.535 1.00 0.00 O ATOM 672 CB GLU A 45 -7.806 -5.838 7.242 1.00 0.00 C ATOM 673 CG GLU A 45 -8.125 -6.971 8.233 1.00 0.00 C ATOM 674 CD GLU A 45 -9.636 -7.154 8.441 1.00 0.00 C ATOM 675 OE1 GLU A 45 -10.355 -7.500 7.472 1.00 0.00 O ATOM 676 OE2 GLU A 45 -10.106 -6.972 9.591 1.00 0.00 O ATOM 0 H GLU A 45 -5.969 -7.474 7.189 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.133 -4.766 6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.420 -4.971 7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.089 -6.156 6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.695 -7.903 7.866 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.652 -6.757 9.191 1.00 0.00 H new ATOM 683 N ARG A 46 -5.280 -5.162 9.456 1.00 0.00 N ATOM 684 CA ARG A 46 -4.810 -4.463 10.659 1.00 0.00 C ATOM 685 C ARG A 46 -3.383 -3.924 10.485 1.00 0.00 C ATOM 686 O ARG A 46 -2.946 -3.094 11.287 1.00 0.00 O ATOM 687 CB ARG A 46 -4.896 -5.386 11.890 1.00 0.00 C ATOM 688 CG ARG A 46 -6.199 -6.206 12.027 1.00 0.00 C ATOM 689 CD ARG A 46 -7.479 -5.392 11.778 1.00 0.00 C ATOM 690 NE ARG A 46 -8.697 -6.207 11.911 1.00 0.00 N ATOM 691 CZ ARG A 46 -9.320 -6.587 13.016 1.00 0.00 C ATOM 692 NH1 ARG A 46 -8.878 -6.288 14.221 1.00 0.00 N ATOM 693 NH2 ARG A 46 -10.425 -7.288 12.901 1.00 0.00 N ATOM 0 H ARG A 46 -5.017 -6.147 9.434 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.465 -3.606 10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.055 -6.079 11.861 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.776 -4.777 12.786 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -6.168 -7.039 11.324 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -6.243 -6.635 13.028 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.522 -4.562 12.483 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.442 -4.959 10.778 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.117 -6.521 11.036 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.023 -5.742 14.330 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.391 -6.602 15.045 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.783 -7.527 11.976 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.924 -7.593 13.736 1.00 0.00 H new ATOM 707 N THR A 47 -2.677 -4.356 9.429 1.00 0.00 N ATOM 708 CA THR A 47 -1.334 -3.888 9.056 1.00 0.00 C ATOM 709 C THR A 47 -1.401 -2.799 7.994 1.00 0.00 C ATOM 710 O THR A 47 -0.871 -1.714 8.205 1.00 0.00 O ATOM 711 CB THR A 47 -0.453 -5.063 8.621 1.00 0.00 C ATOM 712 OG1 THR A 47 -0.404 -5.986 9.688 1.00 0.00 O ATOM 713 CG2 THR A 47 0.972 -4.603 8.322 1.00 0.00 C ATOM 0 H THR A 47 -3.038 -5.065 8.790 1.00 0.00 H new ATOM 0 HA THR A 47 -0.872 -3.440 9.936 1.00 0.00 H new ATOM 0 HB THR A 47 -0.873 -5.506 7.718 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.154 -6.751 9.434 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.574 -5.459 8.016 1.00 0.00 H new ATOM 0 HG22 THR A 47 0.955 -3.865 7.520 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.405 -4.156 9.217 1.00 0.00 H new ATOM 721 N SER A 48 -2.096 -3.034 6.881 1.00 0.00 N ATOM 722 CA SER A 48 -2.218 -2.078 5.765 1.00 0.00 C ATOM 723 C SER A 48 -2.813 -0.730 6.184 1.00 0.00 C ATOM 724 O SER A 48 -2.405 0.321 5.682 1.00 0.00 O ATOM 725 CB SER A 48 -3.079 -2.682 4.649 1.00 0.00 C ATOM 726 OG SER A 48 -4.398 -2.962 5.093 1.00 0.00 O ATOM 0 H SER A 48 -2.600 -3.906 6.721 1.00 0.00 H new ATOM 0 HA SER A 48 -1.205 -1.888 5.411 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.118 -1.992 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.615 -3.600 4.288 1.00 0.00 H new ATOM 0 HG SER A 48 -4.383 -3.736 5.694 1.00 0.00 H new ATOM 732 N ARG A 49 -3.707 -0.741 7.179 1.00 0.00 N ATOM 733 CA ARG A 49 -4.306 0.466 7.745 1.00 0.00 C ATOM 734 C ARG A 49 -3.271 1.390 8.401 1.00 0.00 C ATOM 735 O ARG A 49 -3.494 2.596 8.461 1.00 0.00 O ATOM 736 CB ARG A 49 -5.451 0.072 8.693 1.00 0.00 C ATOM 737 CG ARG A 49 -5.006 -0.549 10.034 1.00 0.00 C ATOM 738 CD ARG A 49 -4.607 0.441 11.142 1.00 0.00 C ATOM 739 NE ARG A 49 -5.638 1.466 11.381 1.00 0.00 N ATOM 740 CZ ARG A 49 -5.400 2.767 11.513 1.00 0.00 C ATOM 741 NH1 ARG A 49 -4.203 3.249 11.762 1.00 0.00 N ATOM 742 NH2 ARG A 49 -6.371 3.641 11.380 1.00 0.00 N ATOM 0 H ARG A 49 -4.037 -1.601 7.617 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.726 1.060 6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.050 0.958 8.902 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.100 -0.638 8.179 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.817 -1.173 10.408 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.159 -1.208 9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.423 -0.107 12.066 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.671 0.928 10.869 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.607 1.154 11.450 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.409 2.616 11.862 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.068 4.256 11.855 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.318 3.324 11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.178 4.637 11.483 1.00 0.00 H new ATOM 756 N GLU A 50 -2.135 0.851 8.869 1.00 0.00 N ATOM 757 CA GLU A 50 -1.070 1.661 9.479 1.00 0.00 C ATOM 758 C GLU A 50 -0.276 2.404 8.395 1.00 0.00 C ATOM 759 O GLU A 50 0.128 3.553 8.572 1.00 0.00 O ATOM 760 CB GLU A 50 -0.107 0.776 10.297 1.00 0.00 C ATOM 761 CG GLU A 50 -0.764 -0.016 11.438 1.00 0.00 C ATOM 762 CD GLU A 50 -1.083 0.877 12.647 1.00 0.00 C ATOM 763 OE1 GLU A 50 -2.039 1.683 12.568 1.00 0.00 O ATOM 764 OE2 GLU A 50 -0.386 0.773 13.684 1.00 0.00 O ATOM 0 H GLU A 50 -1.930 -0.148 8.836 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.541 2.384 10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.380 0.073 9.621 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.675 1.408 10.717 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.682 -0.479 11.077 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.101 -0.823 11.748 1.00 0.00 H new ATOM 771 N LEU A 51 -0.106 1.751 7.240 1.00 0.00 N ATOM 772 CA LEU A 51 0.591 2.265 6.061 1.00 0.00 C ATOM 773 C LEU A 51 -0.243 3.359 5.381 1.00 0.00 C ATOM 774 O LEU A 51 0.272 4.424 5.040 1.00 0.00 O ATOM 775 CB LEU A 51 0.870 1.083 5.106 1.00 0.00 C ATOM 776 CG LEU A 51 1.439 -0.198 5.753 1.00 0.00 C ATOM 777 CD1 LEU A 51 1.629 -1.285 4.689 1.00 0.00 C ATOM 778 CD2 LEU A 51 2.753 0.085 6.486 1.00 0.00 C ATOM 0 H LEU A 51 -0.468 0.808 7.098 1.00 0.00 H new ATOM 0 HA LEU A 51 1.538 2.720 6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.060 0.826 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.569 1.419 4.340 1.00 0.00 H new ATOM 0 HG LEU A 51 0.723 -0.555 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.031 -2.184 5.155 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.669 -1.514 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.323 -0.931 3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.128 -0.837 6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.488 0.472 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.581 0.822 7.270 1.00 0.00 H new ATOM 790 N GLU A 52 -1.552 3.117 5.263 1.00 0.00 N ATOM 791 CA GLU A 52 -2.553 4.063 4.772 1.00 0.00 C ATOM 792 C GLU A 52 -2.682 5.320 5.659 1.00 0.00 C ATOM 793 O GLU A 52 -2.962 6.408 5.154 1.00 0.00 O ATOM 794 CB GLU A 52 -3.905 3.334 4.681 1.00 0.00 C ATOM 795 CG GLU A 52 -4.973 4.087 3.875 1.00 0.00 C ATOM 796 CD GLU A 52 -4.736 4.093 2.356 1.00 0.00 C ATOM 797 OE1 GLU A 52 -3.771 3.465 1.859 1.00 0.00 O ATOM 798 OE2 GLU A 52 -5.530 4.736 1.635 1.00 0.00 O ATOM 0 H GLU A 52 -1.958 2.217 5.519 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.233 4.416 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.747 2.355 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.281 3.162 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.946 3.639 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.017 5.117 4.228 1.00 0.00 H new ATOM 805 N ASP A 53 -2.451 5.206 6.974 1.00 0.00 N ATOM 806 CA ASP A 53 -2.553 6.334 7.907 1.00 0.00 C ATOM 807 C ASP A 53 -1.276 7.184 7.909 1.00 0.00 C ATOM 808 O ASP A 53 -1.337 8.373 8.194 1.00 0.00 O ATOM 809 CB ASP A 53 -2.859 5.834 9.333 1.00 0.00 C ATOM 810 CG ASP A 53 -4.346 5.894 9.731 1.00 0.00 C ATOM 811 OD1 ASP A 53 -5.245 5.899 8.858 1.00 0.00 O ATOM 812 OD2 ASP A 53 -4.612 5.929 10.958 1.00 0.00 O ATOM 0 H ASP A 53 -2.188 4.327 7.420 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.375 6.964 7.568 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.514 4.804 9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.283 6.427 10.043 1.00 0.00 H new ATOM 817 N ALA A 54 -0.124 6.602 7.574 1.00 0.00 N ATOM 818 CA ALA A 54 1.175 7.266 7.646 1.00 0.00 C ATOM 819 C ALA A 54 1.306 8.460 6.686 1.00 0.00 C ATOM 820 O ALA A 54 1.665 9.558 7.122 1.00 0.00 O ATOM 821 CB ALA A 54 2.237 6.191 7.426 1.00 0.00 C ATOM 0 H ALA A 54 -0.068 5.640 7.240 1.00 0.00 H new ATOM 0 HA ALA A 54 1.305 7.724 8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.228 6.643 7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.150 5.429 8.201 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.093 5.732 6.448 1.00 0.00 H new ATOM 827 N PHE A 55 0.933 8.297 5.410 1.00 0.00 N ATOM 828 CA PHE A 55 0.922 9.415 4.455 1.00 0.00 C ATOM 829 C PHE A 55 -0.178 10.441 4.770 1.00 0.00 C ATOM 830 O PHE A 55 -0.076 11.606 4.390 1.00 0.00 O ATOM 831 CB PHE A 55 0.840 8.890 3.016 1.00 0.00 C ATOM 832 CG PHE A 55 -0.512 8.383 2.553 1.00 0.00 C ATOM 833 CD1 PHE A 55 -1.463 9.300 2.071 1.00 0.00 C ATOM 834 CD2 PHE A 55 -0.795 7.003 2.530 1.00 0.00 C ATOM 835 CE1 PHE A 55 -2.689 8.847 1.552 1.00 0.00 C ATOM 836 CE2 PHE A 55 -2.007 6.552 1.982 1.00 0.00 C ATOM 837 CZ PHE A 55 -2.957 7.468 1.498 1.00 0.00 C ATOM 0 H PHE A 55 0.636 7.405 5.015 1.00 0.00 H new ATOM 0 HA PHE A 55 1.864 9.953 4.558 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.152 9.689 2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.562 8.081 2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.251 10.359 2.100 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.084 6.296 2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.422 9.556 1.196 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -2.211 5.493 1.932 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.890 7.113 1.086 1.00 0.00 H new ATOM 847 N SER A 56 -1.201 10.017 5.510 1.00 0.00 N ATOM 848 CA SER A 56 -2.292 10.868 6.005 1.00 0.00 C ATOM 849 C SER A 56 -1.893 11.671 7.265 1.00 0.00 C ATOM 850 O SER A 56 -2.380 12.780 7.487 1.00 0.00 O ATOM 851 CB SER A 56 -3.520 9.984 6.271 1.00 0.00 C ATOM 852 OG SER A 56 -4.716 10.749 6.324 1.00 0.00 O ATOM 0 H SER A 56 -1.300 9.042 5.793 1.00 0.00 H new ATOM 0 HA SER A 56 -2.527 11.611 5.243 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.604 9.232 5.487 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.387 9.450 7.212 1.00 0.00 H new ATOM 0 HG SER A 56 -5.477 10.155 6.493 1.00 0.00 H new ATOM 858 N LYS A 57 -0.945 11.163 8.065 1.00 0.00 N ATOM 859 CA LYS A 57 -0.348 11.861 9.214 1.00 0.00 C ATOM 860 C LYS A 57 0.708 12.895 8.783 1.00 0.00 C ATOM 861 O LYS A 57 0.825 13.951 9.409 1.00 0.00 O ATOM 862 CB LYS A 57 0.300 10.825 10.147 1.00 0.00 C ATOM 863 CG LYS A 57 -0.710 10.016 10.980 1.00 0.00 C ATOM 864 CD LYS A 57 -0.131 8.647 11.372 1.00 0.00 C ATOM 865 CE LYS A 57 1.227 8.729 12.090 1.00 0.00 C ATOM 866 NZ LYS A 57 1.076 8.757 13.571 1.00 0.00 N ATOM 0 H LYS A 57 -0.561 10.228 7.927 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.143 12.401 9.729 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.897 10.136 9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.985 11.337 10.822 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.975 10.573 11.878 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.628 9.876 10.409 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.843 8.134 12.019 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.020 8.039 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.840 7.874 11.805 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.756 9.624 11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.015 8.812 14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.513 9.587 13.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.594 7.891 13.887 1.00 0.00 H new ATOM 880 N GLY A 58 1.477 12.580 7.729 1.00 0.00 N ATOM 881 CA GLY A 58 2.508 13.442 7.145 1.00 0.00 C ATOM 882 C GLY A 58 3.914 12.851 7.207 1.00 0.00 C ATOM 883 O GLY A 58 4.827 13.416 6.607 1.00 0.00 O ATOM 0 H GLY A 58 1.392 11.686 7.245 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.254 13.642 6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.504 14.400 7.664 1.00 0.00 H new ATOM 887 N LYS A 59 4.112 11.718 7.894 1.00 0.00 N ATOM 888 CA LYS A 59 5.390 11.001 7.879 1.00 0.00 C ATOM 889 C LYS A 59 5.723 10.401 6.495 1.00 0.00 C ATOM 890 O LYS A 59 4.837 10.107 5.691 1.00 0.00 O ATOM 891 CB LYS A 59 5.442 9.941 9.003 1.00 0.00 C ATOM 892 CG LYS A 59 4.194 9.055 9.084 1.00 0.00 C ATOM 893 CD LYS A 59 4.367 7.766 9.901 1.00 0.00 C ATOM 894 CE LYS A 59 4.936 7.894 11.327 1.00 0.00 C ATOM 895 NZ LYS A 59 6.423 7.982 11.358 1.00 0.00 N ATOM 0 H LYS A 59 3.396 11.277 8.471 1.00 0.00 H new ATOM 0 HA LYS A 59 6.171 11.735 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.315 9.307 8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 59 5.578 10.447 9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.381 9.637 9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.890 8.788 8.072 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.394 7.280 9.970 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.018 7.097 9.339 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.516 8.781 11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.617 7.035 11.