USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 706 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 24 HIS : no HE2:sc= 0.332 K(o=1.6,f=-3.8!) USER MOD Set 1.2: A 94 TYR OH : rot 147:sc= 1.3 USER MOD Set 2.1: A 48 TYR OH : rot -140:sc= 0.776 USER MOD Set 2.2: A 98 LYS NZ :NH3+ 129:sc= 1.45 (180deg=-0.0159) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.28) USER MOD Single : A 17 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 25 ASN : amide:sc= -4.78! C(o=-4.8!,f=-6.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -2.95! K(o=-2.9!,f=-2.1) USER MOD Single : A 36 LYS NZ :NH3+ -164:sc= 1.3 (180deg=1.04) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.29 USER MOD Single : A 40 SER OG : rot 180:sc= -0.222 USER MOD Single : A 44 ASN : amide:sc= -0.0981 K(o=-0.098,f=-5!) USER MOD Single : A 45 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0.96) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -20:sc= 0.319 USER MOD Single : A 76 LYS NZ :NH3+ -115:sc= 0.417 (180deg=-0.0371) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0475 X(o=-0.047,f=0) USER MOD Single : A 102 LYS NZ :NH3+ -162:sc= -0.0929 (180deg=-0.483) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 10.725 -0.791 -14.475 1.00 23.34 N ATOM 136 CA GLY A 9 9.700 -0.179 -13.652 1.00 64.43 C ATOM 137 C GLY A 9 10.046 1.253 -13.306 1.00 14.03 C ATOM 138 O GLY A 9 10.684 1.946 -14.102 1.00 43.11 O ATOM 0 HA2 GLY A 9 8.746 -0.207 -14.178 1.00 64.43 H new ATOM 0 HA3 GLY A 9 9.576 -0.756 -12.735 1.00 64.43 H new ATOM 142 N GLU A 10 9.639 1.705 -12.128 1.00 25.23 N ATOM 143 CA GLU A 10 9.977 3.049 -11.669 1.00 4.44 C ATOM 144 C GLU A 10 10.306 3.037 -10.181 1.00 52.12 C ATOM 145 O GLU A 10 11.369 3.504 -9.766 1.00 10.44 O ATOM 146 CB GLU A 10 8.828 4.023 -11.964 1.00 64.04 C ATOM 147 CG GLU A 10 9.111 5.452 -11.519 1.00 70.34 C ATOM 148 CD GLU A 10 8.088 6.445 -12.039 1.00 21.53 C ATOM 149 OE1 GLU A 10 6.994 6.547 -11.445 1.00 0.31 O ATOM 150 OE2 GLU A 10 8.381 7.136 -13.040 1.00 24.23 O ATOM 0 H GLU A 10 9.075 1.164 -11.473 1.00 25.23 H new ATOM 0 HA GLU A 10 10.859 3.388 -12.211 1.00 4.44 H new ATOM 0 HB2 GLU A 10 8.625 4.018 -13.035 1.00 64.04 H new ATOM 0 HB3 GLU A 10 7.925 3.668 -11.467 1.00 64.04 H new ATOM 0 HG2 GLU A 10 9.128 5.492 -10.430 1.00 70.34 H new ATOM 0 HG3 GLU A 10 10.103 5.745 -11.864 1.00 70.34 H new ATOM 157 N ILE A 11 9.395 2.491 -9.378 1.00 52.34 N ATOM 158 CA ILE A 11 9.599 2.396 -7.934 1.00 52.34 C ATOM 159 C ILE A 11 9.298 0.978 -7.451 1.00 22.34 C ATOM 160 O ILE A 11 8.137 0.588 -7.306 1.00 20.42 O ATOM 161 CB ILE A 11 8.719 3.416 -7.157 1.00 44.53 C ATOM 162 CG1 ILE A 11 9.058 4.856 -7.591 1.00 3.01 C ATOM 163 CG2 ILE A 11 8.897 3.250 -5.645 1.00 24.23 C ATOM 164 CD1 ILE A 11 8.236 5.920 -6.893 1.00 53.52 C ATOM 0 H ILE A 11 8.508 2.107 -9.703 1.00 52.34 H new ATOM 0 HA ILE A 11 10.643 2.636 -7.735 1.00 52.34 H new ATOM 0 HB ILE A 11 7.674 3.219 -7.396 1.00 44.53 H new ATOM 0 HG12 ILE A 11 10.114 5.043 -7.399 1.00 3.01 H new ATOM 0 HG13 ILE A 11 8.909 4.945 -8.667 1.00 3.01 H new ATOM 0 HG21 ILE A 11 8.271 3.974 -5.123 1.00 24.23 H new ATOM 0 HG22 ILE A 11 8.605 2.241 -5.353 1.00 24.23 H new ATOM 0 HG23 ILE A 11 9.941 3.416 -5.381 1.00 24.23 H new ATOM 0 HD11 ILE A 11 8.534 6.905 -7.253 1.00 53.52 H new ATOM 0 HD12 ILE A 11 7.179 5.761 -7.106 1.00 53.52 H new ATOM 0 HD13 ILE A 11 8.403 5.861 -5.817 1.00 53.52 H new ATOM 176 N MET A 12 10.361 0.213 -7.230 1.00 1.13 N ATOM 177 CA MET A 12 10.268 -1.180 -6.799 1.00 43.01 C ATOM 178 C MET A 12 10.638 -1.300 -5.322 1.00 63.24 C ATOM 179 O MET A 12 11.775 -1.022 -4.928 1.00 73.41 O ATOM 180 CB MET A 12 11.182 -2.070 -7.668 1.00 34.32 C ATOM 181 CG MET A 12 12.620 -1.566 -7.780 1.00 14.11 C ATOM 182 SD MET A 12 12.730 0.035 -8.613 1.00 45.10 S ATOM 183 CE MET A 12 14.456 0.442 -8.374 1.00 1.00 C ATOM 0 H MET A 12 11.319 0.543 -7.345 1.00 1.13 H new ATOM 0 HA MET A 12 9.240 -1.521 -6.924 1.00 43.01 H new ATOM 0 HB2 MET A 12 11.193 -3.077 -7.251 1.00 34.32 H new ATOM 0 HB3 MET A 12 10.755 -2.143 -8.668 1.00 34.32 H new ATOM 0 HG2 MET A 12 13.051 -1.483 -6.782 1.00 14.11 H new ATOM 0 HG3 MET A 12 13.216 -2.297 -8.325 1.00 14.11 H new ATOM 0 HE1 MET A 12 14.670 1.406 -8.836 1.00 1.00 H new ATOM 0 HE2 MET A 12 14.673 0.495 -7.307 1.00 1.00 H new ATOM 0 HE3 MET A 12 15.078 -0.327 -8.833 1.00 1.00 H new ATOM 193 N ILE A 13 9.670 -1.702 -4.508 1.00 63.13 N ATOM 194 CA ILE A 13 9.848 -1.793 -3.060 1.00 34.20 C ATOM 195 C ILE A 13 10.010 -3.248 -2.625 1.00 12.24 C ATOM 196 O ILE A 13 9.051 -4.021 -2.646 1.00 3.42 O ATOM 197 CB ILE A 13 8.641 -1.167 -2.311 1.00 61.12 C ATOM 198 CG1 ILE A 13 8.347 0.240 -2.850 1.00 61.45 C ATOM 199 CG2 ILE A 13 8.894 -1.125 -0.802 1.00 31.34 C ATOM 200 CD1 ILE A 13 9.510 1.202 -2.728 1.00 2.44 C ATOM 0 H ILE A 13 8.741 -1.974 -4.829 1.00 63.13 H new ATOM 0 HA ILE A 13 10.751 -1.238 -2.806 1.00 34.20 H new ATOM 0 HB ILE A 13 7.768 -1.795 -2.488 1.00 61.12 H new ATOM 0 HG12 ILE A 13 8.061 0.164 -3.899 1.00 61.45 H new ATOM 0 HG13 ILE A 13 7.491 0.651 -2.315 1.00 61.45 H new ATOM 0 HG21 ILE A 13 8.033 -0.682 -0.301 1.00 31.34 H new ATOM 0 HG22 ILE A 13 9.048 -2.138 -0.431 1.00 31.34 H new ATOM 0 HG23 ILE A 13 9.781 -0.525 -0.598 1.00 31.34 H new ATOM 0 HD11 ILE A 13 9.223 2.173 -3.131 1.00 2.44 H new ATOM 0 HD12 ILE A 13 9.784 1.311 -1.679 1.00 2.44 H new ATOM 0 HD13 ILE A 13 10.362 0.815 -3.287 1.00 2.44 H new ATOM 212 N LEU A 14 11.229 -3.619 -2.248 1.00 44.23 N ATOM 213 CA LEU A 14 11.518 -4.971 -1.773 1.00 33.12 C ATOM 214 C LEU A 14 11.484 -5.004 -0.246 1.00 71.33 C ATOM 215 O LEU A 14 12.280 -4.329 0.411 1.00 10.25 O ATOM 216 CB LEU A 14 12.895 -5.444 -2.278 1.00 12.25 C ATOM 217 CG LEU A 14 12.986 -5.796 -3.779 1.00 1.03 C ATOM 218 CD1 LEU A 14 12.677 -4.589 -4.663 1.00 13.32 C ATOM 219 CD2 LEU A 14 14.367 -6.364 -4.107 1.00 44.34 C ATOM 0 H LEU A 14 12.039 -2.999 -2.262 1.00 44.23 H new ATOM 0 HA LEU A 14 10.757 -5.645 -2.165 1.00 33.12 H new ATOM 0 HB2 LEU A 14 13.625 -4.663 -2.064 1.00 12.25 H new ATOM 0 HB3 LEU A 14 13.188 -6.321 -1.702 1.00 12.25 H new ATOM 0 HG LEU A 14 12.232 -6.555 -3.989 1.00 1.03 H new ATOM 0 HD11 LEU A 14 12.751 -4.877 -5.712 1.00 13.32 H new ATOM 0 HD12 LEU A 14 11.667 -4.235 -4.455 1.00 13.32 H new ATOM 0 HD13 LEU A 14 13.391 -3.793 -4.454 1.00 13.32 H new ATOM 0 HD21 LEU A 14 14.417 -6.608 -5.168 1.00 44.34 H new ATOM 0 HD22 LEU A 14 15.131 -5.624 -3.868 1.00 44.34 H new ATOM 0 HD23 LEU A 14 14.539 -7.266 -3.519 1.00 44.34 H new ATOM 231 N ILE A 15 10.552 -5.771 0.313 1.00 51.33 N ATOM 232 CA ILE A 15 10.418 -5.884 1.763 1.00 61.13 C ATOM 233 C ILE A 15 9.863 -7.252 2.163 1.00 74.43 C ATOM 234 O ILE A 15 9.040 -7.826 1.449 1.00 45.51 O ATOM 235 CB ILE A 15 9.503 -4.767 2.329 1.00 65.14 C ATOM 236 CG1 ILE A 15 9.408 -4.870 3.860 1.00 31.14 C ATOM 237 CG2 ILE A 15 8.115 -4.828 1.690 1.00 65.42 C ATOM 238 CD1 ILE A 15 8.528 -3.818 4.493 1.00 62.42 C ATOM 0 H ILE A 15 9.878 -6.324 -0.216 1.00 51.33 H new ATOM 0 HA ILE A 15 11.416 -5.772 2.187 1.00 61.13 H new ATOM 0 HB ILE A 15 9.946 -3.802 2.081 1.00 65.14 H new ATOM 0 HG12 ILE A 15 9.026 -5.856 4.125 1.00 31.14 H new ATOM 0 HG13 ILE A 15 10.410 -4.793 4.282 1.00 31.14 H new ATOM 0 HG21 ILE A 15 7.490 -4.036 2.102 1.00 65.42 H new ATOM 0 HG22 ILE A 15 8.205 -4.696 0.612 1.00 65.42 H new ATOM 0 HG23 ILE A 15 7.660 -5.796 1.901 1.00 65.42 H new ATOM 0 HD11 ILE A 15 8.513 -3.958 5.574 1.00 62.42 H new ATOM 0 HD12 ILE A 15 8.920 -2.828 4.261 1.00 62.42 H new ATOM 0 HD13 ILE A 15 7.515 -3.908 4.101 1.00 62.42 H new ATOM 250 N GLN A 16 10.347 -7.775 3.297 1.00 55.31 N ATOM 251 CA GLN A 16 9.855 -9.034 3.875 1.00 10.32 C ATOM 252 C GLN A 16 9.840 -10.165 2.849 1.00 60.23 C ATOM 253 O GLN A 16 8.951 -11.018 2.864 1.00 34.01 O ATOM 254 CB GLN A 16 8.453 -8.840 4.480 1.00 21.41 C ATOM 255 CG GLN A 16 8.433 -7.954 5.721 1.00 12.14 C ATOM 256 CD GLN A 16 9.346 -8.466 6.823 1.00 45.11 C ATOM 257 OE1 GLN A 16 8.939 -9.273 7.658 1.00 72.34 O ATOM 258 NE2 GLN A 16 10.585 -7.994 6.837 1.00 31.15 N ATOM 0 H GLN A 16 11.091 -7.338 3.840 1.00 55.31 H new ATOM 0 HA GLN A 16 10.546 -9.319 4.668 1.00 10.32 H new ATOM 0 HB2 GLN A 16 7.799 -8.405 3.724 1.00 21.41 H new ATOM 0 HB3 GLN A 16 8.040 -9.816 4.735 1.00 21.41 H new ATOM 0 HG2 GLN A 16 8.734 -6.943 5.446 1.00 12.14 H new ATOM 0 HG3 GLN A 16 7.413 -7.890 6.100 1.00 12.14 H new ATOM 0 HE21 GLN A 16 10.884 -7.326 6.127 1.00 31.15 H new ATOM 0 HE22 GLN A 16 11.239 -8.299 7.558 1.00 31.15 H new ATOM 267 N ASN A 17 10.848 -10.173 1.981 1.00 73.05 N ATOM 268 CA ASN A 17 10.982 -11.193 0.939 1.00 14.33 C ATOM 269 C ASN A 17 9.796 -11.152 -0.026 1.00 3.22 C ATOM 270 O ASN A 17 9.313 -12.189 -0.487 1.00 43.34 O ATOM 271 CB ASN A 17 11.137 -12.598 1.558 1.00 14.24 C ATOM 272 CG ASN A 17 12.407 -12.743 2.385 1.00 41.12 C ATOM 273 OD1 ASN A 17 13.418 -12.085 2.122 1.00 54.45 O ATOM 274 ND2 ASN A 17 12.371 -13.604 3.392 1.00 65.54 N ATOM 0 H ASN A 17 11.593 -9.477 1.978 1.00 73.05 H new ATOM 0 HA ASN A 17 11.886 -10.972 0.371 1.00 14.33 H new ATOM 0 HB2 ASN A 17 10.273 -12.810 2.188 1.00 14.24 H new ATOM 0 HB3 ASN A 17 11.141 -13.342 0.762 1.00 14.24 H new ATOM 0 HD21 ASN A 17 13.195 -13.739 3.977 1.00 65.54 H new ATOM 0 HD22 ASN A 17 11.519 -14.132 3.582 1.00 65.54 H new ATOM 281 N ALA A 18 9.344 -9.941 -0.335 1.00 34.31 N ATOM 282 CA ALA A 18 8.316 -9.718 -1.344 1.00 73.43 C ATOM 283 C ALA A 18 8.641 -8.449 -2.125 1.00 21.41 C ATOM 284 O ALA A 18 9.062 -7.450 -1.537 1.00 24.22 O ATOM 285 CB ALA A 18 6.941 -9.614 -0.694 1.00 52.13 C ATOM 0 H ALA A 18 9.681 -9.086 0.108 1.00 34.31 H new ATOM 0 HA ALA A 18 8.297 -10.564 -2.031 1.00 73.43 H new ATOM 0 HB1 ALA A 18 6.187 -9.448 -1.463 1.00 52.13 H new ATOM 0 HB2 ALA A 18 6.719 -10.539 -0.162 1.00 52.13 H new ATOM 0 HB3 ALA A 18 6.933 -8.781 0.009 1.00 52.13 H new ATOM 291 N GLU A 19 8.475 -8.491 -3.445 1.00 20.43 N ATOM 292 CA GLU A 19 8.756 -7.333 -4.289 1.00 32.34 C ATOM 293 C GLU A 19 7.452 -6.652 -4.704 1.00 52.02 C ATOM 294 O GLU A 19 6.531 -7.301 -5.209 1.00 60.31 O ATOM 295 CB GLU A 19 9.561 -7.747 -5.532 1.00 25.12 C ATOM 296 CG GLU A 19 10.071 -6.564 -6.351 1.00 45.15 C ATOM 297 CD GLU A 19 10.893 -6.982 -7.561 1.00 13.12 C ATOM 298 OE1 GLU A 19 10.308 -7.177 -8.649 1.00 1.24 O ATOM 299 OE2 GLU A 19 12.133 -7.093 -7.436 1.00 21.31 O ATOM 0 H GLU A 19 8.148 -9.313 -3.952 1.00 20.43 H new ATOM 0 HA GLU A 19 9.354 -6.626 -3.714 1.00 32.34 H new ATOM 0 HB2 GLU A 19 10.410 -8.355 -5.219 1.00 25.12 H new ATOM 0 HB3 GLU A 19 8.936 -8.375 -6.167 1.00 25.12 H new ATOM 0 HG2 GLU A 19 9.221 -5.969 -6.685 1.00 45.15 H new ATOM 0 HG3 GLU A 19 10.678 -5.923 -5.712 1.00 45.15 H new ATOM 306 N PHE A 20 7.379 -5.347 -4.469 1.00 24.51 N ATOM 307 CA PHE A 20 6.225 -4.535 -4.845 1.00 22.13 C ATOM 308 C PHE A 20 6.660 -3.446 -5.818 1.00 24.22 C ATOM 309 O PHE A 20 7.850 -3.148 -5.929 1.00 65.35 O ATOM 310 CB PHE A 20 5.606 -3.865 -3.607 1.00 2.45 C ATOM 311 CG PHE A 20 5.080 -4.815 -2.558 1.00 21.23 C ATOM 312 CD1 PHE A 20 5.946 -5.466 -1.687 1.00 72.23 C ATOM 313 CD2 PHE A 20 3.717 -5.045 -2.431 1.00 31.30 C ATOM 314 CE1 PHE A 20 5.461 -6.327 -0.720 1.00 10.31 C ATOM 315 CE2 PHE A 20 3.229 -5.903 -1.463 1.00 0.33 C ATOM 316 CZ PHE A 20 4.102 -6.544 -0.608 1.00 71.01 C ATOM 0 H PHE A 20 8.121 -4.819 -4.010 1.00 24.51 H new ATOM 0 HA PHE A 20 5.486 -5.187 -5.310 1.00 22.13 H new ATOM 0 HB2 PHE A 20 6.357 -3.222 -3.148 1.00 2.45 H new ATOM 0 HB3 PHE A 20 4.790 -3.220 -3.932 1.00 2.45 H new ATOM 0 HD1 PHE A 20 7.010 -5.297 -1.767 1.00 72.23 H new ATOM 0 HD2 PHE A 20 3.028 -4.547 -3.097 1.00 31.30 H new ATOM 0 HE1 PHE A 20 6.145 -6.830 -0.052 1.00 10.31 H new ATOM 0 HE2 PHE A 20 2.166 -6.071 -1.376 1.00 0.33 H new ATOM 0 HZ PHE A 20 3.723 -7.215 0.148 1.00 71.01 H new ATOM 326 N GLU A 21 5.704 -2.856 -6.522 1.00 0.23 N ATOM 327 CA GLU A 21 5.963 -1.643 -7.292 1.00 14.41 C ATOM 328 C GLU A 21 4.831 -0.641 -7.080 1.00 74.44 C ATOM 329 O GLU A 21 3.674 -1.029 -6.883 1.00 33.12 O ATOM 330 CB GLU A 21 6.144 -1.950 -8.790 1.00 55.14 C ATOM 331 CG GLU A 21 4.885 -2.438 -9.501 1.00 31.14 C ATOM 332 CD GLU A 21 5.101 -2.621 -10.997 1.00 10.32 C ATOM 333 OE1 GLU A 21 5.064 -1.612 -11.739 1.00 11.01 O ATOM 334 OE2 GLU A 21 5.316 -3.769 -11.441 1.00 23.53 O ATOM 0 H GLU A 21 4.744 -3.195 -6.577 1.00 0.23 H new ATOM 0 HA GLU A 21 6.896 -1.208 -6.935 1.00 14.41 H new ATOM 0 HB2 GLU A 21 6.501 -1.050 -9.290 1.00 55.14 H new ATOM 0 HB3 GLU A 21 6.922 -2.705 -8.900 1.00 55.14 H new ATOM 0 HG2 GLU A 21 4.567 -3.384 -9.064 1.00 31.14 H new ATOM 0 HG3 GLU A 21 4.078 -1.724 -9.337 1.00 31.14 H new ATOM 341 N LEU A 22 5.174 0.647 -7.085 1.00 23.24 N ATOM 342 CA LEU A 22 4.186 1.708 -6.920 1.00 30.41 C ATOM 343 C LEU A 22 3.368 1.860 -8.202 1.00 60.32 C ATOM 344 O LEU A 22 3.894 2.277 -9.236 1.00 70.50 O ATOM 345 CB LEU A 22 4.871 3.039 -6.559 1.00 35.53 C ATOM 346 CG LEU A 22 3.917 4.227 -6.332 1.00 72.54 C ATOM 347 CD1 LEU A 22 2.983 3.958 -5.155 1.00 30.21 C ATOM 348 CD2 LEU A 22 4.702 5.520 -6.116 1.00 50.24 C ATOM 0 H LEU A 22 6.131 0.979 -7.202 1.00 23.24 H new ATOM 0 HA LEU A 22 3.517 1.438 -6.102 1.00 30.41 H new ATOM 0 HB2 LEU A 22 5.463 2.891 -5.656 1.00 35.53 H new ATOM 0 HB3 LEU A 22 5.566 3.299 -7.357 1.00 35.53 H new ATOM 0 HG LEU A 22 3.307 4.345 -7.228 1.00 72.54 H new ATOM 0 HD11 LEU A 22 2.319 4.811 -5.015 1.00 30.21 H new ATOM 0 HD12 LEU A 22 2.390 3.066 -5.358 1.00 30.21 H new ATOM 0 HD13 LEU A 22 3.572 3.804 -4.251 1.00 30.21 H new ATOM 0 HD21 LEU A 22 4.008 6.345 -5.958 1.00 50.24 H new ATOM 0 HD22 LEU A 22 5.345 5.414 -5.242 1.00 50.24 H new ATOM 0 HD23 LEU A 22 5.315 5.725 -6.994 1.00 50.24 H new ATOM 360 N VAL A 23 2.091 1.500 -8.133 1.00 4.04 N ATOM 361 CA VAL A 23 1.215 1.538 -9.303 1.00 42.01 C ATOM 362 C VAL A 23 0.289 2.756 -9.278 1.00 61.44 C ATOM 363 O VAL A 23 -0.396 3.040 -10.260 1.00 13.41 O ATOM 364 CB VAL A 23 0.364 0.247 -9.415 1.00 31.22 C ATOM 365 CG1 VAL A 23 1.262 -0.974 -9.610 1.00 35.20 C ATOM 366 CG2 VAL A 23 -0.524 0.073 -8.184 1.00 13.12 C ATOM 0 H VAL A 23 1.637 1.178 -7.278 1.00 4.04 H new ATOM 0 HA VAL A 23 1.865 1.612 -10.175 1.00 42.01 H new ATOM 0 HB VAL A 23 -0.282 0.340 -10.288 1.00 31.22 H new ATOM 0 HG11 VAL A 23 0.646 -1.870 -9.686 1.00 35.20 H new ATOM 0 HG12 VAL A 23 1.845 -0.855 -10.524 1.00 35.20 H new ATOM 0 HG13 VAL A 23 1.937 -1.069 -8.759 1.00 35.20 H new ATOM 0 HG21 VAL A 23 -1.112 -0.839 -8.285 1.00 13.12 H new ATOM 0 HG22 VAL A 23 0.099 0.006 -7.292 1.00 13.12 H new ATOM 0 HG23 VAL A 23 -1.194 0.928 -8.095 1.00 13.12 H new ATOM 376 N HIS A 24 0.267 3.472 -8.155 1.00 35.32 N ATOM 377 CA HIS A 24 -0.577 4.661 -8.028 1.00 21.22 C ATOM 378 C HIS A 24 -0.221 5.457 -6.779 1.00 32.15 C ATOM 379 O HIS A 24 -0.005 4.882 -5.715 1.00 13.24 O ATOM 380 CB HIS A 24 -2.062 4.263 -7.983 1.00 40.20 C ATOM 381 CG HIS A 24 -3.011 5.433 -7.954 1.00 74.03 C ATOM 382 ND1 HIS A 24 -2.897 6.525 -8.791 1.00 13.22 N ATOM 383 CD2 HIS A 24 -4.092 5.678 -7.175 1.00 33.05 C ATOM 384 CE1 HIS A 24 -3.862 7.389 -8.523 1.00 35.23 C ATOM 385 NE2 HIS A 24 -4.600 6.899 -7.547 1.00 52.34 N ATOM 0 H HIS A 24 0.819 3.253 -7.326 1.00 35.32 H new ATOM 0 HA HIS A 24 -0.399 5.289 -8.901 1.00 21.22 H new ATOM 0 HB2 HIS A 24 -2.289 3.646 -8.853 1.00 40.20 H new ATOM 0 HB3 HIS A 24 -2.235 3.646 -7.101 1.00 40.20 H new ATOM 0 HD1 HIS A 24 -2.179 6.647 -9.506 1.00 13.22 H new ATOM 0 HD2 HIS A 24 -4.483 5.032 -6.403 1.00 33.05 H new ATOM 0 HE1 HIS A 24 -4.019 8.335 -9.020 1.00 35.23 H new ATOM 394 N ASN A 25 -0.169 6.777 -6.910 1.00 4.41 N ATOM 395 CA ASN A 25 0.080 7.658 -5.772 1.00 54.22 C ATOM 396 C ASN A 25 -0.722 8.948 -5.911 1.00 62.51 C ATOM 397 O ASN A 25 -1.059 9.363 -7.021 1.00 41.25 O ATOM 398 CB ASN A 25 1.578 7.983 -5.644 1.00 43.21 C ATOM 399 CG ASN A 25 1.846 9.018 -4.560 1.00 41.30 C ATOM 400 OD1 ASN A 25 1.885 10.216 -4.825 1.00 2.04 O ATOM 401 ND2 ASN A 25 2.008 8.568 -3.327 1.00 3.11 N ATOM 0 H ASN A 25 -0.296 7.264 -7.797 1.00 4.41 H new ATOM 0 HA ASN A 25 -0.239 7.137 -4.869 1.00 54.22 H new ATOM 0 HB2 ASN A 25 2.129 7.070 -5.418 1.00 43.21 H new ATOM 0 HB3 ASN A 25 1.952 8.353 -6.599 1.00 43.21 H new ATOM 0 HD21 ASN A 25 2.171 9.223 -2.562 1.00 3.11 H new ATOM 0 HD22 ASN A 25 1.970 7.566 -3.141 1.00 3.11 H new ATOM 408 N PHE A 26 -1.039 9.565 -4.778 1.00 73.03 N ATOM 409 CA PHE A 26 -1.728 10.847 -4.758 1.00 1.42 C ATOM 410 C PHE A 26 -1.082 11.767 -3.730 1.00 0.11 C ATOM 411 O PHE A 26 -0.784 11.341 -2.612 1.00 34.14 O ATOM 412 CB PHE A 26 -3.215 10.644 -4.430 1.00 75.22 C ATOM 413 CG PHE A 26 -4.023 11.924 -4.399 1.00 3.12 C ATOM 414 CD1 PHE A 26 -3.872 12.880 -5.394 1.00 71.50 C ATOM 415 CD2 PHE A 26 -4.939 12.165 -3.382 1.00 32.32 C ATOM 416 CE1 PHE A 26 -4.616 14.043 -5.379 1.00 72.51 C ATOM 417 CE2 PHE A 26 -5.685 13.329 -3.362 1.00 12.34 C ATOM 418 CZ PHE A 26 -5.524 14.269 -4.361 1.00 54.01 C ATOM 0 H PHE A 26 -0.826 9.192 -3.853 1.00 73.03 H new ATOM 0 HA PHE A 26 -1.649 11.307 -5.743 1.00 1.42 H new ATOM 0 HB2 PHE A 26 -3.650 9.971 -5.168 1.00 75.22 H new ATOM 0 HB3 PHE A 26 -3.298 10.151 -3.461 1.00 75.22 H new ATOM 0 HD1 PHE A 26 -3.163 12.712 -6.191 1.00 71.50 H new ATOM 0 HD2 PHE A 26 -5.070 11.434 -2.598 1.00 32.32 H new ATOM 0 HE1 PHE A 26 -4.489 14.776 -6.162 1.00 72.51 H new ATOM 0 HE2 PHE A 26 -6.393 13.503 -2.566 1.00 12.34 H new ATOM 0 HZ PHE A 26 -6.106 15.179 -4.347 1.00 54.01 H new ATOM 428 N LYS A 27 -0.836 13.012 -4.138 1.00 54.53 N ATOM 429 CA LYS A 27 -0.308 14.048 -3.248 1.00 63.01 C ATOM 430 C LYS A 27 1.035 13.637 -2.640 1.00 32.55 C ATOM 431 O LYS A 27 1.405 14.108 -1.560 1.00 11.22 O ATOM 432 CB LYS A 27 -1.321 14.373 -2.139 1.00 41.34 C ATOM 433 CG LYS A 27 -2.630 15.007 -2.619 1.00 41.43 C ATOM 434 CD LYS A 27 -2.439 16.406 -3.225 1.00 75.31 C ATOM 435 CE LYS A 27 -2.184 16.371 -4.731 1.00 75.24 C ATOM 436 NZ LYS A 27 -1.977 17.734 -5.293 1.00 21.05 N ATOM 0 H LYS A 27 -0.997 13.331 -5.093 1.00 54.53 H new ATOM 0 HA LYS A 27 -0.141 14.944 -3.847 1.00 63.01 H new ATOM 0 HB2 LYS A 27 -1.556 13.454 -1.603 1.00 41.34 H new ATOM 0 HB3 LYS A 27 -0.850 15.047 -1.424 1.00 41.34 H new ATOM 0 HG2 LYS A 27 -3.090 14.356 -3.362 1.00 41.43 H new ATOM 0 HG3 LYS A 27 -3.323 15.073 -1.780 1.00 41.43 H new ATOM 0 HD2 LYS A 27 -3.326 17.007 -3.026 1.00 75.31 H new ATOM 0 HD3 LYS A 27 -1.602 16.899 -2.731 1.00 75.31 H new ATOM 0 HE2 LYS A 27 -1.307 15.757 -4.936 1.00 75.24 H new ATOM 0 HE3 LYS A 27 -3.029 15.897 -5.231 1.00 75.24 H new ATOM 0 HZ1 LYS A 27 -1.807 17.665 -6.317 1.00 21.05 H new ATOM 0 HZ2 LYS A 27 -2.824 18.313 -5.120 1.00 21.05 H new ATOM 0 HZ3 LYS A 27 -1.155 18.177 -4.835 1.00 21.05 H new ATOM 450 N ASP A 28 1.760 12.770 -3.350 1.00 41.33 N ATOM 451 CA ASP A 28 3.102 12.345 -2.942 1.00 33.42 C ATOM 452 C ASP A 28 3.064 11.638 -1.588 1.00 2.31 C ATOM 453 O ASP A 28 4.059 11.619 -0.857 1.00 2.11 O ATOM 454 CB ASP A 28 4.061 13.547 -2.880 1.00 2.23 C ATOM 455 CG ASP A 28 4.178 14.278 -4.209 1.00 24.34 C ATOM 456 OD1 ASP A 28 4.950 13.826 -5.077 1.00 54.11 O ATOM 457 OD2 ASP A 28 3.498 15.314 -4.392 1.00 10.01 O ATOM 0 H ASP A 28 1.437 12.345 -4.219 1.00 41.33 H new ATOM 0 HA ASP A 28 3.469 11.642 -3.690 1.00 33.42 H new ATOM 0 HB2 ASP A 28 3.714 