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.781 7.509 12.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.816 7.517 10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.711 8.981 11.369 1.00 0.00 H new ATOM 909 N LYS A 60 7.017 10.190 6.230 1.00 0.00 N ATOM 910 CA LYS A 60 7.541 9.588 4.985 1.00 0.00 C ATOM 911 C LYS A 60 7.885 8.091 5.113 1.00 0.00 C ATOM 912 O LYS A 60 8.282 7.459 4.138 1.00 0.00 O ATOM 913 CB LYS A 60 8.713 10.440 4.463 1.00 0.00 C ATOM 914 CG LYS A 60 10.063 10.214 5.155 1.00 0.00 C ATOM 915 CD LYS A 60 11.117 11.189 4.617 1.00 0.00 C ATOM 916 CE LYS A 60 12.527 10.754 5.041 1.00 0.00 C ATOM 917 NZ LYS A 60 13.560 11.299 4.126 1.00 0.00 N ATOM 0 H LYS A 60 7.754 10.438 6.890 1.00 0.00 H new ATOM 0 HA LYS A 60 6.743 9.602 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.835 10.243 3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.446 11.492 4.564 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.953 10.347 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 60 10.393 9.188 4.993 1.00 0.00 H new ATOM 0 HD2 LYS A 60 11.057 11.234 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.914 12.193 4.989 1.00 0.00 H new ATOM 0 HE2 LYS A 60 12.724 11.094 6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.586 9.666 5.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.505 11.044 4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.426 10.901 3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.475 12.335 4.083 1.00 0.00 H new ATOM 931 N ASN A 61 7.731 7.519 6.310 1.00 0.00 N ATOM 932 CA ASN A 61 7.966 6.105 6.628 1.00 0.00 C ATOM 933 C ASN A 61 7.393 5.752 8.008 1.00 0.00 C ATOM 934 O ASN A 61 7.310 6.609 8.894 1.00 0.00 O ATOM 935 CB ASN A 61 9.461 5.728 6.548 1.00 0.00 C ATOM 936 CG ASN A 61 10.306 6.438 7.596 1.00 0.00 C ATOM 937 OD1 ASN A 61 10.668 7.676 7.323 1.00 0.00 O flip ATOM 938 ND2 ASN A 61 10.621 5.903 8.651 1.00 0.00 N flip ATOM 0 H ASN A 61 7.425 8.053 7.123 1.00 0.00 H new ATOM 0 HA ASN A 61 7.444 5.519 5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 61 9.566 4.650 6.673 1.00 0.00 H new ATOM 0 HB3 ASN A 61 9.840 5.973 5.556 1.00 0.00 H new ATOM 0 HD21 ASN A 61 10.331 4.944 8.843 1.00 0.00 H new ATOM 0 HD22 ASN A 61 11.174 6.416 9.338 1.00 0.00 H new ATOM 945 N THR A 62 7.000 4.490 8.175 1.00 0.00 N ATOM 946 CA THR A 62 6.291 3.949 9.348 1.00 0.00 C ATOM 947 C THR A 62 6.745 2.522 9.645 1.00 0.00 C ATOM 948 O THR A 62 7.569 1.979 8.919 1.00 0.00 O ATOM 949 CB THR A 62 4.774 4.085 9.154 1.00 0.00 C ATOM 950 OG1 THR A 62 4.164 3.941 10.415 1.00 0.00 O ATOM 951 CG2 THR A 62 4.183 3.066 8.176 1.00 0.00 C ATOM 0 H THR A 62 7.173 3.778 7.466 1.00 0.00 H new ATOM 0 HA THR A 62 6.546 4.532 10.233 1.00 0.00 H new ATOM 0 HB THR A 62 4.581 5.064 8.716 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.785 3.041 10.494 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.108 3.225 8.091 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.647 3.190 7.197 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.373 2.057 8.543 1.00 0.00 H new ATOM 959 N GLU A 63 6.233 1.919 10.713 1.00 0.00 N ATOM 960 CA GLU A 63 6.679 0.639 11.266 1.00 0.00 C ATOM 961 C GLU A 63 5.519 -0.346 11.435 1.00 0.00 C ATOM 962 O GLU A 63 4.390 0.035 11.758 1.00 0.00 O ATOM 963 CB GLU A 63 7.340 0.894 12.626 1.00 0.00 C ATOM 964 CG GLU A 63 8.694 1.593 12.478 1.00 0.00 C ATOM 965 CD GLU A 63 9.291 1.945 13.842 1.00 0.00 C ATOM 966 OE1 GLU A 63 9.625 1.023 14.617 1.00 0.00 O ATOM 967 OE2 GLU A 63 9.514 3.144 14.125 1.00 0.00 O ATOM 0 H GLU A 63 5.461 2.325 11.242 1.00 0.00 H new ATOM 0 HA GLU A 63 7.389 0.192 10.570 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.681 1.506 13.242 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.475 -0.053 13.148 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.382 0.946 11.934 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.574 2.500 11.886 1.00 0.00 H new ATOM 974 N MET A 64 5.822 -1.632 11.245 1.00 0.00 N ATOM 975 CA MET A 64 4.864 -2.744 11.285 1.00 0.00 C ATOM 976 C MET A 64 5.527 -4.066 11.692 1.00 0.00 C ATOM 977 O MET A 64 6.703 -4.303 11.410 1.00 0.00 O ATOM 978 CB MET A 64 4.152 -2.886 9.927 1.00 0.00 C ATOM 979 CG MET A 64 5.136 -2.961 8.751 1.00 0.00 C ATOM 980 SD MET A 64 4.401 -3.434 7.172 1.00 0.00 S ATOM 981 CE MET A 64 5.928 -3.836 6.289 1.00 0.00 C ATOM 0 H MET A 64 6.775 -1.941 11.052 1.00 0.00 H new ATOM 0 HA MET A 64 4.124 -2.510 12.050 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.534 -3.784 9.937 1.00 0.00 H new ATOM 0 HB3 MET A 64 3.482 -2.039 9.782 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.615 -1.989 8.635 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.921 -3.676 8.998 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.808 -3.604 5.231 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.750 -3.249 6.698 1.00 0.00 H new ATOM 0 HE3 MET A 64 6.147 -4.897 6.405 1.00 0.00 H new ATOM 991 N LEU A 65 4.752 -4.935 12.344 1.00 0.00 N ATOM 992 CA LEU A 65 5.153 -6.266 12.804 1.00 0.00 C ATOM 993 C LEU A 65 4.567 -7.341 11.883 1.00 0.00 C ATOM 994 O LEU A 65 3.441 -7.216 11.396 1.00 0.00 O ATOM 995 CB LEU A 65 4.679 -6.450 14.266 1.00 0.00 C ATOM 996 CG LEU A 65 5.687 -7.085 15.242 1.00 0.00 C ATOM 997 CD1 LEU A 65 6.126 -8.503 14.868 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.909 -6.179 15.407 1.00 0.00 C ATOM 0 H LEU A 65 3.782 -4.720 12.576 1.00 0.00 H new ATOM 0 HA LEU A 65 6.238 -6.366 12.771 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.394 -5.473 14.658 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.779 -7.065 14.258 1.00 0.00 H new ATOM 0 HG LEU A 65 5.157 -7.181 16.190 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.835 -8.872 15.609 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.255 -9.158 14.841 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.601 -8.490 13.887 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.613 -6.640 16.100 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.391 -6.038 14.440 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.595 -5.212 15.800 1.00 0.00 H new ATOM 1010 N ILE A 66 5.333 -8.407 11.668 1.00 0.00 N ATOM 1011 CA ILE A 66 4.966 -9.556 10.811 1.00 0.00 C ATOM 1012 C ILE A 66 5.034 -10.892 11.580 1.00 0.00 C ATOM 1013 O ILE A 66 4.866 -10.917 12.799 1.00 0.00 O ATOM 1014 CB ILE A 66 5.783 -9.532 9.500 1.00 0.00 C ATOM 1015 CG1 ILE A 66 7.298 -9.744 9.736 1.00 0.00 C ATOM 1016 CG2 ILE A 66 5.488 -8.229 8.732 1.00 0.00 C ATOM 1017 CD1 ILE A 66 7.859 -10.962 8.990 1.00 0.00 C ATOM 0 H ILE A 66 6.255 -8.509 12.092 1.00 0.00 H new ATOM 0 HA ILE A 66 3.920 -9.462 10.519 1.00 0.00 H new ATOM 0 HB ILE A 66 5.468 -10.377 8.887 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.837 -8.851 9.419 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.480 -9.864 10.804 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.065 -8.213 7.807 