14.244 -2.117 1.00 2.23 H new ATOM 0 HB3 ASP A 28 5.048 13.203 -2.572 1.00 2.23 H new ATOM 462 N GLY A 29 1.927 11.019 -1.281 1.00 54.23 N ATOM 463 CA GLY A 29 1.740 10.367 0.010 1.00 13.20 C ATOM 464 C GLY A 29 2.597 9.127 0.204 1.00 73.52 C ATOM 465 O GLY A 29 2.490 8.453 1.228 1.00 2.34 O ATOM 0 H GLY A 29 1.124 10.956 -1.907 1.00 54.23 H new ATOM 0 HA2 GLY A 29 1.966 11.080 0.802 1.00 13.20 H new ATOM 0 HA3 GLY A 29 0.691 10.092 0.119 1.00 13.20 H new ATOM 469 N PHE A 30 3.462 8.822 -0.760 1.00 54.34 N ATOM 470 CA PHE A 30 4.301 7.634 -0.681 1.00 10.23 C ATOM 471 C PHE A 30 5.542 7.914 0.158 1.00 40.44 C ATOM 472 O PHE A 30 6.407 8.700 -0.235 1.00 71.32 O ATOM 473 CB PHE A 30 4.700 7.150 -2.082 1.00 14.33 C ATOM 474 CG PHE A 30 5.606 5.944 -2.060 1.00 51.35 C ATOM 475 CD1 PHE A 30 5.179 4.750 -1.494 1.00 11.22 C ATOM 476 CD2 PHE A 30 6.890 6.009 -2.585 1.00 40.33 C ATOM 477 CE1 PHE A 30 6.011 3.648 -1.458 1.00 31.52 C ATOM 478 CE2 PHE A 30 7.724 4.910 -2.545 1.00 2.12 C ATOM 479 CZ PHE A 30 7.282 3.729 -1.983 1.00 51.05 C ATOM 0 H PHE A 30 3.599 9.381 -1.602 1.00 54.34 H new ATOM 0 HA PHE A 30 3.725 6.843 -0.200 1.00 10.23 H new ATOM 0 HB2 PHE A 30 3.799 6.909 -2.646 1.00 14.33 H new ATOM 0 HB3 PHE A 30 5.200 7.962 -2.611 1.00 14.33 H new ATOM 0 HD1 PHE A 30 4.185 4.682 -1.077 1.00 11.22 H new ATOM 0 HD2 PHE A 30 7.240 6.929 -3.029 1.00 40.33 H new ATOM 0 HE1 PHE A 30 5.665 2.724 -1.019 1.00 31.52 H new ATOM 0 HE2 PHE A 30 8.722 4.974 -2.953 1.00 2.12 H new ATOM 0 HZ PHE A 30 7.933 2.868 -1.955 1.00 51.05 H new ATOM 489 N ASN A 31 5.611 7.277 1.317 1.00 61.21 N ATOM 490 CA ASN A 31 6.756 7.397 2.211 1.00 50.40 C ATOM 491 C ASN A 31 7.210 6.000 2.619 1.00 63.21 C ATOM 492 O ASN A 31 6.612 5.382 3.505 1.00 63.13 O ATOM 493 CB ASN A 31 6.373 8.231 3.444 1.00 31.41 C ATOM 494 CG ASN A 31 7.537 8.502 4.389 1.00 52.45 C ATOM 495 OD1 ASN A 31 7.356 8.559 5.607 1.00 53.21 O ATOM 496 ND2 ASN A 31 8.728 8.713 3.846 1.00 73.34 N ATOM 0 H ASN A 31 4.876 6.662 1.666 1.00 61.21 H new ATOM 0 HA ASN A 31 7.576 7.905 1.703 1.00 50.40 H new ATOM 0 HB2 ASN A 31 5.957 9.183 3.113 1.00 31.41 H new ATOM 0 HB3 ASN A 31 5.586 7.713 3.991 1.00 31.41 H new ATOM 0 HD21 ASN A 31 9.528 8.930 4.440 1.00 73.34 H new ATOM 0 HD22 ASN A 31 8.844 8.658 2.834 1.00 73.34 H new ATOM 503 N GLU A 32 8.247 5.495 1.948 1.00 21.15 N ATOM 504 CA GLU A 32 8.684 4.108 2.120 1.00 42.13 C ATOM 505 C GLU A 32 8.968 3.792 3.586 1.00 51.02 C ATOM 506 O GLU A 32 8.544 2.754 4.091 1.00 34.24 O ATOM 507 CB GLU A 32 9.937 3.815 1.282 1.00 5.54 C ATOM 508 CG GLU A 32 10.322 2.336 1.269 1.00 42.12 C ATOM 509 CD GLU A 32 11.737 2.089 0.772 1.00 33.30 C ATOM 510 OE1 GLU A 32 11.974 2.178 -0.448 1.00 2.31 O ATOM 511 OE2 GLU A 32 12.622 1.802 1.610 1.00 40.11 O ATOM 0 H GLU A 32 8.802 6.028 1.278 1.00 21.15 H new ATOM 0 HA GLU A 32 7.869 3.472 1.776 1.00 42.13 H new ATOM 0 HB2 GLU A 32 9.767 4.148 0.258 1.00 5.54 H new ATOM 0 HB3 GLU A 32 10.772 4.397 1.673 1.00 5.54 H new ATOM 0 HG2 GLU A 32 10.222 1.933 2.277 1.00 42.12 H new ATOM 0 HG3 GLU A 32 9.621 1.791 0.637 1.00 42.12 H new ATOM 518 N GLU A 33 9.676 4.696 4.263 1.00 33.20 N ATOM 519 CA GLU A 33 10.054 4.491 5.661 1.00 22.10 C ATOM 520 C GLU A 33 8.821 4.212 6.525 1.00 22.24 C ATOM 521 O GLU A 33 8.868 3.386 7.438 1.00 12.03 O ATOM 522 CB GLU A 33 10.818 5.710 6.197 1.00 2.25 C ATOM 523 CG GLU A 33 9.999 6.992 6.204 1.00 63.14 C ATOM 524 CD GLU A 33 10.790 8.201 6.666 1.00 42.42 C ATOM 525 OE1 GLU A 33 10.891 8.423 7.890 1.00 63.44 O ATOM 526 OE2 GLU A 33 11.310 8.942 5.804 1.00 61.23 O ATOM 0 H GLU A 33 9.999 5.578 3.866 1.00 33.20 H new ATOM 0 HA GLU A 33 10.709 3.621 5.710 1.00 22.10 H new ATOM 0 HB2 GLU A 33 11.154 5.499 7.212 1.00 2.25 H new ATOM 0 HB3 GLU A 33 11.711 5.863 5.591 1.00 2.25 H new ATOM 0 HG2 GLU A 33 9.617 7.177 5.200 1.00 63.14 H new ATOM 0 HG3 GLU A 33 9.135 6.860 6.855 1.00 63.14 H new ATOM 533 N ALA A 34 7.716 4.887 6.211 1.00 53.03 N ATOM 534 CA ALA A 34 6.462 4.699 6.934 1.00 1.25 C ATOM 535 C ALA A 34 5.815 3.380 6.530 1.00 24.31 C ATOM 536 O ALA A 34 5.370 2.607 7.380 1.00 42.43 O ATOM 537 CB ALA A 34 5.515 5.863 6.667 1.00 71.21 C ATOM 0 H ALA A 34 7.666 5.572 5.457 1.00 53.03 H new ATOM 0 HA ALA A 34 6.675 4.668 8.002 1.00 1.25 H new ATOM 0 HB1 ALA A 34 4.585 5.708 7.213 1.00 71.21 H new ATOM 0 HB2 ALA A 34 5.979 6.793 6.997 1.00 71.21 H new ATOM 0 HB3 ALA A 34 5.303 5.922 5.599 1.00 71.21 H new ATOM 543 N PHE A 35 5.782 3.128 5.224 1.00 31.40 N ATOM 544 CA PHE A 35 5.213 1.897 4.683 1.00 41.05 C ATOM 545 C PHE A 35 5.849 0.674 5.340 1.00 41.12 C ATOM 546 O PHE A 35 5.159 -0.161 5.925 1.00 23.15 O ATOM 547 CB PHE A 35 5.422 1.843 3.159 1.00 11.24 C ATOM 548 CG PHE A 35 5.133 0.490 2.546 1.00 13.42 C ATOM 549 CD1 PHE A 35 3.828 0.075 2.321 1.00 72.11 C ATOM 550 CD2 PHE A 35 6.172 -0.370 2.197 1.00 4.41 C ATOM 551 CE1 PHE A 35 3.565 -1.164 1.765 1.00 23.30 C ATOM 552 CE2 PHE A 35 5.909 -1.608 1.641 1.00 32.21 C ATOM 553 CZ PHE A 35 4.606 -2.005 1.426 1.00 42.00 C ATOM 0 H PHE A 35 6.146 3.766 4.516 1.00 31.40 H new ATOM 0 HA PHE A 35 4.144 1.889 4.898 1.00 41.05 H new ATOM 0 HB2 PHE A 35 4.781 2.588 2.688 1.00 11.24 H new ATOM 0 HB3 PHE A 35 6.452 2.120 2.934 1.00 11.24 H new ATOM 0 HD1 PHE A 35 3.008 0.727 2.583 1.00 72.11 H new ATOM 0 HD2 PHE A 35 7.195 -0.066 2.363 1.00 4.41 H new ATOM 0 HE1 PHE A 35 2.544 -1.474 1.596 1.00 23.30 H new ATOM 0 HE2 PHE A 35 6.724 -2.264 1.375 1.00 32.21 H new ATOM 0 HZ PHE A 35 4.400 -2.973 0.993 1.00 42.00 H new ATOM 563 N LYS A 36 7.173 0.597 5.265 1.00 34.34 N ATOM 564 CA LYS A 36 7.914 -0.561 5.751 1.00 24.22 C ATOM 565 C LYS A 36 7.851 -0.660 7.276 1.00 35.31 C ATOM 566 O LYS A 36 8.101 -1.722 7.850 1.00 4.23 O ATOM 567 CB LYS A 36 9.370 -0.506 5.254 1.00 4.12 C ATOM 568 CG LYS A 36 10.185 0.671 5.791 1.00 13.10 C ATOM 569 CD LYS A 36 11.372 1.001 4.885 1.00 65.53 C ATOM 570 CE LYS A 36 12.259 -0.212 4.621 1.00 43.23 C ATOM 571 NZ LYS A 36 13.353 0.101 3.663 1.00 24.42 N ATOM 0 H LYS A 36 7.760 1.331 4.868 1.00 34.34 H new ATOM 0 HA LYS A 36 7.448 -1.461 5.350 1.00 24.22 H new ATOM 0 HB2 LYS A 36 9.870 -1.434 5.533 1.00 4.12 H new ATOM 0 HB3 LYS A 36 9.366 -0.461 4.165 1.00 4.12 H new ATOM 0 HG2 LYS A 36 9.542 1.547 5.881 1.00 13.10 H new ATOM 0 HG3 LYS A 36 10.546 0.436 6.792 1.00 13.10 H new ATOM 0 HD2 LYS A 36 11.004 1.391 3.936 1.00 65.53 H new ATOM 0 HD3 LYS A 36 11.968 1.790 5.344 1.00 65.53 H new ATOM 0 HE2 LYS A 36 12.688 -0.560 5.561 1.00 43.23 H new ATOM 0 HE3 LYS A 36 11.652 -1.027 4.226 1.00 43.23 H new ATOM 0 HZ1 LYS A 36 13.761 -0.784 3.301 1.00 24.42 H new ATOM 0 HZ2 LYS A 36 12.972 0.656 2.870 1.00 24.42 H new ATOM 0 HZ3 LYS A 36 14.092 0.650 4.147 1.00 24.42 H new ATOM 585 N ALA A 37 7.514 0.452 7.925 1.00 10.15 N ATOM 586 CA ALA A 37 7.365 0.484 9.375 1.00 70.02 C ATOM 587 C ALA A 37 6.031 -0.122 9.798 1.00 75.34 C ATOM 588 O ALA A 37 5.937 -0.783 10.833 1.00 50.21 O ATOM 589 CB ALA A 37 7.476 1.915 9.887 1.00 23.11 C ATOM 0 H ALA A 37 7.339 1.346 7.466 1.00 10.15 H new ATOM 0 HA ALA A 37 8.167 -0.112 9.812 1.00 70.02 H new ATOM 0 HB1 ALA A 37 7.363 1.923 10.971 1.00 23.11 H new ATOM 0 HB2 ALA A 37 8.452 2.322 9.621 1.00 23.11 H new ATOM 0 HB3 ALA A 37 6.693 2.525 9.436 1.00 23.11 H new ATOM 595 N ARG A 38 5.000 0.103 8.985 1.00 70.42 N ATOM 596 CA ARG A 38 3.646 -0.344 9.314 1.00 3.44 C ATOM 597 C ARG A 38 3.337 -1.690 8.661 1.00 22.31 C ATOM 598 O ARG A 38 2.414 -2.397 9.081 1.00 20.03 O ATOM 599 CB ARG A 38 2.616 0.703 8.862 1.00 74.03 C ATOM 600 CG ARG A 38 2.920 2.121 9.339 1.00 21.01 C ATOM 601 CD ARG A 38 3.043 2.210 10.856 1.00 60.31 C ATOM 602 NE ARG A 38 3.386 3.564 11.296 1.00 51.20 N ATOM 603 CZ ARG A 38 3.741 3.882 12.543 1.00 3.34 C ATOM 604 NH1 ARG A 38 3.823 2.946 13.480 1.00 41.41 N ATOM 605 NH2 ARG A 38 4.033 5.140 12.843 1.00 41.04 N ATOM 0 H ARG A 38 5.076 0.592 8.093 1.00 70.42 H new ATOM 0 HA ARG A 38 3.586 -0.465 10.396 1.00 3.44 H new ATOM 0 HB2 ARG A 38 2.565 0.700 7.773 1.00 74.03 H new ATOM 0 HB3 ARG A 38 1.632 0.411 9.228 1.00 74.03 H new ATOM 0 HG2 ARG A 38 3.848 2.464 8.881 1.00 21.01 H new ATOM 0 HG3 ARG A 38 2.130 2.792 9.001 1.00 21.01 H new ATOM 0 HD2 ARG A 38 2.102 1.906 11.315 1.00 60.31 H new ATOM 0 HD3 ARG A 38 3.806 1.512 11.200 1.00 60.31 H new ATOM 0 HE ARG A 38 3.351 4.313 10.605 1.00 51.20 H new ATOM 0 HH11 ARG A 38 3.614 1.974 13.250 1.00 41.41 H new ATOM 0 HH12 ARG A 38 4.095 3.198 14.430 1.00 41.41 H new ATOM 0 HH21 ARG A 38 3.986 5.860 12.122 1.00 41.04 H new ATOM 0 HH22 ARG A 38 4.305 5.388 13.794 1.00 41.04 H new ATOM 619 N TYR A 39 4.104 -2.039 7.630 1.00 10.34 N ATOM 620 CA TYR A 39 3.880 -3.275 6.880 1.00 73.12 C ATOM 621 C TYR A 39 4.173 -4.500 7.747 1.00 3.14 C ATOM 622 O TYR A 39 5.051 -4.465 8.613 1.00 45.05 O ATOM 623 CB TYR A 39 4.749 -3.302 5.610 1.00 52.42 C ATOM 624 CG TYR A 39 4.514 -4.519 4.729 1.00 32.02 C ATOM 625 CD1 TYR A 39 3.358 -4.638 3.963 1.00 41.10 C ATOM 626 CD2 TYR A 39 5.446 -5.551 4.667 1.00 22.40 C ATOM 627 CE1 TYR A 39 3.142 -5.744 3.163 1.00 33.21 C ATOM 628 CE2 TYR A 39 5.236 -6.659 3.868 1.00 12.34 C ATOM 629 CZ TYR A 39 4.083 -6.750 3.119 1.00 61.12 C ATOM 630 OH TYR A 39 3.868 -7.851 2.323 1.00 73.53 O ATOM 0 H TYR A 39 4.889 -1.482 7.293 1.00 10.34 H new ATOM 0 HA TYR A 39 2.831 -3.305 6.586 1.00 73.12 H new ATOM 0 HB2 TYR A 39 4.553 -2.401 5.028 1.00 52.42 H new ATOM 0 HB3 TYR A 39 5.799 -3.272 5.900 1.00 52.42 H new ATOM 0 HD1 TYR A 39 2.617 -3.853 3.994 1.00 41.10 H new ATOM 0 HD2 TYR A 39 6.350 -5.485 5.254 1.00 22.40 H new ATOM 0 HE1 TYR A 39 2.239 -5.820 2.575 1.00 33.21 H new ATOM 