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.425 -8.178 8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.765 -7.373 9.347 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.925 -11.056 9.197 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.344 -11.863 9.325 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.707 -10.834 7.918 1.00 0.00 H new ATOM 1029 N ALA A 67 5.295 -12.008 10.892 1.00 0.00 N ATOM 1030 CA ALA A 67 5.423 -13.349 11.473 1.00 0.00 C ATOM 1031 C ALA A 67 6.538 -13.510 12.534 1.00 0.00 C ATOM 1032 O ALA A 67 6.522 -14.490 13.286 1.00 0.00 O ATOM 1033 CB ALA A 67 5.675 -14.311 10.305 1.00 0.00 C ATOM 0 H ALA A 67 5.428 -12.003 9.881 1.00 0.00 H new ATOM 0 HA ALA A 67 4.503 -13.560 12.018 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.778 -15.327 10.686 1.00 0.00 H new ATOM 0 HB2 ALA A 67 4.836 -14.267 9.610 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.590 -14.023 9.788 1.00 0.00 H new ATOM 1039 N GLY A 68 7.492 -12.571 12.611 1.00 0.00 N ATOM 1040 CA GLY A 68 8.594 -12.603 13.582 1.00 0.00 C ATOM 1041 C GLY A 68 9.597 -11.445 13.525 1.00 0.00 C ATOM 1042 O GLY A 68 10.678 -11.570 14.102 1.00 0.00 O ATOM 0 H GLY A 68 7.520 -11.759 11.994 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.164 -12.632 14.583 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.142 -13.535 13.444 1.00 0.00 H new ATOM 1046 N PHE A 69 9.274 -10.340 12.837 1.00 0.00 N ATOM 1047 CA PHE A 69 10.205 -9.244 12.536 1.00 0.00 C ATOM 1048 C PHE A 69 9.490 -7.886 12.461 1.00 0.00 C ATOM 1049 O PHE A 69 8.304 -7.810 12.131 1.00 0.00 O ATOM 1050 CB PHE A 69 10.924 -9.517 11.198 1.00 0.00 C ATOM 1051 CG PHE A 69 11.805 -10.754 11.160 1.00 0.00 C ATOM 1052 CD1 PHE A 69 13.136 -10.680 11.618 1.00 0.00 C ATOM 1053 CD2 PHE A 69 11.310 -11.973 10.653 1.00 0.00 C ATOM 1054 CE1 PHE A 69 13.968 -11.812 11.560 1.00 0.00 C ATOM 1055 CE2 PHE A 69 12.143 -13.105 10.598 1.00 0.00 C ATOM 1056 CZ PHE A 69 13.473 -13.024 11.048 1.00 0.00 C ATOM 0 H PHE A 69 8.337 -10.181 12.466 1.00 0.00 H new ATOM 0 HA PHE A 69 10.929 -9.199 13.349 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.171 -9.606 10.415 1.00 0.00 H new ATOM 0 HB3 PHE A 69 11.537 -8.650 10.954 1.00 0.00 H new ATOM 0 HD1 PHE A 69 13.518 -9.751 12.015 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.289 -12.038 10.306 1.00 0.00 H new ATOM 0 HE1 PHE A 69 14.988 -11.750 11.909 1.00 0.00 H new ATOM 0 HE2 PHE A 69 11.761 -14.038 10.210 1.00 0.00 H new ATOM 0 HZ PHE A 69 14.114 -13.892 11.000 1.00 0.00 H new ATOM 1066 N LEU A 70 10.238 -6.812 12.729 1.00 0.00 N ATOM 1067 CA LEU A 70 9.814 -5.429 12.502 1.00 0.00 C ATOM 1068 C LEU A 70 10.282 -5.005 11.104 1.00 0.00 C ATOM 1069 O LEU A 70 11.475 -5.043 10.801 1.00 0.00 O ATOM 1070 CB LEU A 70 10.423 -4.537 13.607 1.00 0.00 C ATOM 1071 CG LEU A 70 9.827 -3.128 13.822 1.00 0.00 C ATOM 1072 CD1 LEU A 70 9.816 -2.243 12.568 1.00 0.00 C ATOM 1073 CD2 LEU A 70 8.418 -3.193 14.422 1.00 0.00 C ATOM 0 H LEU A 70 11.178 -6.883 13.119 1.00 0.00 H new ATOM 0 HA LEU A 70 8.730 -5.329 12.547 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.347 -5.078 14.550 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.485 -4.419 13.392 1.00 0.00 H new ATOM 0 HG LEU A 70 10.506 -2.654 14.531 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.381 -1.273 12.811 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.837 -2.104 12.212 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.222 -2.722 11.790 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.033 -2.182 14.558 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.761 -3.744 13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.456 -3.699 15.386 1.00 0.00 H new ATOM 1085 N TYR A 71 9.348 -4.558 10.274 1.00 0.00 N ATOM 1086 CA TYR A 71 9.619 -3.927 8.980 1.00 0.00 C ATOM 1087 C TYR A 71 9.241 -2.438 8.991 1.00 0.00 C ATOM 1088 O TYR A 71 8.135 -2.055 9.375 1.00 0.00 O ATOM 1089 CB TYR A 71 8.899 -4.676 7.845 1.00 0.00 C ATOM 1090 CG TYR A 71 9.439 -6.056 7.504 1.00 0.00 C ATOM 1091 CD1 TYR A 71 10.823 -6.278 7.355 1.00 0.00 C ATOM 1092 CD2 TYR A 71 8.548 -7.126 7.297 1.00 0.00 C ATOM 1093 CE1 TYR A 71 11.309 -7.569 7.079 1.00 0.00 C ATOM 1094 CE2 TYR A 71 9.027 -8.426 7.069 1.00 0.00 C ATOM 1095 CZ TYR A 71 10.417 -8.656 6.976 1.00 0.00 C ATOM 1096 OH TYR A 71 10.918 -9.906 6.790 1.00 0.00 O ATOM 0 H TYR A 71 8.352 -4.624 10.484 1.00 0.00 H new ATOM 0 HA TYR A 71 10.692 -3.989 8.798 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.847 -4.776 8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 71 8.941 -4.060 6.947 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.513 -5.453 7.453 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.483 -6.945 7.314 1.00 0.00 H new ATOM 0 HE1 TYR A 71 12.369 -7.728 6.946 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.334 -9.248 6.965 1.00 0.00 H new ATOM 0 HH TYR A 71 10.181 -10.550 6.739 1.00 0.00 H new ATOM 1106 N VAL A 72 10.177 -1.602 8.545 1.00 0.00 N ATOM 1107 CA VAL A 72 9.986 -0.184 8.245 1.00 0.00 C ATOM 1108 C VAL A 72 9.445 -0.102 6.818 1.00 0.00 C ATOM 1109 O VAL A 72 10.094 -0.583 5.891 1.00 0.00 O ATOM 1110 CB VAL A 72 11.305 0.618 8.345 1.00 0.00 C ATOM 1111 CG1 VAL A 72 11.069 2.121 8.109 1.00 0.00 C ATOM 1112 CG2 VAL A 72 11.988 0.418 9.705 1.00 0.00 C ATOM 0 H VAL A 72 11.135 -1.910 8.375 1.00 0.00 H new ATOM 0 HA VAL A 72 9.298 0.251 8.970 1.00 0.00 H new ATOM 0 HB VAL A 72 11.961 0.235 7.563 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.016 2.655 8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.648 2.272 7.115 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.375 2.502 8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.911 0.997 9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.321 0.753 10.500 1.00 0.00 H new ATOM 0 HG23 VAL A 72 12.217 -0.638 9.845 1.00 0.00 H new ATOM 1122 N ALA A 73 8.265 0.485 6.646 1.00 0.00 N ATOM 1123 CA ALA A 73 7.637 0.733 5.354 1.00 0.00 C ATOM 1124 C ALA A 73 7.866 2.195 4.942 1.00 0.00 C ATOM 1125 O ALA A 73 7.453 3.119 5.644 1.00 0.00 O ATOM 1126 CB ALA A 73 6.152 0.382 5.470 1.00 0.00 C ATOM 0 H ALA A 73 7.700 0.812 7.430 1.00 0.00 H new ATOM 0 HA ALA A 73 8.076 0.112 4.573 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.660 0.560 4.514 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.047 -0.668 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.690 1.004 6.237 1.00 0.00 H new ATOM 1132 N ASP A 74 8.539 2.399 3.812 1.00 0.00 N ATOM 1133 CA ASP A 74 8.966 3.699 3.295 1.00 0.00 C ATOM 1134 C ASP A 74 8.039 4.179 2.170 1.00 0.00 C ATOM 1135 O ASP A 74 7.927 3.528 1.130 1.00 0.00 O ATOM 1136 CB ASP A 74 10.419 3.575 2.811 1.00 0.00 C ATOM 1137 CG ASP A 74 10.915 4.876 2.170 1.00 0.00 C ATOM 1138 OD1 ASP A 74 11.086 5.876 2.901 1.00 0.00 O ATOM 1139 OD2 ASP A 74 11.089 4.897 0.930 1.00 0.00 O ATOM 0 H ASP A 74 8.815 1.628 3.203 1.00 0.00 H new ATOM 0 HA ASP A 74 8.909 4.447 4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.062 3.315 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.494 2.762 2.089 1.00 0.00 H new ATOM 1144 N LEU A 75 7.399 5.337 2.373 1.00 0.00 N ATOM 1145 CA LEU A 75 6.490 5.976 1.416 1.00 0.00 C ATOM 1146 C LEU A 75 7.226 6.697 0.278 1.00 0.00 C ATOM 1147 O LEU A 75 6.629 6.913 -0.777 1.00 0.00 O ATOM 1148 CB LEU A 75 5.585 6.977 2.163 1.00 0.00 C ATOM 1149 CG LEU A 75 4.488 6.333 3.038 1.00 0.00 C ATOM 1150 CD1 LEU A 75 4.034 7.300 4.139 1.00 0.00 C ATOM 1151 CD2 LEU A 75 3.302 5.954 2.151 1.00 0.00 C ATOM 0 H LEU A 75 7.503 5.871 3.236 1.00 0.00 H new ATOM 0 HA LEU A 75 5.896 5.185 0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.210 7.608 2.795 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.109 7.630 1.432 1.00 0.00 H new ATOM 0 HG LEU A 75 4.891 5.441 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.261 6.826 4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.884 7.556 4.772 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.634 8.207 3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.522 5.498 2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.908 6.848 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.628 5.245 1.390 1.00 0.00 H new ATOM 1163 N GLU A 76 8.500 7.060 0.458 1.00 0.00 N ATOM 1164 CA GLU A 76 9.272 7.788 -0.556 1.00 0.00 C ATOM 1165 C GLU A 76 9.508 6.928 -1.807 1.00 0.00 C ATOM 1166 O GLU A 76 9.120 7.298 -2.917 1.00 0.00 O ATOM 1167 CB GLU A 76 10.629 8.243 0.001 1.00 0.00 C ATOM 1168 CG GLU A 76 10.558 9.204 1.192 1.00 0.00 C ATOM 1169 CD GLU A 76 11.697 10.231 1.131 1.00 0.00 C ATOM 1170 OE1 GLU A 76 11.525 11.289 0.482 1.00 0.00 O ATOM 1171 OE2 GLU A 76 12.765 10.006 1.749 1.00 0.00 O ATOM 0 H GLU A 76 9.025 6.858 1.309 1.00 0.00 H new ATOM 0 HA GLU A 76 8.683 8.663 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.195 7.361 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.189 8.724 -0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.597 9.719 1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.619 8.641 2.124 1.00 0.00 H new ATOM 1178 N ASN A 77 10.117 5.757 -1.611 1.00 0.00 N ATOM 1179 CA ASN A 77 10.557 4.831 -2.658 1.00 0.00 C ATOM 1180 C ASN A 77 9.578 3.654 -2.842 1.00 0.00 C ATOM 1181 O ASN A 77 9.705 2.875 -3.788 1.00 0.00 O ATOM 1182 CB ASN A 77 11.955 4.307 -2.287 1.00 0.00 C ATOM 1183 CG ASN A 77 12.995 5.409 -2.093 1.00 0.00 C ATOM 1184 OD1 ASN A 77 13.755 5.736 -2.998 1.00 0.00 O ATOM 1185 ND2 ASN A 77 13.074 6.006 -0.913 1.00 0.00 N ATOM 0 H ASN A 77 10.327 5.412 -0.674 1.00 0.00 H new ATOM 0 HA ASN A 77 10.587 5.367 -3.607 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.882 3.723 -1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.298 3.630 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 77 13.767 6.738 -0.757 1.00 0.00 H new ATOM 0 HD22 ASN A 77 12.442 5.734 -0.160 1.00 0.00 H new ATOM 1192 N MET A 78 8.615 3.516 -1.918 1.00 0.00 N ATOM 1193 CA MET A 78 7.647 2.409 -1.823 1.00 0.00 C ATOM 1194 C MET A 78 8.366 1.053 -1.704 1.00 0.00 C ATOM 1195 O MET A 78 8.293 0.204 -2.598 1.00 0.00 O ATOM 1196 CB MET A 78 6.604 2.464 -2.951 1.00 0.00 C ATOM 1197 CG MET A 78 5.857 3.804 -3.039 1.00 0.00 C ATOM 1198 SD MET A 78 4.063 3.699 -2.812 1.00 0.00 S ATOM 1199 CE MET A 78 4.034 3.493 -1.015 1.00 0.00 C ATOM 0 H MET A 78 8.482 4.207 -1.179 1.00 0.00 H new ATOM 0 HA MET A 78 7.078 2.529 -0.901 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.101 2.272 -3.902 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.879 1.664 -2.803 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.264 4.479 -2.287 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.059 4.252 -4.012 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.012 3.302 -0.687 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.668 2.652 -0.735 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.404 4.401 -0.539 1.00 0.00 H new ATOM 1209 N VAL A 79 9.041 0.848 -0.570 1.00 0.00 N ATOM 1210 CA VAL A 79 9.714 -0.411 -0.180 1.00 0.00 C ATOM 1211 C VAL A 79 9.519 -0.702 1.314 1.00 0.00 C ATOM 1212 O VAL A 79 9.133 0.178 2.081 1.00 0.00 O ATOM 1213 CB VAL A 79 11.235 -0.420 -0.505 1.00 0.00 C ATOM 1214 CG1 VAL A 79 11.519 -0.408 -2.014 1.00 0.00 C ATOM 1215 CG2 VAL A 79 11.994 0.721 0.188 1.00 0.00 C ATOM 0 H VAL A 79 9.142 1.578 0.135 1.00 0.00 H new ATOM 0 HA VAL A 79 9.242 -1.192 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 79 11.607 -1.362 -0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.596 -0.415 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.074 -1.290 -2.475 1.00 0.00 H new ATOM 0 HG13 VAL A 79 11.089 0.490 -2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.051 0.667 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.588 1.679 -0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.883 0.629 1.268 1.00 0.00 H new ATOM 1225 N GLN A 80 9.829 -1.930 1.727 1.00 0.00 N ATOM 1226 CA GLN A 80 9.914 -2.370 3.122 1.00 0.00 C ATOM 1227 C GLN A 80 11.327 -2.898 3.429 1.00 0.00 C ATOM 1228 O GLN A 80 11.969 -3.457 2.544 1.00 0.00 O ATOM 1229 CB GLN A 80 8.845 -3.445 3.402 1.00 0.00 C ATOM 1230 CG GLN A 80 8.982 -4.654 2.457 1.00 0.00 C ATOM 1231 CD GLN A 80 8.216 -5.892 2.893 1.00 0.00 C ATOM 1232 OE1 GLN A 80 7.325 -6.369 2.206 1.00 0.00 O ATOM 1233 NE2 GLN A 80 8.581 -6.502 3.998 1.00 0.00 N ATOM 0 H GLN A 80 10.038 -2.681 1.069 1.00 0.00 H new ATOM 0 HA GLN A 80 9.723 -1.520 3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.930 -3.781 4.435 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.853 -3.008 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.639 -4.362 1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 80 10.038 -4.910 2.367 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.324 -6.109 4.576 1.00 0.00 H new ATOM 0 HE22 GLN A 80 8.121 -7.368 4.278 1.00 0.00 H new ATOM 1242 N TYR A 81 11.796 -2.757 4.674 1.00 0.00 N ATOM 1243 CA TYR A 81 13.094 -3.269 5.165 1.00 0.00 C ATOM 1244 C TYR A 81 13.181 -3.325 6.701 1.00 0.00 C ATOM 1245 O TYR A 81 12.398 -2.670 7.390 1.00 0.00 O ATOM 1246 CB TYR A 81 14.252 -2.444 4.580 1.00 0.00 C ATOM 1247 CG TYR A 81 14.106 -0.934 4.609 1.00 0.00 C ATOM 1248 CD1 TYR A 81 14.205 -0.216 5.818 1.00 0.00 C ATOM 1249 CD2 TYR A 81 13.917 -0.238 3.400 1.00 0.00 C ATOM 1250 CE1 TYR A 81 14.111 1.190 5.818 1.00 0.00 C ATOM 1251 CE2 TYR A 81 13.846 1.165 3.386 1.00 0.00 C ATOM 1252 CZ TYR A 81 13.936 1.887 4.599 1.00 0.00 C ATOM 1253 OH TYR A 81 13.863 3.247 4.586 1.00 0.00 O ATOM 0 H TYR A 81 11.269 -2.267 5.397 1.00 0.00 H new ATOM 0 HA TYR A 81 13.177 -4.299 4.818 1.00 0.00 H new ATOM 0 HB2 TYR A 81 15.162 -2.707 5.120 1.00 0.00 H new ATOM 0 HB3 TYR A 81 14.397 -2.750 3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 81 14.353 -0.745 6.748 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.826 -0.788 2.475 