0 HE2 TYR A 39 5.971 -7.449 3.831 1.00 12.34 H new ATOM 0 HH TYR A 39 4.626 -8.467 2.404 1.00 73.53 H new ATOM 640 N SER A 40 3.434 -5.577 7.504 1.00 71.32 N ATOM 641 CA SER A 40 3.594 -6.815 8.253 1.00 54.23 C ATOM 642 C SER A 40 3.280 -8.014 7.362 1.00 2.24 C ATOM 643 O SER A 40 2.727 -7.858 6.268 1.00 11.22 O ATOM 644 CB SER A 40 2.682 -6.810 9.487 1.00 23.11 C ATOM 645 OG SER A 40 2.804 -8.015 10.218 1.00 22.00 O ATOM 0 H SER A 40 2.711 -5.615 6.786 1.00 71.32 H new ATOM 0 HA SER A 40 4.629 -6.893 8.587 1.00 54.23 H new ATOM 0 HB2 SER A 40 2.937 -5.966 10.127 1.00 23.11 H new ATOM 0 HB3 SER A 40 1.646 -6.673 9.176 1.00 23.11 H new ATOM 0 HG SER A 40 2.214 -7.985 11.000 1.00 22.00 H new ATOM 651 N ASP A 41 3.612 -9.211 7.843 1.00 42.45 N ATOM 652 CA ASP A 41 3.426 -10.442 7.073 1.00 72.40 C ATOM 653 C ASP A 41 1.940 -10.722 6.863 1.00 25.34 C ATOM 654 O ASP A 41 1.550 -11.390 5.901 1.00 21.43 O ATOM 655 CB ASP A 41 4.088 -11.630 7.788 1.00 22.41 C ATOM 656 CG ASP A 41 3.375 -12.018 9.077 1.00 62.33 C ATOM 657 OD1 ASP A 41 3.399 -11.223 10.040 1.00 5.02 O ATOM 658 OD2 ASP A 41 2.791 -13.122 9.138 1.00 32.35 O ATOM 0 H ASP A 41 4.014 -9.356 8.769 1.00 42.45 H new ATOM 0 HA ASP A 41 3.899 -10.310 6.100 1.00 72.40 H new ATOM 0 HB2 ASP A 41 4.106 -12.488 7.116 1.00 22.41 H new ATOM 0 HB3 ASP A 41 5.125 -11.380 8.013 1.00 22.41 H new ATOM 663 N ILE A 42 1.116 -10.193 7.768 1.00 22.12 N ATOM 664 CA ILE A 42 -0.337 -10.357 7.700 1.00 44.14 C ATOM 665 C ILE A 42 -0.899 -9.743 6.410 1.00 64.41 C ATOM 666 O ILE A 42 -1.942 -10.170 5.900 1.00 72.41 O ATOM 667 CB ILE A 42 -1.025 -9.707 8.939 1.00 64.05 C ATOM 668 CG1 ILE A 42 -2.541 -9.984 8.948 1.00 1.51 C ATOM 669 CG2 ILE A 42 -0.750 -8.204 8.989 1.00 61.22 C ATOM 670 CD1 ILE A 42 -2.894 -11.446 9.137 1.00 62.12 C ATOM 0 H ILE A 42 1.434 -9.642 8.565 1.00 22.12 H new ATOM 0 HA ILE A 42 -0.550 -11.426 7.699 1.00 44.14 H new ATOM 0 HB ILE A 42 -0.597 -10.163 9.832 1.00 64.05 H new ATOM 0 HG12 ILE A 42 -3.003 -9.402 9.746 1.00 1.51 H new ATOM 0 HG13 ILE A 42 -2.970 -9.634 8.009 1.00 1.51 H new ATOM 0 HG21 ILE A 42 -1.240 -7.773 9.862 1.00 61.22 H new ATOM 0 HG22 ILE A 42 0.324 -8.033 9.055 1.00 61.22 H new ATOM 0 HG23 ILE A 42 -1.138 -7.733 8.086 1.00 61.22 H new ATOM 0 HD11 ILE A 42 -3.978 -11.562 9.133 1.00 62.12 H new ATOM 0 HD12 ILE A 42 -2.463 -12.032 8.326 1.00 62.12 H new ATOM 0 HD13 ILE A 42 -2.496 -11.796 10.089 1.00 62.12 H new ATOM 682 N LEU A 43 -0.179 -8.761 5.871 1.00 41.43 N ATOM 683 CA LEU A 43 -0.635 -8.005 4.706 1.00 52.22 C ATOM 684 C LEU A 43 -0.103 -8.607 3.401 1.00 52.43 C ATOM 685 O LEU A 43 -0.570 -8.263 2.314 1.00 2.23 O ATOM 686 CB LEU A 43 -0.180 -6.543 4.826 1.00 1.32 C ATOM 687 CG LEU A 43 -0.693 -5.784 6.063 1.00 14.42 C ATOM 688 CD1 LEU A 43 -0.123 -4.364 6.101 1.00 21.14 C ATOM 689 CD2 LEU A 43 -2.222 -5.754 6.080 1.00 63.23 C ATOM 0 H LEU A 43 0.731 -8.468 6.227 1.00 41.43 H new ATOM 0 HA LEU A 43 -1.724 -8.053 4.679 1.00 52.22 H new ATOM 0 HB2 LEU A 43 0.910 -6.520 4.835 1.00 1.32 H new ATOM 0 HB3 LEU A 43 -0.503 -6.007 3.934 1.00 1.32 H new ATOM 0 HG LEU A 43 -0.352 -6.311 6.954 1.00 14.42 H new ATOM 0 HD11 LEU A 43 -0.498 -3.845 6.983 1.00 21.14 H new ATOM 0 HD12 LEU A 43 0.965 -4.410 6.142 1.00 21.14 H new ATOM 0 HD13 LEU A 43 -0.430 -3.825 5.205 1.00 21.14 H new ATOM 0 HD21 LEU A 43 -2.566 -5.213 6.962 1.00 63.23 H new ATOM 0 HD22 LEU A 43 -2.586 -5.254 5.183 1.00 63.23 H new ATOM 0 HD23 LEU A 43 -2.606 -6.774 6.108 1.00 63.23 H new ATOM 701 N ASN A 44 0.855 -9.520 3.519 1.00 50.11 N ATOM 702 CA ASN A 44 1.558 -10.075 2.353 1.00 1.12 C ATOM 703 C ASN A 44 0.612 -10.872 1.445 1.00 74.13 C ATOM 704 O ASN A 44 0.885 -11.056 0.260 1.00 25.23 O ATOM 705 CB ASN A 44 2.725 -10.962 2.828 1.00 62.04 C ATOM 706 CG ASN A 44 3.623 -11.459 1.698 1.00 41.14 C ATOM 707 OD1 ASN A 44 3.758 -10.817 0.658 1.00 43.31 O ATOM 708 ND2 ASN A 44 4.260 -12.603 1.909 1.00 63.04 N ATOM 0 H ASN A 44 1.169 -9.897 4.413 1.00 50.11 H new ATOM 0 HA ASN A 44 1.948 -9.245 1.764 1.00 1.12 H new ATOM 0 HB2 ASN A 44 3.330 -10.400 3.539 1.00 62.04 H new ATOM 0 HB3 ASN A 44 2.321 -11.822 3.363 1.00 62.04 H new ATOM 0 HD21 ASN A 44 4.886 -12.977 1.196 1.00 63.04 H new ATOM 0 HD22 ASN A 44 4.124 -13.109 2.784 1.00 63.04 H new ATOM 715 N LYS A 45 -0.508 -11.329 2.001 1.00 4.03 N ATOM 716 CA LYS A 45 -1.454 -12.158 1.249 1.00 60.44 C ATOM 717 C LYS A 45 -2.362 -11.324 0.339 1.00 70.15 C ATOM 718 O LYS A 45 -3.052 -11.870 -0.520 1.00 30.35 O ATOM 719 CB LYS A 45 -2.322 -12.984 2.208 1.00 10.41 C ATOM 720 CG LYS A 45 -3.125 -12.141 3.199 1.00 24.12 C ATOM 721 CD LYS A 45 -4.257 -12.945 3.836 1.00 40.24 C ATOM 722 CE LYS A 45 -4.942 -12.178 4.963 1.00 15.51 C ATOM 723 NZ LYS A 45 -4.046 -11.987 6.138 1.00 20.21 N ATOM 0 H LYS A 45 -0.784 -11.142 2.965 1.00 4.03 H new ATOM 0 HA LYS A 45 -0.860 -12.820 0.619 1.00 60.44 H new ATOM 0 HB2 LYS A 45 -3.011 -13.595 1.624 1.00 10.41 H new ATOM 0 HB3 LYS A 45 -1.681 -13.669 2.764 1.00 10.41 H new ATOM 0 HG2 LYS A 45 -2.462 -11.765 3.978 1.00 24.12 H new ATOM 0 HG3 LYS A 45 -3.539 -11.273 2.687 1.00 24.12 H new ATOM 0 HD2 LYS A 45 -4.992 -13.202 3.074 1.00 40.24 H new ATOM 0 HD3 LYS A 45 -3.861 -13.883 4.225 1.00 40.24 H new ATOM 0 HE2 LYS A 45 -5.267 -11.205 4.594 1.00 15.51 H new ATOM 0 HE3 LYS A 45 -5.838 -12.716 5.274 1.00 15.51 H new ATOM 0 HZ1 LYS A 45 -4.620 -11.813 6.988 1.00 20.21 H new ATOM 0 HZ2 LYS A 45 -3.470 -12.842 6.278 1.00 20.21 H new ATOM 0 HZ3 LYS A 45 -3.421 -11.173 5.970 1.00 20.21 H new ATOM 737 N TYR A 46 -2.371 -10.008 0.535 1.00 3.22 N ATOM 738 CA TYR A 46 -3.279 -9.133 -0.210 1.00 72.32 C ATOM 739 C TYR A 46 -2.771 -8.854 -1.623 1.00 22.12 C ATOM 740 O TYR A 46 -3.563 -8.712 -2.555 1.00 14.43 O ATOM 741 CB TYR A 46 -3.490 -7.811 0.539 1.00 55.03 C ATOM 742 CG TYR A 46 -4.344 -7.934 1.790 1.00 71.01 C ATOM 743 CD1 TYR A 46 -5.729 -8.022 1.699 1.00 3.42 C ATOM 744 CD2 TYR A 46 -3.771 -7.945 3.056 1.00 64.43 C ATOM 745 CE1 TYR A 46 -6.517 -8.114 2.832 1.00 50.03 C ATOM 746 CE2 TYR A 46 -4.553 -8.042 4.193 1.00 33.20 C ATOM 747 CZ TYR A 46 -5.924 -8.125 4.075 1.00 63.11 C ATOM 748 OH TYR A 46 -6.706 -8.203 5.208 1.00 32.42 O ATOM 0 H TYR A 46 -1.765 -9.524 1.198 1.00 3.22 H new ATOM 0 HA TYR A 46 -4.232 -9.656 -0.294 1.00 72.32 H new ATOM 0 HB2 TYR A 46 -2.517 -7.403 0.815 1.00 55.03 H new ATOM 0 HB3 TYR A 46 -3.956 -7.094 -0.137 1.00 55.03 H new ATOM 0 HD1 TYR A 46 -6.198 -8.018 0.726 1.00 3.42 H new ATOM 0 HD2 TYR A 46 -2.698 -7.877 3.154 1.00 64.43 H new ATOM 0 HE1 TYR A 46 -7.591 -8.177 2.742 1.00 50.03 H new ATOM 0 HE2 TYR A 46 -4.091 -8.053 5.169 1.00 33.20 H new ATOM 0 HH TYR A 46 -6.132 -8.201 6.002 1.00 32.42 H new ATOM 758 N ASP A 47 -1.449 -8.765 -1.766 1.00 20.31 N ATOM 759 CA ASP A 47 -0.806 -8.398 -3.037 1.00 73.12 C ATOM 760 C ASP A 47 -1.096 -6.938 -3.409 1.00 34.21 C ATOM 761 O ASP A 47 -0.630 -6.451 -4.442 1.00 51.33 O ATOM 762 CB ASP A 47 -1.237 -9.334 -4.190 1.00 10.41 C ATOM 763 CG ASP A 47 -0.610 -10.717 -4.106 1.00 72.23 C ATOM 764 OD1 ASP A 47 -1.132 -11.582 -3.370 1.00 73.14 O ATOM 765 OD2 ASP A 47 0.410 -10.959 -4.786 1.00 2.03 O ATOM 0 H ASP A 47 -0.790 -8.944 -1.008 1.00 20.31 H new ATOM 0 HA ASP A 47 0.268 -8.513 -2.890 1.00 73.12 H new ATOM 0 HB2 ASP A 47 -2.322 -9.433 -4.182 1.00 10.41 H new ATOM 0 HB3 ASP A 47 -0.966 -8.876 -5.141 1.00 10.41 H new ATOM 770 N TYR A 48 -1.846 -6.240 -2.555 1.00 31.21 N ATOM 771 CA TYR A 48 -2.146 -4.822 -2.738 1.00 70.34 C ATOM 772 C TYR A 48 -2.200 -4.129 -1.386 1.00 31.11 C ATOM 773 O TYR A 48 -3.053 -4.444 -0.551 1.00 24.23 O ATOM 774 CB TYR A 48 -3.481 -4.620 -3.472 1.00 31.10 C ATOM 775 CG TYR A 48 -3.389 -4.774 -4.976 1.00 21.24 C ATOM 776 CD1 TYR A 48 -3.067 -3.687 -5.779 1.00 15.41 C ATOM 777 CD2 TYR A 48 -3.629 -5.998 -5.592 1.00 23.14 C ATOM 778 CE1 TYR A 48 -2.985 -3.814 -7.150 1.00 62.31 C ATOM 779 CE2 TYR A 48 -3.547 -6.131 -6.963 1.00 4.32 C ATOM 780 CZ TYR A 48 -3.226 -5.035 -7.736 1.00 35.11 C ATOM 781 OH TYR A 48 -3.137 -5.161 -9.103 1.00 74.22 O ATOM 0 H TYR A 48 -2.262 -6.644 -1.716 1.00 31.21 H new ATOM 0 HA TYR A 48 -1.353 -4.387 -3.347 1.00 70.34 H new ATOM 0 HB2 TYR A 48 -4.207 -5.337 -3.088 1.00 31.10 H new ATOM 0 HB3 TYR A 48 -3.863 -3.625 -3.242 1.00 31.10 H new ATOM 0 HD1 TYR A 48 -2.878 -2.727 -5.322 1.00 15.41 H new ATOM 0 HD2 TYR A 48 -3.883 -6.857 -4.988 1.00 23.14 H new ATOM 0 HE1 TYR A 48 -2.733 -2.959 -7.760 1.00 62.31 H new ATOM 0 HE2 TYR A 48 -3.733 -7.088 -7.428 1.00 4.32 H new ATOM 0 HH TYR A 48 -3.859 -5.740 -9.426 1.00 74.22 H new ATOM 791 N ILE A 49 -1.281 -3.198 -1.170 1.00 10.51 N ATOM 792 CA ILE A 49 -1.211 -2.454 0.082 1.00 11.25 C ATOM 793 C ILE A 49 -1.392 -0.967 -0.187 1.00 12.12 C ATOM 794 O ILE A 49 -0.608 -0.361 -0.923 1.00 10.03 O ATOM 795 CB ILE A 49 0.140 -2.679 0.813 1.00 34.15 C ATOM 796 CG1 ILE A 49 0.424 -4.184 0.974 1.00 45.13 C ATOM 797 CG2 ILE A 49 0.136 -1.979 2.176 1.00 12.40 C ATOM 798 CD1 ILE A 49 -0.657 -4.934 1.726 1.00 71.14 C ATOM 0 H ILE A 49 -0.568 -2.938 -1.851 1.00 10.51 H new ATOM 0 HA ILE A 49 -2.012 -2.820 0.725 1.00 11.25 H new ATOM 0 HB ILE A 49 0.936 -2.245 0.208 1.00 34.15 H new ATOM 0 HG12 ILE A 49 0.542 -4.630 -0.014 1.00 45.13 H new ATOM 0 HG13 ILE A 49 1.372 -4.311 1.497 1.00 45.13 H new ATOM 0 HG21 ILE A 49 1.091 -2.147 2.674 1.00 12.40 H new ATOM 0 HG22 ILE A 49 -0.016 -0.909 2.035 1.00 12.40 H new ATOM 0 HG23 ILE A 49 -0.670 -2.382 2.790 1.00 12.40 H new ATOM 0 HD11 ILE A 49 -0.386 -5.987 1.799 1.00 71.14 H new ATOM 0 HD12 ILE A 49 -0.761 -4.516 2.727 1.00 71.14 H new ATOM 0 HD13 ILE A 49 -1.603 -4.839 1.194 1.00 