1.00 0.00 H new ATOM 0 HE1 TYR A 81 14.173 1.735 6.748 1.00 0.00 H new ATOM 0 HE2 TYR A 81 13.723 1.691 2.451 1.00 0.00 H new ATOM 0 HH TYR A 81 13.743 3.559 3.665 1.00 0.00 H new ATOM 1263 N ARG A 82 14.128 -4.086 7.266 1.00 0.00 N ATOM 1264 CA ARG A 82 14.374 -4.128 8.721 1.00 0.00 C ATOM 1265 C ARG A 82 15.063 -2.852 9.227 1.00 0.00 C ATOM 1266 O ARG A 82 15.894 -2.267 8.530 1.00 0.00 O ATOM 1267 CB ARG A 82 15.217 -5.367 9.086 1.00 0.00 C ATOM 1268 CG ARG A 82 14.335 -6.604 9.306 1.00 0.00 C ATOM 1269 CD ARG A 82 15.154 -7.850 9.671 1.00 0.00 C ATOM 1270 NE ARG A 82 15.904 -8.368 8.519 1.00 0.00 N ATOM 1271 CZ ARG A 82 15.468 -9.226 7.608 1.00 0.00 C ATOM 1272 NH1 ARG A 82 14.269 -9.763 7.612 1.00 0.00 N ATOM 1273 NH2 ARG A 82 16.263 -9.573 6.631 1.00 0.00 N ATOM 0 H ARG A 82 14.748 -4.692 6.729 1.00 0.00 H new ATOM 0 HA ARG A 82 13.403 -4.194 9.212 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.934 -5.567 8.290 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.792 -5.164 9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.618 -6.399 10.101 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.760 -6.803 8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.847 -7.606 10.476 1.00 0.00 H new ATOM 0 HD3 ARG A 82 14.487 -8.625 10.049 1.00 0.00 H new ATOM 0 HE ARG A 82 16.861 -8.032 8.409 1.00 0.00 H new ATOM 0 HH11 ARG A 82 13.606 -9.525 8.350 1.00 0.00 H new ATOM 0 HH12 ARG A 82 14.001 -10.418 6.877 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.205 -9.185 6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.942 -10.232 5.922 1.00 0.00 H new ATOM 1287 N ARG A 83 14.797 -2.465 10.483 1.00 0.00 N ATOM 1288 CA ARG A 83 15.458 -1.324 11.154 1.00 0.00 C ATOM 1289 C ARG A 83 16.997 -1.429 11.195 1.00 0.00 C ATOM 1290 O ARG A 83 17.682 -0.406 11.235 1.00 0.00 O ATOM 1291 CB ARG A 83 14.918 -1.167 12.589 1.00 0.00 C ATOM 1292 CG ARG A 83 13.535 -0.502 12.626 1.00 0.00 C ATOM 1293 CD ARG A 83 13.039 -0.311 14.070 1.00 0.00 C ATOM 1294 NE ARG A 83 12.416 1.005 14.285 1.00 0.00 N ATOM 1295 CZ ARG A 83 13.019 2.178 14.444 1.00 0.00 C ATOM 1296 NH1 ARG A 83 14.330 2.304 14.441 1.00 0.00 N ATOM 1297 NH2 ARG A 83 12.290 3.257 14.612 1.00 0.00 N ATOM 0 H ARG A 83 14.111 -2.937 11.072 1.00 0.00 H new ATOM 0 HA ARG A 83 15.220 -0.446 10.554 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.859 -2.148 13.061 1.00 0.00 H new ATOM 0 HB3 ARG A 83 15.619 -0.573 13.175 1.00 0.00 H new ATOM 0 HG2 ARG A 83 13.582 0.465 12.125 1.00 0.00 H new ATOM 0 HG3 ARG A 83 12.822 -1.113 12.073 1.00 0.00 H new ATOM 0 HD2 ARG A 83 12.319 -1.093 14.309 1.00 0.00 H new ATOM 0 HD3 ARG A 83 13.877 -0.429 14.757 1.00 0.00 H new ATOM 0 HE ARG A 83 11.397 1.018 14.316 1.00 0.00 H new ATOM 0 HH11 ARG A 83 14.921 1.483 14.313 1.00 0.00 H new ATOM 0 HH12 ARG A 83 14.754 3.223 14.566 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.272 3.189 14.619 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.741 4.163 14.735 1.00 0.00 H new ATOM 1311 N ASN A 84 17.547 -2.649 11.160 1.00 0.00 N ATOM 1312 CA ASN A 84 18.988 -2.915 11.249 1.00 0.00 C ATOM 1313 C ASN A 84 19.725 -2.935 9.888 1.00 0.00 C ATOM 1314 O ASN A 84 20.959 -2.940 9.872 1.00 0.00 O ATOM 1315 CB ASN A 84 19.173 -4.234 12.018 1.00 0.00 C ATOM 1316 CG ASN A 84 20.614 -4.435 12.483 1.00 0.00 C ATOM 1317 OD1 ASN A 84 21.141 -3.676 13.287 1.00 0.00 O ATOM 1318 ND2 ASN A 84 21.290 -5.460 11.996 1.00 0.00 N ATOM 0 H ASN A 84 16.990 -3.498 11.067 1.00 0.00 H new ATOM 0 HA ASN A 84 19.452 -2.084 11.779 1.00 0.00 H new ATOM 0 HB2 ASN A 84 18.509 -4.244 12.883 1.00 0.00 H new ATOM 0 HB3 ASN A 84 18.879 -5.068 11.381 1.00 0.00 H new ATOM 0 HD21 ASN A 84 22.254 -5.621 12.289 1.00 0.00 H new ATOM 0 HD22 ASN A 84 20.848 -6.090 11.327 1.00 0.00 H new ATOM 1325 N GLU A 85 19.014 -2.949 8.750 1.00 0.00 N ATOM 1326 CA GLU A 85 19.619 -3.091 7.415 1.00 0.00 C ATOM 1327 C GLU A 85 18.721 -2.544 6.291 1.00 0.00 C ATOM 1328 O GLU A 85 17.590 -2.981 6.093 1.00 0.00 O ATOM 1329 CB GLU A 85 20.046 -4.555 7.154 1.00 0.00 C ATOM 1330 CG GLU A 85 18.897 -5.578 7.196 1.00 0.00 C ATOM 1331 CD GLU A 85 19.342 -7.045 7.076 1.00 0.00 C ATOM 1332 OE1 GLU A 85 20.511 -7.329 6.725 1.00 0.00 O ATOM 1333 OE2 GLU A 85 18.489 -7.928 7.328 1.00 0.00 O ATOM 0 H GLU A 85 17.998 -2.862 8.729 1.00 0.00 H new ATOM 0 HA GLU A 85 20.517 -2.473 7.405 1.00 0.00 H new ATOM 0 HB2 GLU A 85 20.528 -4.610 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 85 20.794 -4.838 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.351 -5.453 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.200 -5.356 6.388 1.00 0.00 H new ATOM 1340 N HIS A 86 19.253 -1.604 5.510 1.00 0.00 N ATOM 1341 CA HIS A 86 18.608 -1.035 4.313 1.00 0.00 C ATOM 1342 C HIS A 86 18.955 -1.795 3.013 1.00 0.00 C ATOM 1343 O HIS A 86 18.260 -1.670 1.999 1.00 0.00 O ATOM 1344 CB HIS A 86 19.027 0.439 4.214 1.00 0.00 C ATOM 1345 CG HIS A 86 20.506 0.633 4.002 1.00 0.00 C ATOM 1346 ND1 HIS A 86 21.478 0.615 5.006 1.00 0.00 N ATOM 1347 CD2 HIS A 86 21.120 0.778 2.794 1.00 0.00 C ATOM 1348 CE1 HIS A 86 22.655 0.765 4.372 1.00 0.00 C ATOM 1349 NE2 HIS A 86 22.472 0.866 3.044 1.00 0.00 N ATOM 0 H HIS A 86 20.172 -1.201 5.693 1.00 0.00 H new ATOM 0 HA HIS A 86 17.528 -1.130 4.421 1.00 0.00 H new ATOM 0 HB2 HIS A 86 18.486 0.907 3.392 1.00 0.00 H new ATOM 0 HB3 HIS A 86 18.729 0.955 5.127 1.00 0.00 H new ATOM 0 HD2 HIS A 86 20.640 0.816 1.827 1.00 0.00 H new ATOM 0 HE1 HIS A 86 23.616 0.800 4.863 1.00 0.00 H new ATOM 0 HE2 HIS A 86 23.205 0.987 2.345 1.00 0.00 H new ATOM 1357 N GLY A 87 20.022 -2.603 3.048 1.00 0.00 N ATOM 1358 CA GLY A 87 20.522 -3.416 1.926 1.00 0.00 C ATOM 1359 C GLY A 87 19.641 -4.626 1.600 1.00 0.00 C ATOM 1360 O GLY A 87 19.710 -5.145 0.486 1.00 0.00 O ATOM 0 H GLY A 87 20.585 -2.715 3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 87 20.601 -2.786 1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 87 21.528 -3.763 2.161 1.00 0.00 H new ATOM 1364 N ARG A 88 18.779 -5.037 2.541 1.00 0.00 N ATOM 1365 CA ARG A 88 17.713 -6.024 2.343 1.00 0.00 C ATOM 1366 C ARG A 88 16.357 -5.320 2.385 1.00 0.00 C ATOM 1367 O ARG A 88 15.809 -5.066 3.460 1.00 0.00 O ATOM 1368 CB ARG A 88 17.810 -7.146 3.394 1.00 0.00 C ATOM 1369 CG ARG A 88 18.904 -8.181 3.078 1.00 0.00 C ATOM 1370 CD ARG A 88 18.655 -8.990 1.794 1.00 0.00 C ATOM 1371 NE ARG A 88 17.392 -9.751 1.853 1.00 0.00 N ATOM 1372 CZ ARG A 88 17.130 -10.906 1.255 1.00 0.00 C ATOM 1373 NH1 ARG A 88 17.980 -11.562 0.498 1.00 0.00 N ATOM 1374 NH2 ARG A 88 15.968 -11.479 1.399 1.00 0.00 N ATOM 0 H ARG A 88 18.808 -4.677 3.495 1.00 0.00 H new ATOM 0 HA ARG A 88 17.825 -6.493 1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 88 18.008 -6.704 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.848 -7.654 3.464 1.00 0.00 H new ATOM 0 HG2 ARG A 88 19.861 -7.666 2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 88 18.989 -8.871 3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 88 18.631 -8.314 0.939 1.00 0.00 H new ATOM 0 HD3 ARG A 88 19.485 -9.678 1.633 1.00 0.00 H new ATOM 0 HE ARG A 88 16.641 -9.346 2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 88 18.915 -11.187 0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 88 17.705 -12.447 0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 88 15.251 -11.039 1.976 1.00 0.00 H new ATOM 0 HH22 ARG A 88 15.776 -12.367 0.935 1.00 0.00 H new ATOM 1388 N ARG A 89 15.830 -5.026 1.193 1.00 0.00 N ATOM 1389 CA ARG A 89 14.532 -4.374 0.971 1.00 0.00 C ATOM 1390 C ARG A 89 13.708 -5.074 -0.115 1.00 0.00 C ATOM 1391 O ARG A 89 14.266 -5.622 -1.069 1.00 0.00 O ATOM 1392 CB ARG A 89 14.713 -2.869 0.694 1.00 0.00 C ATOM 1393 CG ARG A 89 15.501 -2.528 -0.575 1.00 0.00 C ATOM 1394 CD ARG A 89 15.871 -1.044 -0.591 1.00 0.00 C ATOM 1395 NE ARG A 89 16.701 -0.710 -1.762 1.00 0.00 N ATOM 1396 CZ ARG A 89 18.029 -0.715 -1.829 1.00 0.00 C ATOM 1397 NH1 ARG A 89 18.790 -1.023 -0.797 1.00 0.00 N ATOM 1398 NH2 ARG A 89 18.622 -0.401 -2.960 1.00 0.00 N ATOM 0 H ARG A 89 16.313 -5.243 0.321 1.00 0.00 H new ATOM 0 HA ARG A 89 13.954 -4.469 1.891 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.728 -2.408 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.218 -2.417 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.405 -3.135 -0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.907 -2.771 -1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 89 14.963 -0.441 -0.603 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.409 -0.792 0.323 1.00 0.00 H new ATOM 0 HE ARG A 89 16.203 -0.447 -2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.363 -1.270 0.096 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.806 -1.014 -0.892 1.00 0.00 H new ATOM 0 HH21 ARG A 89 18.064 -0.156 -3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.640 -0.402 -3.020 1.00 0.00 H new ATOM 1412 N ARG A 90 12.381 -5.037 0.036 1.00 0.00 N ATOM 1413 CA ARG A 90 11.392 -5.599 -0.900 1.00 0.00 C ATOM 1414 C ARG A 90 10.413 -4.510 -1.341 1.00 0.00 C ATOM 1415 O ARG A 90 10.064 -3.627 -0.560 1.00 0.00 O ATOM 1416 CB ARG A 90 10.631 -6.778 -0.259 1.00 0.00 C ATOM 1417 CG ARG A 90 11.537 -7.973 0.073 1.00 0.00 C ATOM 1418 CD ARG A 90 10.737 -9.106 0.732 1.00 0.00 C ATOM 1419 NE ARG A 90 11.604 -10.263 1.012 1.00 0.00 N ATOM 1420 CZ ARG A 90 11.875 -11.279 0.205 1.00 0.00 C ATOM 1421 NH1 ARG A 90 11.326 -11.442 -0.981 1.00 0.00 N ATOM 1422 NH2 ARG A 90 12.749 -12.149 0.629 1.00 0.00 N ATOM 0 H ARG A 90 11.944 -4.597 0.846 1.00 0.00 H new ATOM 0 HA ARG A 90 11.922 -5.977 -1.774 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.144 -6.435 0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.843 -7.105 -0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.010 -8.339 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.337 -7.653 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 90 10.288 -8.749 1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.919 -9.408 0.078 1.00 0.00 H new ATOM 0 HE ARG A 90 12.046 -10.285 1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.648 -10.763 -1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.579 -12.247 -1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.187 -12.028 1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 90 12.994 -12.950 0.048 1.00 0.00 H new ATOM 1436 N LYS A 91 9.966 -4.562 -2.594 1.00 0.00 N ATOM 1437 CA LYS A 91 9.013 -3.606 -3.174 1.00 0.00 C ATOM 1438 C LYS A 91 7.602 -3.714 -2.564 1.00 0.00 C ATOM 1439 O LYS A 91 7.086 -4.819 -2.376 1.00 0.00 O ATOM 1440 CB LYS A 91 8.963 -3.837 -4.698 1.00 0.00 C ATOM 1441 CG LYS A 91 9.868 -2.916 -5.533 1.00 0.00 C ATOM 1442 CD LYS A 91 9.505 -1.424 -5.464 1.00 0.00 C ATOM 1443 CE LYS A 91 8.035 -1.138 -5.800 1.00 0.00 C ATOM 1444 NZ LYS A 91 7.680 0.265 -5.490 1.00 0.00 N ATOM 0 H LYS A 91 10.260 -5.284 -3.252 1.00 0.00 H new ATOM 0 HA LYS A 91 9.360 -2.598 -2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.239 -4.872 -4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.934 -3.710 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.898 -3.041 -5.199 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.829 -3.238 -6.574 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.720 -1.051 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.142 -0.870 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.855 -1.337 -6.857 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.392 -1.812 -5.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 6.672 0.422 -5.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.862 0.455 -4.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.255 0.906 -6.073 1.00 0.00 H new ATOM 1458 N ILE A 92 6.951 -2.566 -2.346 1.00 0.00 N ATOM 1459 CA ILE A 92 5.527 -2.456 -1.957 1.00 0.00 C ATOM 1460 C ILE A 92 4.777 -1.492 -2.894 1.00 0.00 C ATOM 1461 O ILE A 92 5.398 -0.753 -3.661 1.00 0.00 O ATOM 1462 CB ILE A 92 5.355 -2.090 -0.457 1.00 0.00 C ATOM 1463 CG1 ILE A 92 5.665 -0.608 -0.194 1.00 0.00 C ATOM 1464 CG2 ILE A 92 6.196 -3.003 0.444 1.00 0.00 C ATOM 1465 CD1 ILE A 92 5.604 -0.150 1.266 1.00 0.00 C ATOM 0 H ILE A 92 7.407 -1.658 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 92 5.072 -3.440 -2.074 1.00 0.00 H new ATOM 0 HB ILE A 92 4.307 -2.253 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 92 6.662 -0.394 -0.578 1.00 0.00 H new ATOM 0 HG13 ILE A 92 4.965 -0.004 -0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 92 6.052 -2.719 1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.886 -4.038 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.249 -2.902 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 92 5.841 0.912 1.324 1.00 0.00 H new ATOM 0 HD12 ILE A 92 4.602 -0.320 1.659 1.00 0.00 H new ATOM 0 HD13 ILE A 92 6.326 -0.716 1.855 1.00 0.00 H new ATOM 1477 N LYS A 93 3.445 -1.495 -2.820 1.00 0.00 N ATOM 1478 CA LYS A 93 2.555 -0.581 -3.554 1.00 0.00 C ATOM 1479 C LYS A 93 1.182 -0.400 -2.874 1.00 0.00 C ATOM 1480 O LYS A 93 0.788 -1.206 -2.027 1.00 0.00 O ATOM 1481 CB LYS A 93 2.382 -1.057 -5.017 1.00 0.00 C ATOM 1482 CG LYS A 93 1.554 -2.349 -5.153 1.00 0.00 C ATOM 1483 CD LYS A 93 1.131 -2.621 -6.601 1.00 0.00 C ATOM 1484 CE LYS A 93 0.284 -3.903 -6.660 1.00 0.00 C ATOM 1485 NZ LYS A 93 -0.481 -4.005 -7.928 1.00 0.00 N ATOM 0 H LYS A 93 2.935 -2.153 -2.230 1.00 0.00 H new ATOM 0 HA LYS A 93 3.034 0.398 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 93 1.902 -0.266 -5.593 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.366 -1.219 -5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.138 -3.192 -4.783 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.666 -2.276 -4.525 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.559 -1.777 -6.988 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.012 -2.726 -7.234 1.00 0.00 H new ATOM 0 HE2 LYS A 93 0.934 -4.772 -6.558 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.407 -3.920 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.730 -4.999 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.350 -3.438 -7.