71.14 H new ATOM 810 N VAL A 50 -2.438 -0.387 0.396 1.00 61.15 N ATOM 811 CA VAL A 50 -2.729 1.030 0.221 1.00 21.34 C ATOM 812 C VAL A 50 -2.520 1.780 1.532 1.00 43.43 C ATOM 813 O VAL A 50 -3.112 1.431 2.551 1.00 21.43 O ATOM 814 CB VAL A 50 -4.179 1.250 -0.267 1.00 40.53 C ATOM 815 CG1 VAL A 50 -4.440 2.731 -0.549 1.00 53.23 C ATOM 816 CG2 VAL A 50 -4.461 0.393 -1.502 1.00 32.24 C ATOM 0 H VAL A 50 -3.099 -0.880 0.996 1.00 61.15 H new ATOM 0 HA VAL A 50 -2.045 1.415 -0.535 1.00 21.34 H new ATOM 0 HB VAL A 50 -4.861 0.940 0.524 1.00 40.53 H new ATOM 0 HG11 VAL A 50 -5.467 2.861 -0.891 1.00 53.23 H new ATOM 0 HG12 VAL A 50 -4.286 3.308 0.363 1.00 53.23 H new ATOM 0 HG13 VAL A 50 -3.754 3.081 -1.320 1.00 53.23 H new ATOM 0 HG21 VAL A 50 -5.486 0.559 -1.834 1.00 32.24 H new ATOM 0 HG22 VAL A 50 -3.772 0.668 -2.301 1.00 32.24 H new ATOM 0 HG23 VAL A 50 -4.326 -0.660 -1.253 1.00 32.24 H new ATOM 826 N GLY A 51 -1.672 2.798 1.503 1.00 71.05 N ATOM 827 CA GLY A 51 -1.422 3.602 2.684 1.00 50.41 C ATOM 828 C GLY A 51 -1.799 5.050 2.469 1.00 23.11 C ATOM 829 O GLY A 51 -1.386 5.653 1.478 1.00 64.13 O ATOM 0 H GLY A 51 -1.148 3.084 0.676 1.00 71.05 H new ATOM 0 HA2 GLY A 51 -1.989 3.200 3.524 1.00 50.41 H new ATOM 0 HA3 GLY A 51 -0.367 3.537 2.951 1.00 50.41 H new ATOM 833 N ASP A 52 -2.591 5.597 3.385 1.00 2.05 N ATOM 834 CA ASP A 52 -3.007 6.999 3.331 1.00 3.20 C ATOM 835 C ASP A 52 -2.679 7.682 4.648 1.00 71.34 C ATOM 836 O ASP A 52 -2.719 7.057 5.710 1.00 44.34 O ATOM 837 CB ASP A 52 -4.513 7.115 3.027 1.00 64.14 C ATOM 838 CG ASP A 52 -5.065 8.536 3.180 1.00 12.25 C ATOM 839 OD1 ASP A 52 -4.428 9.499 2.688 1.00 40.30 O ATOM 840 OD2 ASP A 52 -6.150 8.689 3.784 1.00 23.21 O ATOM 0 H ASP A 52 -2.963 5.085 4.185 1.00 2.05 H new ATOM 0 HA ASP A 52 -2.463 7.493 2.526 1.00 3.20 H new ATOM 0 HB2 ASP A 52 -4.697 6.771 2.009 1.00 64.14 H new ATOM 0 HB3 ASP A 52 -5.061 6.448 3.692 1.00 64.14 H new ATOM 845 N TRP A 53 -2.332 8.958 4.567 1.00 45.02 N ATOM 846 CA TRP A 53 -1.991 9.741 5.748 1.00 3.33 C ATOM 847 C TRP A 53 -3.243 10.318 6.398 1.00 53.01 C ATOM 848 O TRP A 53 -3.327 10.404 7.625 1.00 70.32 O ATOM 849 CB TRP A 53 -1.024 10.875 5.382 1.00 15.31 C ATOM 850 CG TRP A 53 0.340 10.395 4.982 1.00 33.44 C ATOM 851 CD1 TRP A 53 0.743 10.004 3.736 1.00 1.30 C ATOM 852 CD2 TRP A 53 1.483 10.257 5.835 1.00 43.21 C ATOM 853 NE1 TRP A 53 2.065 9.631 3.764 1.00 32.02 N ATOM 854 CE2 TRP A 53 2.541 9.779 5.041 1.00 31.45 C ATOM 855 CE3 TRP A 53 1.716 10.495 7.193 1.00 41.51 C ATOM 856 CZ2 TRP A 53 3.810 9.533 5.560 1.00 62.23 C ATOM 857 CZ3 TRP A 53 2.974 10.249 7.706 1.00 13.42 C ATOM 858 CH2 TRP A 53 4.008 9.773 6.891 1.00 32.23 C ATOM 0 H TRP A 53 -2.279 9.477 3.690 1.00 45.02 H new ATOM 0 HA TRP A 53 -1.504 9.076 6.461 1.00 3.33 H new ATOM 0 HB2 TRP A 53 -1.450 11.455 4.564 1.00 15.31 H new ATOM 0 HB3 TRP A 53 -0.928 11.548 6.234 1.00 15.31 H new ATOM 0 HD1 TRP A 53 0.114 9.990 2.858 1.00 1.30 H new ATOM 0 HE1 TRP A 53 2.604 9.298 2.965 1.00 32.02 H new ATOM 0 HE3 TRP A 53 0.926 10.865 7.830 1.00 41.51 H new ATOM 0 HZ2 TRP A 53 4.609 9.166 4.933 1.00 62.23 H new ATOM 0 HZ3 TRP A 53 3.164 10.427 8.754 1.00 13.42 H new ATOM 0 HH2 TRP A 53 4.981 9.592 7.322 1.00 32.23 H new ATOM 869 N GLY A 54 -4.213 10.705 5.574 1.00 51.42 N ATOM 870 CA GLY A 54 -5.401 11.383 6.073 1.00 12.01 C ATOM 871 C GLY A 54 -5.053 12.667 6.815 1.00 51.15 C ATOM 872 O GLY A 54 -5.095 13.757 6.246 1.00 31.24 O ATOM 0 H GLY A 54 -4.199 10.561 4.564 1.00 51.42 H new ATOM 0 HA2 GLY A 54 -6.064 11.614 5.239 1.00 12.01 H new ATOM 0 HA3 GLY A 54 -5.947 10.715 6.739 1.00 12.01 H new ATOM 876 N TYR A 55 -4.690 12.525 8.091 1.00 74.24 N ATOM 877 CA TYR A 55 -4.279 13.654 8.930 1.00 33.51 C ATOM 878 C TYR A 55 -2.926 13.357 9.577 1.00 10.42 C ATOM 879 O TYR A 55 -2.595 13.890 10.640 1.00 64.41 O ATOM 880 CB TYR A 55 -5.332 13.928 10.012 1.00 42.24 C ATOM 881 CG TYR A 55 -6.685 14.313 9.456 1.00 73.02 C ATOM 882 CD1 TYR A 55 -6.947 15.622 9.062 1.00 14.31 C ATOM 883 CD2 TYR A 55 -7.701 13.374 9.325 1.00 31.05 C ATOM 884 CE1 TYR A 55 -8.182 15.979 8.556 1.00 10.34 C ATOM 885 CE2 TYR A 55 -8.935 13.725 8.818 1.00 44.01 C ATOM 886 CZ TYR A 55 -9.172 15.028 8.436 1.00 30.53 C ATOM 887 OH TYR A 55 -10.402 15.379 7.931 1.00 13.03 O ATOM 0 H TYR A 55 -4.672 11.626 8.572 1.00 74.24 H new ATOM 0 HA TYR A 55 -4.187 14.541 8.303 1.00 33.51 H new ATOM 0 HB2 TYR A 55 -5.443 13.039 10.633 1.00 42.24 H new ATOM 0 HB3 TYR A 55 -4.974 14.727 10.661 1.00 42.24 H new ATOM 0 HD1 TYR A 55 -6.173 16.370 9.153 1.00 14.31 H new ATOM 0 HD2 TYR A 55 -7.521 12.352 9.625 1.00 31.05 H new ATOM 0 HE1 TYR A 55 -8.371 16.999 8.256 1.00 10.34 H new ATOM 0 HE2 TYR A 55 -9.712 12.982 8.721 1.00 44.01 H new ATOM 0 HH TYR A 55 -10.985 14.591 7.912 1.00 13.03 H new ATOM 897 N GLY A 56 -2.145 12.504 8.920 1.00 74.10 N ATOM 898 CA GLY A 56 -0.842 12.115 9.436 1.00 34.35 C ATOM 899 C GLY A 56 -0.863 10.724 10.039 1.00 75.21 C ATOM 900 O GLY A 56 0.149 10.240 10.550 1.00 11.34 O ATOM 0 H GLY A 56 -2.394 12.071 8.031 1.00 74.10 H new ATOM 0 HA2 GLY A 56 -0.108 12.150 8.631 1.00 34.35 H new ATOM 0 HA3 GLY A 56 -0.522 12.833 10.191 1.00 34.35 H new ATOM 904 N GLN A 57 -2.023 10.078 9.966 1.00 44.04 N ATOM 905 CA GLN A 57 -2.210 8.739 10.513 1.00 71.43 C ATOM 906 C GLN A 57 -1.928 7.699 9.431 1.00 25.42 C ATOM 907 O GLN A 57 -2.852 7.128 8.847 1.00 75.13 O ATOM 908 CB GLN A 57 -3.644 8.578 11.049 1.00 4.22 C ATOM 909 CG GLN A 57 -4.081 9.694 11.993 1.00 43.52 C ATOM 910 CD GLN A 57 -5.500 9.513 12.509 1.00 63.25 C ATOM 911 OE1 GLN A 57 -6.353 8.932 11.837 1.00 70.32 O ATOM 912 NE2 GLN A 57 -5.767 10.022 13.698 1.00 25.33 N ATOM 0 H GLN A 57 -2.857 10.467 9.527 1.00 44.04 H new ATOM 0 HA GLN A 57 -1.515 8.590 11.339 1.00 71.43 H new ATOM 0 HB2 GLN A 57 -4.334 8.538 10.206 1.00 4.22 H new ATOM 0 HB3 GLN A 57 -3.721 7.624 11.570 1.00 4.22 H new ATOM 0 HG2 GLN A 57 -3.395 9.736 12.839 1.00 43.52 H new ATOM 0 HG3 GLN A 57 -4.008 10.650 11.475 1.00 43.52 H new ATOM 0 HE21 GLN A 57 -5.034 10.497 14.226 1.00 25.33 H new ATOM 0 HE22 GLN A 57 -6.706 9.941 14.089 1.00 25.33 H new ATOM 921 N LEU A 58 -0.646 7.483 9.146 1.00 75.23 N ATOM 922 CA LEU A 58 -0.239 6.568 8.084 1.00 32.14 C ATOM 923 C LEU A 58 -0.594 5.132 8.465 1.00 72.33 C ATOM 924 O LEU A 58 0.126 4.472 9.220 1.00 64.31 O ATOM 925 CB LEU A 58 1.273 6.711 7.794 1.00 60.42 C ATOM 926 CG LEU A 58 1.793 6.063 6.484 1.00 54.15 C ATOM 927 CD1 LEU A 58 1.872 4.541 6.586 1.00 23.23 C ATOM 928 CD2 LEU A 58 0.923 6.469 5.295 1.00 71.51 C ATOM 0 H LEU A 58 0.129 7.930 9.636 1.00 75.23 H new ATOM 0 HA LEU A 58 -0.778 6.823 7.172 1.00 32.14 H new ATOM 0 HB2 LEU A 58 1.516 7.773 7.769 1.00 60.42 H new ATOM 0 HB3 LEU A 58 1.823 6.278 8.630 1.00 60.42 H new ATOM 0 HG LEU A 58 2.805 6.435 6.326 1.00 54.15 H new ATOM 0 HD11 LEU A 58 2.241 4.132 5.645 1.00 23.23 H new ATOM 0 HD12 LEU A 58 2.551 4.265 7.393 1.00 23.23 H new ATOM 0 HD13 LEU A 58 0.880 4.138 6.793 1.00 23.23 H new ATOM 0 HD21 LEU A 58 1.307 6.003 4.387 1.00 71.51 H new ATOM 0 HD22 LEU A 58 -0.102 6.141 5.466 1.00 71.51 H new ATOM 0 HD23 LEU A 58 0.943 7.553 5.183 1.00 71.51 H new ATOM 940 N ARG A 59 -1.730 4.670 7.958 1.00 5.43 N ATOM 941 CA ARG A 59 -2.175 3.296 8.157 1.00 30.14 C ATOM 942 C ARG A 59 -2.242 2.577 6.818 1.00 71.20 C ATOM 943 O ARG A 59 -2.530 3.192 5.789 1.00 32.13 O ATOM 944 CB ARG A 59 -3.550 3.254 8.839 1.00 31.52 C ATOM 945 CG ARG A 59 -3.528 3.646 10.316 1.00 44.51 C ATOM 946 CD ARG A 59 -4.905 3.500 10.954 1.00 3.13 C ATOM 947 NE ARG A 59 -5.513 2.201 10.644 1.00 63.33 N ATOM 948 CZ ARG A 59 -6.378 1.561 11.427 1.00 73.51 C ATOM 949 NH1 ARG A 59 -6.686 2.034 12.629 1.00 62.45 N ATOM 950 NH2 ARG A 59 -6.912 0.424 11.012 1.00 21.05 N ATOM 0 H ARG A 59 -2.368 5.236 7.398 1.00 5.43 H new ATOM 0 HA ARG A 59 -1.456 2.795 8.805 1.00 30.14 H new ATOM 0 HB2 ARG A 59 -4.228 3.922 8.307 1.00 31.52 H new ATOM 0 HB3 ARG A 59 -3.958 2.247 8.748 1.00 31.52 H new ATOM 0 HG2 ARG A 59 -2.811 3.021 10.849 1.00 44.51 H new ATOM 0 HG3 ARG A 59 -3.188 4.677 10.415 1.00 44.51 H new ATOM 0 HD2 ARG A 59 -4.819 3.613 12.035 1.00 3.13 H new ATOM 0 HD3 ARG A 59 -5.556 4.300 10.601 1.00 3.13 H new ATOM 0 HE ARG A 59 -5.254 1.756 9.764 1.00 63.33 H new ATOM 0 HH11 ARG A 59 -6.258 2.898 12.962 1.00 62.45 H new ATOM 0 HH12 ARG A 59 -7.351 1.534 13.219 1.00 62.45 H new ATOM 0 HH21 ARG A 59 -6.660 0.045 10.099 1.00 21.05 H new ATOM 0 HH22 ARG A 59 -7.576 -0.074 11.605 1.00 21.05 H new ATOM 964 N LEU A 60 -1.969 1.278 6.835 1.00 35.41 N ATOM 965 CA LEU A 60 -2.028 0.461 5.631 1.00 13.13 C ATOM 966 C LEU A 60 -3.320 -0.347 5.612 1.00 24.15 C ATOM 967 O LEU A 60 -3.719 -0.923 6.625 1.00 2.45 O ATOM 968 CB LEU A 60 -0.814 -0.477 5.549 1.00 73.21 C ATOM 969 CG LEU A 60 0.558 0.222 5.493 1.00 35.42 C ATOM 970 CD1 LEU A 60 1.690 -0.799 5.409 1.00 33.34 C ATOM 971 CD2 LEU A 60 0.625 1.197 4.320 1.00 3.41 C ATOM 0 H LEU A 60 -1.703 0.766 7.676 1.00 35.41 H new ATOM 0 HA LEU A 60 -2.009 1.121 4.764 1.00 13.13 H new ATOM 0 HB2 LEU A 60 -0.830 -1.141 6.414 1.00 73.21 H new ATOM 0 HB3 LEU A 60 -0.920 -1.104 4.664 1.00 73.21 H new ATOM 0 HG LEU A 60 0.681 0.789 6.416 1.00 35.42 H new ATOM 0 HD11 LEU A 60 2.647 -0.279 5.371 1.00 33.34 H new ATOM 0 HD12 LEU A 60 1.663 -1.445 6.286 1.00 33.34 H new ATOM 0 HD13 LEU A 60 1.569 -1.403 4.510 1.00 33.34 H new ATOM 0 HD21 LEU A 60 1.603 1.678 4.302 1.00 3.41 H new ATOM 0 HD22 LEU A 60 0.470 0.655 3.387 1.00 3.41 H new ATOM 0 HD23 LEU A 60 -0.150 1.955 4.432 1.00 3.41 H new ATOM 983 N LYS A 61 -3.970 -0.368 4.461 1.00 14.23 N ATOM 984 CA LYS A 61 -5.204 -1.108 4.267 1.00 42.52 C ATOM 985 C LYS A 61 -5.014 -2.099 3.125 1.00 21.20 C ATOM 986 O LYS A 61 -4.624 -1.713 2.019 1.00 30.32 O ATOM 987 CB LYS A 61 -6.355 -0.139 3.957 1.00 55.35 C ATOM 988 CG LYS A 61 -7.733 -0.796 3.923 1.00 23.42 C ATOM 989 CD LYS A 61 -8.135 -1.344 5.289 1.00 55.33 C ATOM 990 CE LYS A 61 -9.536 -1.939 5.260 1.00 62.12 C ATOM 991 NZ LYS A 61 -9.941 -2.487 6.581 1.00 32.12 N ATOM 0 H LYS A 61 -3.654 0.131 3.630 1.00 14.23 H new ATOM 0 HA LYS A 61 -5.455 -1.653 5.177 1.00 42.52 H new ATOM 0 HB2 LYS A 61 -6.361 0.653 4.706 1.00 55.35 H new ATOM 0 HB3 LYS A 61 -6.167 0.335 2.994 1.00 55.35 H new ATOM 0 HG2 LYS A 61 -8.474 -0.069 3.591 1.00 23.42 H new ATOM 0 HG3 LYS A 61 -7.732 -1.605 3.193 1.00 23.42 H new ATOM 0 HD2 LYS A 61 -7.421 -2.106 5.601 1.00 55.33 H new ATOM 0 HD3 LYS A 61 -8.093 -0.545 6.030 1.00 55.33 H new ATOM 0 HE2 LYS A 61 -10.248 -1.173 4.953 1.00 62.12 H new ATOM 0 HE3 LYS A 61 -9.577 -2.731 4.512 1.00 62.12 H new ATOM 0 HZ1 LYS A 61 -10.901 -2.881 6.514 1.00 32.12 H new ATOM 0 HZ2 LYS A 61 -9.278 -3.237 6.864 1.00 32.12 H new ATOM 0 HZ3 LYS A 61 -9.928 -1.727 7.291 1.00 32.12 H new ATOM 1005 N GLY A 62 -5.258 -3.376 3.401 1.00 21.20 N ATOM 1006 CA GLY A 62 -5.030 -4.413 2.414 1.00 21.41 C ATOM 1007 C GLY A 62 -6.228 -4.623 1.508 1.00 73.20 C ATOM 1008 O GLY A 62 -7.374 -4.580 1.964 1.00 31.31 O ATOM 0 H GLY A 62 -5.612 -3.712 4.297 1.00 21.20 H new ATOM 0 HA2 GLY A 62 -4.162 -4.150 1.809 1.00 21.41 H new ATOM 0 HA3 GLY A 62 -4.794 -5.348 2.922 1.00 21.41 H new ATOM 1012 N PHE A 63 -5.962 -4.847 0.225 1.00 70.31 N ATOM 1013 CA PHE A 63 -7.002 -5.142 -0.755 1.00 35.44 C ATOM 1014 C PHE A 63 -6.519 -6.232 -1.703 1.00 13.45 C ATOM 1015 O PHE A 63 -5.324 -6.521 -1.766 1.00 21.32 O ATOM 1016 CB PHE A 63 -7.369 -3.885 -1.563 1.00 52.23 C ATOM 1017 CG PHE A 63 -8.031 -2.798 -0.752 1.00 51.32 C ATOM 1018 CD1 PHE A 63 -9.395 -2.836 -0.505 1.00 24.32 C ATOM 1019 CD2 PHE A 63 -7.294 -1.735 -0.249 1.00 54.22 C ATOM 1020 CE1 PHE A 63 -10.009 -1.838 0.226 1.00 42.22 C ATOM 1021 CE2 PHE A 63 -7.904 -0.737 0.485 1.00 71.52 C ATOM 1022 CZ PHE A 63 -9.264 -0.788 0.721 1.00 61.44 C ATOM 0 H PHE A 63 -5.020 -4.829 -0.165 1.00 70.31 H new ATOM 0 HA PHE A 63 -7.889 -5.482 -0.221 1.00 35.44 H new ATOM 0 HB2 PHE A 63 -6.464 -3.483 -2.018 1.00 52.23 H new ATOM 0 HB3 PHE A 63 -8.035 -4.172 -2.377 1.00 52.23 H new ATOM 0 HD1 PHE A 63 -9.984 -3.656 -0.889 1.00 24.32 H new ATOM 0 HD2 PHE A 63 -6.231 -1.688 -0.434 1.00 54.22 H new ATOM 0 HE1 PHE A 63 -11.072 -1.880 0.410 1.00 42.22 H new ATOM 0 HE2 PHE A 63 -7.318 0.083 0.874 1.00 71.52 H new ATOM 0 HZ PHE A 63 -9.743 -0.007 1.292 1.00 61.44 H new ATOM 1032 N PHE A 64 -7.453 -6.841 -2.417 1.00 63.21 N ATOM 1033 CA PHE A 64 -7.131 -7.795 -3.474 1.00 63.12 C ATOM 1034 C PHE A 64 -7.522 -7.179 -4.818 1.00 14.43 C ATOM 1035 O PHE A 64 -8.334 -6.247 -4.855 1.00 44.12 O ATOM 1036 CB PHE A 64 -7.880 -9.120 -3.257 1.00 1.22 C ATOM 1037 CG PHE A 64 -7.630 -9.768 -1.912 1.00 75.43 C ATOM 1038 CD1 PHE A 64 -6.515 -10.572 -1.703 1.00 35.01 C ATOM 1039 CD2 PHE A 64 -8.520 -9.580 -0.862 1.00 21.42 C ATOM 1040 CE1 PHE A 64 -6.296 -11.171 -0.473 1.00 51.44 C ATOM 1041 CE2 PHE A 64 -8.302 -10.178 0.365 1.00 44.03 C ATOM 1042 CZ PHE A 64 -7.191 -10.973 0.559 1.00 71.31 C ATOM 0 H PHE A 64 -8.453 -6.691 -2.283 1.00 63.21 H new ATOM 0 HA PHE A 64 -6.063 -8.011 -3.459 1.00 63.12 H new ATOM 0 HB2 PHE A 64 -8.950 -8.941 -3.367 1.00 1.22 H new ATOM 0 HB3 PHE A 64 -7.592 -9.819 -4.042 1.00 1.22 H new ATOM 0 HD1 PHE A 64 -5.812 -10.731 -2.508 1.00 35.01 H new ATOM 0 HD2 PHE A 64 -9.392 -8.960 -1.006 1.00 21.42 H new ATOM 0 HE1 PHE A 64 -5.426 -11.792 -0.322 1.00 51.44 H new ATOM 0 HE2 PHE A 64 -9.002 -10.023 1.173 1.00 44.03 H new ATOM 0 HZ PHE A 64 -7.022 -11.440 1.518 1.00 71.31 H new ATOM 1052 N ASP A 65 -6.952 -7.678 -5.914 1.00 72.33 N ATOM 1053 CA ASP A 65 -7.281 -7.158 -7.241 1.00 0.15 C ATOM 1054 C ASP A 65 -8.751 -7.419 -7.561 1.00 72.13 C ATOM 1055 O ASP A 65 -9.167 -8.555 -7.781 1.00 20.22 O ATOM 1056 CB ASP A 65 -6.365 -7.756 -8.326 1.00 33.00 C ATOM 1057 CG ASP A 65 -6.323 -9.277 -8.312 1.00 12.24 C ATOM 1058 OD1 ASP A 65 -5.583 -9.844 -7.480 1.00 11.14 O ATOM 1059 OD2 ASP A 65 -7.009 -9.913 -9.142 1.00 71.42 O ATOM 0 H ASP A 65 -6.267 -8.434 -5.911 1.00 72.33 H new ATOM 0 HA ASP A 65 -7.112 -6.081 -7.233 1.00 0.15 H new ATOM 0 HB2 ASP A 65 -6.706 -7.419 -9.305 1.00 33.00 H new ATOM 0 HB3 ASP A 65 -5.354 -7.371 -8.190 1.00 33.00 H new ATOM 1064 N ASP A 66 -9.535 -6.345 -7.553 1.00 15.34 N ATOM 1065 CA ASP A 66 -10.974 -6.416 -7.811 1.00 73.12 C ATOM 1066 C ASP A 66 -11.261 -6.762 -9.267 1.00 25.14 C ATOM 1067 O ASP A 66 -11.942 -7.747 -9.557 1.00 61.41 O ATOM 1068 CB ASP A 66 -11.642 -5.086 -7.441 1.00 63.24 C ATOM 1069 CG ASP A 66 -13.028 -4.928 -8.045 1.00 14.40 C ATOM 1070 OD1 ASP A 66 -13.967 -5.618 -7.593 1.00 61.03 O ATOM 1071 OD2 ASP A 66 -13.180 -4.115 -8.975 1.00 34.43 O ATOM 0 H ASP A 66 -9.194 -5.402 -7.368 1.00 15.34 H new ATOM 0 HA ASP A 66 -11.388 -7.210 -7.190 1.00 73.12 H new ATOM 0 HB2 ASP A 66 -11.714 -5.012 -6.356 1.00 63.24 H new ATOM 0 HB3 ASP A 66 -11.010 -4.263 -7.776 1.00 63.24 H new ATOM 1205 N THR A 75 -5.501 -2.304 -11.788 1.00 53.22 N ATOM 1206 CA THR A 75 -5.302 -1.722 -10.462 1.00 70.41 C ATOM 1207 C THR A 75 -6.458 -0.811 -10.013 1.00 50.44 C ATOM 1208 O THR A 75 -6.446 -0.297 -8.891 1.00 41.01 O ATOM 1209 CB THR A 75 -3.968 -0.937 -10.426 1.00 21.24 C ATOM 1210 OG1 THR A 75 -3.858 -0.111 -11.598 1.00 15.34 O ATOM 1211 CG2 THR A 75 -2.773 -1.885 -10.358 1.00 64.30 C ATOM 0 HA THR A 75 -5.271 -2.554 -9.759 1.00 70.41 H new ATOM 0 HB THR A 75 -3.965 -0.314 -9.532 1.00 21.24 H new ATOM 0 HG1 THR A 75 -4.463 -0.446 -12.292 1.00 15.34 H new ATOM 0 HG21 THR A 75 -1.850 -1.306 -10.334 1.00 64.30 H new ATOM 0 HG22 THR A 75 -2.843 -2.494 -9.457 1.00 64.30 H new ATOM 0 HG23 THR A 75 -2.772 -2.533 -11.235 1.00 64.30 H new ATOM 1219 N LYS A 76 -7.455 -0.610 -10.874 1.00 3.40 N ATOM 1220 CA LYS A 76 -8.624 0.195 -10.519 1.00 72.35 C ATOM 1221 C LYS A 76 -9.581 -0.638 -9.658 1.00 12.24 C ATOM 1222 O LYS A 76 -10.653 -1.053 -10.103 1.00 14.14 O ATOM 1223 CB LYS A 76 -9.335 0.701 -11.786 1.00 15.12 C ATOM 1224 CG LYS A 76 -10.327 1.839 -11.547 1.00 52.23 C ATOM 1225 CD LYS A 76 -9.623 3.125 -11.105 1.00 62.13 C ATOM 1226 CE LYS A 76 -10.585 4.308 -11.006 1.00 5.53 C ATOM 1227 NZ LYS A 76 -11.660 4.079 -10.001 1.00 13.54 N ATOM 0 H LYS A 76 -7.477 -0.992 -11.820 1.00 3.40 H new ATOM 0 HA LYS A 76 -8.298 1.063 -9.946 1.00 72.35 H new ATOM 0 HB2 LYS A 76 -8.583 1.036 -12.500 1.00 15.12 H new ATOM 0 HB3 LYS A 76 -9.863 -0.133 -12.248 1.00 15.12 H new ATOM 0 HG2 LYS A 76 -10.889 2.029 -12.461 1.00 52.23 H new ATOM 0 HG3 LYS A 76 -11.047 1.539 -10.786 1.00 52.23 H new ATOM 0 HD2 LYS A 76 -9.149 2.963 -10.137 1.00 62.13 H new ATOM 0 HD3 LYS A 76 -8.829 3.363 -11.813 1.00 62.13 H new ATOM 0 HE2 LYS A 76 -10.027 5.206 -10.740 1.00 5.53 H new ATOM 0 HE3 LYS A 76 -11.035 4.490 -11.982 1.00 5.53 H new ATOM 0 HZ1 LYS A 76 -12.581 4.035 -10.482 1.00 13.54 H new ATOM 0 HZ2 LYS A 76 -11.486 3.182 -9.504 1.00 13.54 H new ATOM 0 HZ3 LYS A 76 -11.665 4.860 -9.314 1.00 13.54 H new ATOM 1241 N ILE A 77 -9.155 -0.909 -8.431 1.00 63.10 N ATOM 1242 CA ILE A 77 -9.906 -1.748 -7.504 1.00 65.31 C ATOM 1243 C ILE A 77 -11.158 -1.020 -6.999 1.00 22.55 C ATOM 1244 O ILE A 77 -11.053 -0.027 -6.277 1.00 10.31 O ATOM 1245 CB ILE A 77 -9.015 -2.160 -6.299 1.00 63.42 C ATOM 1246 CG1 ILE A 77 -7.755 -2.898 -6.791 1.00 42.34 C ATOM 1247 CG2 ILE A 77 -9.792 -3.024 -5.306 1.00 2.04 C ATOM 1248 CD1 ILE A 77 -6.794 -3.284 -5.683 1.00 61.51 C ATOM 0 H ILE A 77 -8.278 -0.553 -8.049 1.00 63.10 H new ATOM 0 HA ILE A 77 -10.217 -2.645 -8.040 1.00 65.31 H new ATOM 0 HB ILE A 77 -8.707 -1.252 -5.780 1.00 63.42 H new ATOM 0 HG12 ILE A 77 -8.059 -3.799 -7.324 1.00 42.34 H new ATOM 0 HG13 ILE A 77 -7.232 -2.265 -7.507 1.00 42.34 H new ATOM 0 HG21 ILE A 77 -9.142 -3.296 -4.474 1.00 2.04 H new ATOM 0 HG22 ILE A 77 -10.648 -2.465 -4.929 1.00 2.04 H new ATOM 0 HG23 ILE A 77 -10.140 -3.928 -5.805 1.00 2.04 H new ATOM 0 HD11 ILE A 77 -5.934 -3.799 -6.111 1.00 61.51 H new ATOM 0 HD12 ILE A 77 -6.458 -2.387 -5.163 1.00 61.51 H new ATOM 0 HD13 ILE A 77 -7.298 -3.944 -4.978 1.00 61.51 H new ATOM 1260 N SER A 78 -12.333 -1.523 -7.381 1.00 5.02 N ATOM 1261 CA SER A 78 -13.608 -0.904 -7.009 1.00 52.31 C ATOM 1262 C SER A 78 -13.726 -0.707 -5.493 1.00 0.52 C ATOM 1263 O SER A 78 -13.917 0.417 -5.021 1.00 74.22 O ATOM 1264 CB SER A 78 -14.778 -1.751 -7.528 1.00 73.14 C ATOM 1265 OG SER A 78 -16.031 -1.197 -7.151 1.00 74.44 O ATOM 0 H SER A 78 -12.429 -2.363 -7.952 1.00 5.02 H new ATOM 0 HA SER A 78 -13.644 0.082 -7.472 1.00 52.31 H new ATOM 0 HB2 SER A 78 -14.723 -1.822 -8.614 1.00 73.14 H new ATOM 0 HB3 SER A 78 -14.695 -2.765 -7.137 1.00 73.14 H new ATOM 0 HG SER A 78 -16.755 -1.759 -7.498 1.00 74.44 H new ATOM 1271 N THR A 79 -13.592 -1.794 -4.726 1.00 23.14 N ATOM 1272 CA THR A 79 -13.730 -1.729 -3.267 1.00 2.23 C ATOM 1273 C THR A 79 -12.749 -0.714 -2.663 1.00 63.44 C ATOM 1274 O THR A 79 -13.007 -0.138 -1.602 1.00 12.23 O ATOM 1275 CB THR A 79 -13.534 -3.125 -2.618 1.00 15.13 C ATOM 1276 OG1 THR A 79 -13.717 -3.053 -1.199 1.00 44.35 O ATOM 1277 CG2 THR A 79 -12.151 -3.692 -2.920 1.00 71.22 C ATOM 0 H THR A 79 -13.389 -2.725 -5.089 1.00 23.14 H new ATOM 0 HA THR A 79 -14.745 -1.395 -3.051 1.00 2.23 H new ATOM 0 HB THR A 79 -14.284 -3.789 -3.048 1.00 15.13 H new ATOM 0 HG1 THR A 79 -13.591 -3.942 -0.807 1.00 44.35 H new ATOM 0 HG21 THR A 79 -12.048 -4.670 -2.450 1.00 71.22 H new ATOM 0 HG22 THR A 79 -12.026 -3.792 -3.998 1.00 71.22 H new ATOM 0 HG23 THR A 79 -11.388 -3.019 -2.528 1.00 71.22 H new ATOM 1285 N LEU A 80 -11.639 -0.478 -3.364 1.00 53.44 N ATOM 1286 CA LEU A 80 -10.650 0.508 -2.939 1.00 51.23 C ATOM 1287 C LEU A 80 -11.140 1.917 -3.258 1.00 34.02 C ATOM 1288 O LEU A 80 -10.996 2.829 -2.449 1.00 45.01 O ATOM 1289 CB LEU A 80 -9.303 0.246 -3.632 1.00 55.25 C ATOM 1290 CG LEU A 80 -8.254 1.367 -3.511 1.00 30.41 C ATOM 1291 CD1 LEU A 80 -7.928 1.658 -2.051 1.00 71.23 C ATOM 1292 CD2 LEU A 80 -6.993 1.006 -4.294 1.00 2.44 C ATOM 0 H LEU A 80 -11.404 -0.960 -4.232 1.00 53.44 H new ATOM 0 HA LEU A 80 -10.511 0.420 -1.861 1.00 51.23 H new ATOM 0 HB2 LEU A 80 -8.877 -0.669 -3.221 1.00 55.25 H new ATOM 0 HB3 LEU A 80 -9.490 0.063 -4.690 1.00 55.25 H new ATOM 0 HG LEU A 80 -8.675 2.275 -3.942 1.00 30.41 H new ATOM 0 HD11 LEU A 80 -7.185 2.453 -1.996 1.00 71.23 H new ATOM 0 HD12 LEU A 80 -8.834 1.971 -1.531 1.00 71.23 H new ATOM 0 HD13 LEU A 80 -7.532 0.758 -1.580 1.00 71.23 H new ATOM 0 HD21 LEU A 80 -6.262 1.809 -4.198 1.00 2.44 H new ATOM 0 HD22 LEU A 80 -6.571 0.082 -3.898 1.00 2.44 H new ATOM 0 HD23 LEU A 80 -7.245 0.869 -5.346 1.00 2.44 H new ATOM 1304 N ASP A 81 -11.721 2.080 -4.443 1.00 52.11 N ATOM 1305 CA ASP A 81 -12.240 3.375 -4.880 1.00 73.44 C ATOM 1306 C ASP A 81 -13.288 3.884 -3.892 1.00 24.13 C ATOM 1307 O ASP A 81 -13.306 5.062 -3.533 1.00 75.33 O ATOM 1308 CB ASP A 81 -12.844 3.259 -6.284 1.00 40.51 C ATOM 1309 CG ASP A 81 -13.263 4.608 -6.854 1.00 21.10 C ATOM 1310 OD1 ASP A 81 -12.412 5.291 -7.467 1.00 64.12 O ATOM 1311 OD2 ASP A 81 -14.441 4.988 -6.708 1.00 3.03 O ATOM 0 H ASP A 81 -11.845 1.329 -5.122 1.00 52.11 H new ATOM 0 HA ASP A 81 -11.417 4.088 -4.914 1.00 73.44 H new ATOM 0 HB2 ASP A 81 -12.117 2.797 -6.951 1.00 40.51 H new ATOM 0 HB3 ASP A 81 -13.710 2.598 -6.250 1.00 40.51 H new ATOM 1316 N GLU A 82 -14.144 2.969 -3.446 1.00 23.44 N ATOM 1317 CA GLU A 82 -15.167 3.277 -2.448 1.00 11.24 C ATOM 1318 C GLU A 82 -14.512 3.722 -1.140 1.00 53.01 C ATOM 1319 O GLU A 82 -14.956 4.682 -0.506 1.00 11.30 O ATOM 1320 CB GLU A 82 -16.061 2.051 -2.211 1.00 24.33 C ATOM 1321 CG GLU A 82 -16.725 1.524 -3.481 1.00 52.10 C ATOM 1322 CD GLU A 82 -17.608 0.313 -3.232 1.00 52.44 C ATOM 1323 OE1 GLU A 82 -17.069 -0.797 -3.053 1.00 43.24 O ATOM 1324 OE2 GLU A 82 -18.850 0.459 -3.222 1.00 42.30 O ATOM 0 H GLU A 82 -14.150 1.999 -3.763 1.00 23.44 H new ATOM 0 HA GLU A 82 -15.787 4.093 -2.820 1.00 11.24 H new ATOM 0 HB2 GLU A 82 -15.462 1.256 -1.767 1.00 24.33 H new ATOM 0 HB3 GLU A 82 -16.834 2.310 -1.487 1.00 24.33 H new ATOM 0 HG2 GLU A 82 -17.324 2.318 -3.927 1.00 52.10 H new ATOM 0 HG3 GLU A 82 -15.954 1.261 -4.205 1.00 52.10 H new ATOM 1331 N TYR A 83 -13.442 3.024 -0.758 1.00 2.23 N ATOM 1332 CA TYR A 83 -12.666 3.365 0.433 1.00 23.43 C ATOM 1333 C TYR A 83 -12.099 4.779 0.303 1.00 32.30 C ATOM 1334 O TYR A 83 -12.243 5.611 1.205 1.00 15.12 O ATOM 1335 CB TYR A 83 -11.527 2.348 0.625 1.00 61.32 C ATOM 1336 CG TYR A 83 -10.620 2.621 1.817 1.00 52.33 C ATOM 1337 CD1 TYR A 83 -9.486 3.423 1.693 1.00 50.45 C ATOM 1338 CD2 TYR A 83 -10.899 2.076 3.065 1.00 44.01 C ATOM 1339 CE1 TYR A 83 -8.666 3.671 2.775 1.00 60.15 C ATOM 1340 CE2 TYR A 83 -10.082 2.322 4.153 1.00 61.44 C ATOM 1341 CZ TYR A 83 -8.969 3.122 4.002 1.00 25.31 C ATOM 1342 OH TYR A 83 -8.156 3.375 5.087 1.00 22.24 O ATOM 0 H TYR A 83 -13.091 2.210 -1.263 1.00 2.23 H new ATOM 0 HA TYR A 83 -13.319 3.330 1.305 1.00 23.43 H new ATOM 0 HB2 TYR A 83 -11.961 1.355 0.737 1.00 61.32 H new ATOM 0 HB3 TYR A 83 -10.919 2.330 -0.279 1.00 61.32 H new ATOM 0 HD1 TYR A 83 -9.245 3.857 0.734 1.00 50.45 H new ATOM 0 HD2 TYR A 83 -11.770 1.449 3.187 1.00 44.01 H new ATOM 0 HE1 TYR A 83 -7.790 4.293 2.661 1.00 60.15 H new ATOM 0 HE2 TYR A 83 -10.314 1.890 5.115 1.00 61.44 H new ATOM 0 HH TYR A 83 -8.511 2.914 5.876 1.00 22.24 H new ATOM 1352 N ILE A 84 -11.470 5.044 -0.838 1.00 13.53 N ATOM 1353 CA ILE A 84 -10.873 6.347 -1.118 1.00 13.15 C ATOM 1354 C ILE A 84 -11.929 7.449 -1.040 1.00 14.45 C ATOM 1355 O ILE A 84 -11.666 8.541 -0.536 1.00 32.21 O ATOM 1356 CB ILE A 84 -10.201 6.363 -2.520 1.00 15.40 C ATOM 1357 CG1 ILE A 84 -9.066 5.325 -2.580 1.00 72.23 C ATOM 1358 CG2 ILE A 84 -9.681 7.760 -2.871 1.00 15.44 C ATOM 1359 CD1 ILE A 84 -7.959 5.559 -1.568 1.00 2.42 C ATOM 0 H ILE A 84 -11.360 4.366 -1.592 1.00 13.53 H new ATOM 0 HA ILE A 84 -10.108 6.531 -0.363 1.00 13.15 H new ATOM 0 HB ILE A 84 -10.955 6.097 -3.261 1.00 15.40 H new ATOM 0 HG12 ILE A 84 -9.487 4.332 -2.419 1.00 72.23 H new ATOM 0 HG13 ILE A 84 -8.636 5.330 -3.581 1.00 72.23 H new ATOM 0 HG21 ILE A 84 -9.217 7.738 -3.857 1.00 15.44 H new ATOM 0 HG22 ILE A 84 -10.511 8.466 -2.876 1.00 15.44 H new ATOM 0 HG23 ILE A 84 -8.945 8.071 -2.130 1.00 15.44 H new ATOM 0 HD11 ILE A 84 -7.199 4.785 -1.675 1.00 2.42 H new ATOM 0 HD12 ILE A 84 -7.509 6.537 -1.741 1.00 2.42 H new ATOM 0 HD13 ILE A 84 -8.373 5.523 -0.561 1.00 2.42 H new ATOM 1371 N TYR A 85 -13.127 7.135 -1.518 1.00 63.22 N ATOM 1372 CA TYR A 85 -14.235 8.085 -1.527 1.00 4.25 C ATOM 1373 C TYR A 85 -14.628 8.485 -0.104 1.00 12.43 C ATOM 1374 O TYR A 85 -15.058 9.613 0.137 1.00 32.35 O ATOM 1375 CB TYR A 85 -15.440 7.475 -2.254 1.00 41.24 C ATOM 1376 CG TYR A 85 -16.589 8.444 -2.465 1.00 62.15 C ATOM 1377 CD1 TYR A 85 -16.542 9.389 -3.484 1.00 10.30 C ATOM 1378 CD2 TYR A 85 -17.713 8.422 -1.646 1.00 72.24 C ATOM 1379 CE1 TYR A 85 -17.579 10.279 -3.683 1.00 74.15 C ATOM 1380 CE2 TYR A 85 -18.755 9.309 -1.838 1.00 72.43 C ATOM 1381 CZ TYR A 85 -18.681 10.237 -2.859 1.00 70.24 C ATOM 1382 OH TYR A 85 -19.717 11.124 -3.054 1.00 44.10 O ATOM 0 H TYR A 85 -13.358 6.221 -1.908 1.00 63.22 H new ATOM 0 HA TYR A 85 -13.912 8.982 -2.054 1.00 4.25 H new ATOM 0 HB2 TYR A 85 -15.114 7.098 -3.223 1.00 41.24 H new ATOM 0 HB3 TYR A 85 -15.800 6.619 -1.684 1.00 41.24 H new ATOM 0 HD1 TYR A 85 -15.679 9.428 -4.132 1.00 10.30 H new ATOM 0 HD2 TYR A 85 -17.772 7.699 -0.846 1.00 72.24 H new ATOM 0 HE1 TYR A 85 -17.526 11.005 -4.481 1.00 74.15 H new ATOM 0 HE2 TYR A 85 -19.622 9.277 -1.194 1.00 72.43 H new ATOM 0 HH TYR A 85 -20.418 10.960 -2.389 1.00 44.10 H new ATOM 1392 N GLU A 86 -14.482 7.550 0.833 1.00 0.34 N ATOM 1393 CA GLU A 86 -14.850 7.788 2.228 1.00 24.22 C ATOM 1394 C GLU A 86 -13.839 8.702 2.918 1.00 61.54 C ATOM 1395 O GLU A 86 -14.188 9.779 3.409 1.00 65.32 O ATOM 1396 CB GLU A 86 -14.927 6.462 2.998 1.00 75.02 C ATOM 1397 CG GLU A 86 -15.961 5.484 2.468 1.00 3.52 C ATOM 1398 CD GLU A 86 -16.008 4.201 3.279 1.00 73.03 C ATOM 1399 OE1 GLU A 86 -16.398 4.260 4.466 1.00 15.10 O ATOM 1400 OE2 GLU A 86 -15.664 3.130 2.736 1.00 62.10 O ATOM 0 H GLU A 86 -14.110 6.618 0.651 1.00 0.34 H new ATOM 0 HA GLU A 86 -15.827 8.272 2.229 1.00 24.22 H new ATOM 0 HB2 GLU A 86 -13.947 5.985 2.973 1.00 75.02 H new ATOM 0 HB3 GLU A 86 -15.150 6.676 4.043 1.00 75.02 H new ATOM 0 HG2 GLU A 86 -16.944 5.955 2.480 1.00 3.52 H new ATOM 0 HG3 GLU A 86 -15.734 5.246 1.429 1.00 3.52 H new ATOM 1407 N TYR A 87 -12.590 8.256 2.954 1.00 65.43 N ATOM 1408 CA TYR A 87 -11.551 8.909 3.748 1.00 54.15 C ATOM 1409 C TYR A 87 -10.867 10.033 2.974 1.00 31.31 C ATOM 1410 O TYR A 87 -10.733 11.153 3.472 1.00 62.33 O ATOM 1411 CB TYR A 87 -10.509 7.873 4.197 1.00 44.23 C ATOM 1412 CG TYR A 87 -11.104 6.710 4.974 1.00 21.42 C ATOM 1413 CD1 TYR A 87 -11.771 5.680 4.318 1.00 42.33 C ATOM 1414 CD2 TYR A 87 -11.005 6.644 6.360 1.00 63.41 C ATOM 1415 CE1 TYR A 87 -12.320 4.622 5.015 1.00 50.43 C ATOM 1416 CE2 TYR A 87 -11.553 5.583 7.065 1.00 4.43 C ATOM 1417 CZ TYR A 87 -12.209 4.577 6.386 1.00 43.21 C ATOM 1418 OH TYR A 87 -12.754 3.515 7.081 1.00 31.21 O ATOM 0 H TYR A 87 -12.268 7.437 2.438 1.00 65.43 H new ATOM 0 HA TYR A 87 -12.030 9.352 4.621 1.00 54.15 H new ATOM 0 HB2 TYR A 87 -9.992 7.486 3.319 1.00 44.23 H new ATOM 0 HB3 TYR A 87 -9.760 8.368 4.816 1.00 44.23 H new ATOM 0 HD1 TYR A 87 -11.861 5.709 3.242 1.00 42.33 H new ATOM 0 HD2 TYR A 87 -10.494 7.431 6.895 1.00 63.41 H new ATOM 0 HE1 TYR A 87 -12.834 3.833 4.486 1.00 50.43 H new ATOM 0 HE2 TYR A 87 -11.467 5.544 8.141 1.00 4.43 H new ATOM 0 HH TYR A 87 -12.589 3.632 8.040 1.00 31.21 H new ATOM 1428 N CYS A 88 -10.443 9.732 1.755 1.00 23.34 N ATOM 1429 CA CYS A 88 -9.693 10.690 0.951 1.00 34.12 C ATOM 1430 C CYS A 88 -10.643 11.696 0.300 1.00 43.04 C ATOM 1431 O CYS A 88 -10.941 11.616 -0.894 1.00 75.31 O ATOM 1432 CB CYS A 88 -8.846 9.959 -0.103 1.00 54.14 C ATOM 1433 SG CYS A 88 -7.731 11.036 -1.068 1.00 41.34 S ATOM 0 H CYS A 88 -10.605 8.833 1.300 1.00 23.34 H new ATOM 0 HA CYS A 88 -9.014 11.241 1.602 1.00 34.12 H new ATOM 0 HB2 CYS A 88 -8.249 9.196 0.396 1.00 54.14 H new ATOM 0 HB3 CYS A 88 -9.514 9.442 -0.791 1.00 54.14 H new ATOM 1438 N ASN A 89 -11.150 12.615 1.119 1.00 10.42 N ATOM 1439 CA ASN A 89 -12.052 13.666 0.654 1.00 32.31 C ATOM 1440 C ASN A 89 -11.250 14.828 0.070 1.00 41.43 C ATOM 1441 O ASN A 89 -11.472 15.245 -1.066 1.00 10.35 O ATOM 1442 CB ASN A 89 -12.935 14.157 1.815 1.00 34.24 C ATOM 1443 CG ASN A 89 -13.889 15.263 1.394 1.00 74.44 C ATOM 1444 OD1 ASN A 89 -15.004 14.998 0.947 1.00 34.45 O ATOM 1445 ND2 ASN A 89 -13.469 16.511 1.549 1.00 12.40 N ATOM 0 H ASN A 89 -10.949 12.652 2.118 1.00 10.42 H new ATOM 0 HA ASN A 89 -12.695 13.259 -0.127 1.00 32.31 H new ATOM 0 HB2 ASN A 89 -13.508 13.319 2.211 1.00 34.24 H new ATOM 0 HB3 ASN A 89 -12.299 14.518 2.623 1.00 34.24 H new ATOM 0 HD21 ASN A 89 -14.077 17.289 1.294 1.00 12.40 H new ATOM 0 HD22 ASN A 89 -12.538 16.693 1.923 1.00 12.40 H new ATOM 1452 N PHE