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.100 -3.649 -8.714 1.00 0.00 H new ATOM 1499 N ARG A 94 0.440 0.624 -3.311 1.00 0.00 N ATOM 1500 CA ARG A 94 -0.990 0.818 -3.023 1.00 0.00 C ATOM 1501 C ARG A 94 -1.816 0.412 -4.250 1.00 0.00 C ATOM 1502 O ARG A 94 -1.353 0.523 -5.387 1.00 0.00 O ATOM 1503 CB ARG A 94 -1.293 2.282 -2.663 1.00 0.00 C ATOM 1504 CG ARG A 94 -0.793 2.648 -1.260 1.00 0.00 C ATOM 1505 CD ARG A 94 -1.167 4.081 -0.850 1.00 0.00 C ATOM 1506 NE ARG A 94 -2.616 4.246 -0.617 1.00 0.00 N ATOM 1507 CZ ARG A 94 -3.510 4.799 -1.425 1.00 0.00 C ATOM 1508 NH1 ARG A 94 -3.205 5.237 -2.631 1.00 0.00 N ATOM 1509 NH2 ARG A 94 -4.749 4.921 -1.017 1.00 0.00 N ATOM 0 H ARG A 94 0.829 1.365 -3.894 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.255 0.195 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -0.826 2.939 -3.396 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.368 2.454 -2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.210 1.947 -0.536 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.291 2.536 -1.225 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.624 4.349 0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.847 4.773 -1.629 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.971 3.892 0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.248 5.157 -2.976 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.926 5.656 -3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -5.015 4.593 -0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.448 5.344 -1.628 1.00 0.00 H new ATOM 1523 N ASP A 95 -3.053 -0.021 -4.027 1.00 0.00 N ATOM 1524 CA ASP A 95 -4.029 -0.375 -5.063 1.00 0.00 C ATOM 1525 C ASP A 95 -5.476 -0.174 -4.572 1.00 0.00 C ATOM 1526 O ASP A 95 -5.714 0.230 -3.433 1.00 0.00 O ATOM 1527 CB ASP A 95 -3.800 -1.824 -5.543 1.00 0.00 C ATOM 1528 CG ASP A 95 -3.826 -1.930 -7.074 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -4.848 -1.520 -7.674 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -2.832 -2.426 -7.659 1.00 0.00 O ATOM 0 H ASP A 95 -3.422 -0.141 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 95 -3.881 0.297 -5.909 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.840 -2.183 -5.170 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -4.568 -2.472 -5.121 1.00 0.00 H new ATOM 1535 N ILE A 96 -6.445 -0.475 -5.439 1.00 0.00 N ATOM 1536 CA ILE A 96 -7.885 -0.298 -5.219 1.00 0.00 C ATOM 1537 C ILE A 96 -8.606 -1.597 -5.569 1.00 0.00 C ATOM 1538 O ILE A 96 -8.294 -2.257 -6.563 1.00 0.00 O ATOM 1539 CB ILE A 96 -8.439 0.865 -6.073 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -7.667 2.182 -5.857 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -9.946 1.086 -5.796 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -7.856 2.767 -4.458 1.00 0.00 C ATOM 0 H ILE A 96 -6.239 -0.868 -6.358 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.054 -0.051 -4.171 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.302 0.573 -7.114 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.605 2.006 -6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -7.994 2.913 -6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -10.312 1.910 -6.409 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -10.498 0.178 -6.041 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -10.091 1.326 -4.743 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -7.287 3.693 -4.371 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.913 2.974 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.503 2.053 -3.714 1.00 0.00 H new ATOM 1554 N ILE A 97 -9.587 -1.950 -4.748 1.00 0.00 N ATOM 1555 CA ILE A 97 -10.439 -3.128 -4.979 1.00 0.00 C ATOM 1556 C ILE A 97 -11.585 -2.803 -5.945 1.00 0.00 C ATOM 1557 O ILE A 97 -12.234 -1.761 -5.846 1.00 0.00 O ATOM 1558 CB ILE A 97 -10.967 -3.704 -3.653 1.00 0.00 C ATOM 1559 CG1 ILE A 97 -9.833 -4.204 -2.734 1.00 0.00 C ATOM 1560 CG2 ILE A 97 -11.965 -4.845 -3.901 1.00 0.00 C ATOM 1561 CD1 ILE A 97 -9.304 -3.118 -1.799 1.00 0.00 C ATOM 0 H ILE A 97 -9.821 -1.433 -3.901 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.823 -3.896 -5.447 1.00 0.00 H new ATOM 0 HB ILE A 97 -11.475 -2.883 -3.147 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -10.196 -5.043 -2.140 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.014 -4.579 -3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -12.320 -5.232 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -12.810 -4.470 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -11.473 -5.644 -4.456 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -8.508 -3.529 -1.177 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -8.912 -2.289 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -10.113 -2.760 -1.163 1.00 0.00 H new ATOM 1573 N ASP A 98 -11.866 -3.749 -6.840 1.00 0.00 N ATOM 1574 CA ASP A 98 -12.895 -3.647 -7.885 1.00 0.00 C ATOM 1575 C ASP A 98 -14.246 -4.303 -7.523 1.00 0.00 C ATOM 1576 O ASP A 98 -15.277 -3.903 -8.066 1.00 0.00 O ATOM 1577 CB ASP A 98 -12.320 -4.225 -9.189 1.00 0.00 C ATOM 1578 CG ASP A 98 -13.229 -3.981 -10.406 1.00 0.00 C ATOM 1579 OD1 ASP A 98 -13.430 -2.802 -10.780 1.00 0.00 O ATOM 1580 OD2 ASP A 98 -13.699 -4.974 -11.012 1.00 0.00 O ATOM 0 H ASP A 98 -11.369 -4.640 -6.862 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.137 -2.591 -8.003 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -11.343 -3.780 -9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.165 -5.297 -9.067 1.00 0.00 H new ATOM 1585 N ILE A 99 -14.233 -5.248 -6.570 1.00 0.00 N ATOM 1586 CA ILE A 99 -15.364 -6.005 -5.977 1.00 0.00 C ATOM 1587 C ILE A 99 -15.873 -7.123 -6.930 1.00 0.00 C ATOM 1588 O ILE A 99 -16.190 -6.839 -8.091 1.00 0.00 O ATOM 1589 CB ILE A 99 -16.518 -5.085 -5.488 1.00 0.00 C ATOM 1590 CG1 ILE A 99 -16.048 -3.943 -4.553 1.00 0.00 C ATOM 1591 CG2 ILE A 99 -17.647 -5.884 -4.809 1.00 0.00 C ATOM 1592 CD1 ILE A 99 -15.563 -4.384 -3.165 1.00 0.00 C ATOM 0 H ILE A 99 -13.349 -5.534 -6.150 1.00 0.00 H new ATOM 0 HA ILE A 99 -14.971 -6.494 -5.086 1.00 0.00 H new ATOM 0 HB ILE A 99 -16.907 -4.622 -6.395 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -15.240 -3.402 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -16.871 -3.240 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -18.431 -5.201 -4.483 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -18.062 -6.601 -5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -17.248 -6.416 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -15.257 -3.509 -2.591 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -16.371 -4.896 -2.643 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -14.715 -5.061 -3.274 1.00 0.00 H new