A 90 -10.311 15.336 0.863 1.00 5.14 N ATOM 1453 CA PHE A 90 -9.431 16.425 0.446 1.00 2.15 C ATOM 1454 C PHE A 90 -8.242 16.507 1.401 1.00 45.21 C ATOM 1455 O PHE A 90 -8.375 16.185 2.581 1.00 1.41 O ATOM 1456 CB PHE A 90 -10.196 17.760 0.424 1.00 41.15 C ATOM 1457 CG PHE A 90 -9.376 18.929 -0.073 1.00 35.31 C ATOM 1458 CD1 PHE A 90 -9.186 19.135 -1.433 1.00 63.32 C ATOM 1459 CD2 PHE A 90 -8.791 19.821 0.821 1.00 41.51 C ATOM 1460 CE1 PHE A 90 -8.434 20.201 -1.890 1.00 32.23 C ATOM 1461 CE2 PHE A 90 -8.037 20.887 0.366 1.00 41.00 C ATOM 1462 CZ PHE A 90 -7.859 21.077 -0.991 1.00 55.11 C ATOM 0 H PHE A 90 -10.138 15.005 1.812 1.00 5.14 H new ATOM 0 HA PHE A 90 -9.070 16.227 -0.563 1.00 2.15 H new ATOM 0 HB2 PHE A 90 -11.077 17.652 -0.209 1.00 41.15 H new ATOM 0 HB3 PHE A 90 -10.551 17.980 1.431 1.00 41.15 H new ATOM 0 HD1 PHE A 90 -9.631 18.454 -2.143 1.00 63.32 H new ATOM 0 HD2 PHE A 90 -8.928 19.679 1.883 1.00 41.51 H new ATOM 0 HE1 PHE A 90 -8.296 20.349 -2.951 1.00 32.23 H new ATOM 0 HE2 PHE A 90 -7.587 21.571 1.071 1.00 41.00 H new ATOM 0 HZ PHE A 90 -7.271 21.910 -1.348 1.00 55.11 H new ATOM 1472 N GLY A 91 -7.086 16.920 0.885 1.00 32.45 N ATOM 1473 CA GLY A 91 -5.889 17.018 1.711 1.00 0.43 C ATOM 1474 C GLY A 91 -5.354 15.657 2.118 1.00 32.32 C ATOM 1475 O GLY A 91 -4.534 15.549 3.030 1.00 24.42 O ATOM 0 H GLY A 91 -6.955 17.189 -0.090 1.00 32.45 H new ATOM 0 HA2 GLY A 91 -5.117 17.560 1.165 1.00 0.43 H new ATOM 0 HA3 GLY A 91 -6.114 17.599 2.605 1.00 0.43 H new ATOM 1479 N CYS A 92 -5.829 14.621 1.436 1.00 41.24 N ATOM 1480 CA CYS A 92 -5.391 13.251 1.683 1.00 21.24 C ATOM 1481 C CYS A 92 -4.222 12.900 0.766 1.00 64.31 C ATOM 1482 O CYS A 92 -3.977 13.590 -0.225 1.00 34.54 O ATOM 1483 CB CYS A 92 -6.567 12.295 1.458 1.00 75.32 C ATOM 1484 SG CYS A 92 -7.606 12.742 0.026 1.00 33.12 S ATOM 0 H CYS A 92 -6.527 14.706 0.697 1.00 41.24 H new ATOM 0 HA CYS A 92 -5.051 13.155 2.714 1.00 21.24 H new ATOM 0 HB2 CYS A 92 -6.182 11.285 1.316 1.00 75.32 H new ATOM 0 HB3 CYS A 92 -7.187 12.277 2.355 1.00 75.32 H new ATOM 1489 N ALA A 93 -3.511 11.827 1.093 1.00 41.31 N ATOM 1490 CA ALA A 93 -2.321 11.432 0.351 1.00 63.14 C ATOM 1491 C ALA A 93 -2.082 9.937 0.507 1.00 25.40 C ATOM 1492 O ALA A 93 -1.538 9.490 1.518 1.00 33.14 O ATOM 1493 CB ALA A 93 -1.114 12.228 0.832 1.00 1.50 C ATOM 0 H ALA A 93 -3.741 11.211 1.873 1.00 41.31 H new ATOM 0 HA ALA A 93 -2.472 11.647 -0.707 1.00 63.14 H new ATOM 0 HB1 ALA A 93 -0.231 11.924 0.270 1.00 1.50 H new ATOM 0 HB2 ALA A 93 -1.294 13.292 0.677 1.00 1.50 H new ATOM 0 HB3 ALA A 93 -0.952 12.038 1.893 1.00 1.50 H new ATOM 1499 N TYR A 94 -2.497 9.170 -0.493 1.00 70.12 N ATOM 1500 CA TYR A 94 -2.415 7.715 -0.429 1.00 25.15 C ATOM 1501 C TYR A 94 -1.520 7.163 -1.537 1.00 10.02 C ATOM 1502 O TYR A 94 -1.220 7.853 -2.518 1.00 33.54 O ATOM 1503 CB TYR A 94 -3.821 7.091 -0.520 1.00 33.21 C ATOM 1504 CG TYR A 94 -4.518 7.301 -1.855 1.00 53.25 C ATOM 1505 CD1 TYR A 94 -5.277 8.443 -2.102 1.00 23.32 C ATOM 1506 CD2 TYR A 94 -4.419 6.351 -2.867 1.00 45.22 C ATOM 1507 CE1 TYR A 94 -5.911 8.628 -3.318 1.00 52.23 C ATOM 1508 CE2 TYR A 94 -5.048 6.532 -4.079 1.00 2.23 C ATOM 1509 CZ TYR A 94 -5.794 7.670 -4.303 1.00 21.41 C ATOM 1510 OH TYR A 94 -6.415 7.851 -5.521 1.00 24.53 O ATOM 0 H TYR A 94 -2.895 9.531 -1.360 1.00 70.12 H new ATOM 0 HA TYR A 94 -1.972 7.447 0.530 1.00 25.15 H new ATOM 0 HB2 TYR A 94 -3.743 6.021 -0.330 1.00 33.21 H new ATOM 0 HB3 TYR A 94 -4.443 7.511 0.270 1.00 33.21 H new ATOM 0 HD1 TYR A 94 -5.372 9.195 -1.333 1.00 23.32 H new ATOM 0 HD2 TYR A 94 -3.839 5.456 -2.699 1.00 45.22 H new ATOM 0 HE1 TYR A 94 -6.495 9.519 -3.495 1.00 52.23 H new ATOM 0 HE2 TYR A 94 -4.957 5.784 -4.853 1.00 2.23 H new ATOM 0 HH TYR A 94 -5.876 7.438 -6.228 1.00 24.53 H new ATOM 1520 N PHE A 95 -1.099 5.914 -1.367 1.00 12.11 N ATOM 1521 CA PHE A 95 -0.286 5.214 -2.356 1.00 42.11 C ATOM 1522 C PHE A 95 -0.710 3.749 -2.433 1.00 11.23 C ATOM 1523 O PHE A 95 -1.112 3.166 -1.426 1.00 3.25 O ATOM 1524 CB PHE A 95 1.207 5.325 -2.000 1.00 3.23 C ATOM 1525 CG PHE A 95 1.565 4.772 -0.637 1.00 42.02 C ATOM 1526 CD1 PHE A 95 1.906 3.435 -0.479 1.00 70.13 C ATOM 1527 CD2 PHE A 95 1.567 5.591 0.485 1.00 2.51 C ATOM 1528 CE1 PHE A 95 2.238 2.929 0.763 1.00 71.22 C ATOM 1529 CE2 PHE A 95 1.898 5.088 1.729 1.00 5.35 C ATOM 1530 CZ PHE A 95 2.234 3.755 1.868 1.00 53.21 C ATOM 0 H PHE A 95 -1.312 5.358 -0.539 1.00 12.11 H new ATOM 0 HA PHE A 95 -0.440 5.677 -3.331 1.00 42.11 H new ATOM 0 HB2 PHE A 95 1.789 4.799 -2.757 1.00 3.23 H new ATOM 0 HB3 PHE A 95 1.502 6.374 -2.043 1.00 3.23 H new ATOM 0 HD1 PHE A 95 1.912 2.782 -1.339 1.00 70.13 H new ATOM 0 HD2 PHE A 95 1.307 6.634 0.384 1.00 2.51 H new ATOM 0 HE1 PHE A 95 2.501 1.887 0.869 1.00 71.22 H new ATOM 0 HE2 PHE A 95 1.894 5.737 2.592 1.00 5.35 H new ATOM 0 HZ PHE A 95 2.493 3.361 2.839 1.00 53.21 H new ATOM 1540 N VAL A 96 -0.633 3.164 -3.629 1.00 32.44 N ATOM 1541 CA VAL A 96 -1.000 1.765 -3.838 1.00 41.52 C ATOM 1542 C VAL A 96 0.196 0.972 -4.370 1.00 1.20 C ATOM 1543 O VAL A 96 0.720 1.270 -5.450 1.00 74.45 O ATOM 1544 CB VAL A 96 -2.182 1.637 -4.839 1.00 2.12 C ATOM 1545 CG1 VAL A 96 -2.643 0.180 -4.955 1.00 52.31 C ATOM 1546 CG2 VAL A 96 -3.340 2.548 -4.431 1.00 5.42 C ATOM 0 H VAL A 96 -0.317 3.643 -4.473 1.00 32.44 H new ATOM 0 HA VAL A 96 -1.309 1.360 -2.874 1.00 41.52 H new ATOM 0 HB VAL A 96 -1.832 1.957 -5.820 1.00 2.12 H new ATOM 0 HG11 VAL A 96 -3.471 0.115 -5.661 1.00 52.31 H new ATOM 0 HG12 VAL A 96 -1.816 -0.436 -5.308 1.00 52.31 H new ATOM 0 HG13 VAL A 96 -2.970 -0.177 -3.978 1.00 52.31 H new ATOM 0 HG21 VAL A 96 -4.156 2.442 -5.146 1.00 5.42 H new ATOM 0 HG22 VAL A 96 -3.690 2.269 -3.437 1.00 5.42 H new ATOM 0 HG23 VAL A 96 -3.001 3.584 -4.419 1.00 5.42 H new ATOM 1556 N LEU A 97 0.635 -0.019 -3.600 1.00 12.11 N ATOM 1557 CA LEU A 97 1.704 -0.922 -4.024 1.00 71.30 C ATOM 1558 C LEU A 97 1.123 -2.271 -4.441 1.00 51.34 C ATOM 1559 O LEU A 97 0.296 -2.847 -3.728 1.00 72.25 O ATOM 1560 CB LEU A 97 2.739 -1.121 -2.895 1.00 62.34 C ATOM 1561 CG LEU A 97 3.957 -0.176 -2.924 1.00 0.54 C ATOM 1562 CD1 LEU A 97 3.539 1.284 -2.812 1.00 2.03 C ATOM 1563 CD2 LEU A 97 4.942 -0.539 -1.815 1.00 70.32 C ATOM 0 H LEU A 97 0.264 -0.219 -2.671 1.00 12.11 H new ATOM 0 HA LEU A 97 2.208 -0.471 -4.878 1.00 71.30 H new ATOM 0 HB2 LEU A 97 2.232 -0.999 -1.938 1.00 62.34 H new ATOM 0 HB3 LEU A 97 3.100 -2.149 -2.936 1.00 62.34 H new ATOM 0 HG LEU A 97 4.451 -0.303 -3.887 1.00 0.54 H new ATOM 0 HD11 LEU A 97 4.425 1.919 -2.836 1.00 2.03 H new ATOM 0 HD12 LEU A 97 2.886 1.540 -3.646 1.00 2.03 H new ATOM 0 HD13 LEU A 97 3.007 1.439 -1.873 1.00 2.03 H new ATOM 0 HD21 LEU A 97 5.795 0.138 -1.850 1.00 70.32 H new ATOM 0 HD22 LEU A 97 4.449 -0.451 -0.847 1.00 70.32 H new ATOM 0 HD23 LEU A 97 5.286 -1.564 -1.955 1.00 70.32 H new ATOM 1575 N LYS A 98 1.556 -2.762 -5.596 1.00 32.12 N ATOM 1576 CA LYS A 98 1.149 -4.072 -6.089 1.00 55.21 C ATOM 1577 C LYS A 98 2.316 -5.044 -5.968 1.00 73.13 C ATOM 1578 O LYS A 98 3.431 -4.740 -6.400 1.00 45.25 O ATOM 1579 CB LYS A 98 0.696 -3.979 -7.555 1.00 23.44 C ATOM 1580 CG LYS A 98 0.348 -5.324 -8.192 1.00 3.23 C ATOM 1581 CD LYS A 98 0.007 -5.177 -9.675 1.00 4.30 C ATOM 1582 CE LYS A 98 -0.297 -6.517 -10.344 1.00 41.02 C ATOM 1583 NZ LYS A 98 -1.529 -7.155 -9.809 1.00 25.14 N ATOM 0 H LYS A 98 2.197 -2.265 -6.215 1.00 32.12 H new ATOM 0 HA LYS A 98 0.311 -4.431 -5.491 1.00 55.21 H new ATOM 0 HB2 LYS A 98 -0.175 -3.326 -7.613 1.00 23.44 H new ATOM 0 HB3 LYS A 98 1.487 -3.508 -8.138 1.00 23.44 H new ATOM 0 HG2 LYS A 98 1.188 -6.009 -8.078 1.00 3.23 H new ATOM 0 HG3 LYS A 98 -0.498 -5.767 -7.666 1.00 3.23 H new ATOM 0 HD2 LYS A 98 -0.854 -4.518 -9.782 1.00 4.30 H new ATOM 0 HD3 LYS A 98 0.840 -4.699 -10.190 1.00 4.30 H new ATOM 0 HE2 LYS A 98 -0.407 -6.366 -11.418 1.00 41.02 H new ATOM 0 HE3 LYS A 98 0.548 -7.190 -10.201 1.00 41.02 H new ATOM 0 HZ1 LYS A 98 -2.152 -7.422 -10.598 1.00 25.14 H new ATOM 0 HZ2 LYS A 98 -1.273 -8.005 -9.268 1.00 25.14 H new ATOM 0 HZ3 LYS A 98 -2.025 -6.485 -9.187 1.00 25.14 H new ATOM 1597 N ARG A 99 2.072 -6.199 -5.357 1.00 3.54 N ATOM 1598 CA ARG A 99 3.101 -7.217 -5.226 1.00 12.13 C ATOM 1599 C ARG A 99 3.239 -7.967 -6.544 1.00 41.43 C ATOM 1600 O ARG A 99 2.248 -8.468 -7.086 1.00 22.55 O ATOM 1601 CB ARG A 99 2.775 -8.191 -4.084 1.00 2.24 C ATOM 1602 CG ARG A 99 3.935 -9.120 -3.732 1.00 54.15 C ATOM 1603 CD ARG A 99 3.602 -10.035 -2.563 1.00 23.31 C ATOM 1604 NE ARG A 99 2.499 -10.939 -2.878 1.00 71.34 N ATOM 1605 CZ ARG A 99 2.289 -12.111 -2.276 1.00 40.14 C ATOM 1606 NH1 ARG A 99 3.079 -12.514 -1.287 1.00 44.14 N ATOM 1607 NH2 ARG A 99 1.265 -12.861 -2.645 1.00 14.21 N ATOM 0 H ARG A 99 1.173 -6.450 -4.947 1.00 3.54 H new ATOM 0 HA ARG A 99 4.046 -6.731 -4.984 1.00 12.13 H new ATOM 0 HB2 ARG A 99 2.494 -7.621 -3.199 1.00 2.24 H new ATOM 0 HB3 ARG A 99 1.910 -8.792 -4.364 1.00 2.24 H new ATOM 0 HG2 ARG A 99 4.192 -9.724 -4.602 1.00 54.15 H new ATOM 0 HG3 ARG A 99 4.814 -8.524 -3.486 1.00 54.15 H new ATOM 0 HD2 ARG A 99 4.484 -10.617 -2.295 1.00 23.31 H new ATOM 0 HD3 ARG A 99 3.341 -9.433 -1.693 1.00 23.31 H new ATOM 0 HE ARG A 99 1.845 -10.655 -3.608 1.00 71.34 H new ATOM 0 HH11 ARG A 99 3.854 -11.926 -0.982 1.00 44.14 H new ATOM 0 HH12 ARG A 99 2.910 -13.412 -0.833 1.00 44.14 H new ATOM 0 HH21 ARG A 99 0.641 -12.543 -3.386 1.00 14.21 H new ATOM 0 HH22 ARG A 99 1.099 -13.758 -2.189 1.00 14.21 H new ATOM 1621 N ILE A 100 4.462 -8.032 -7.053 1.00 14.43 N ATOM 1622 CA ILE A 100 4.735 -8.635 -8.351 1.00 23.42 C ATOM 1623 C ILE A 100 4.267 -10.090 -8.384 1.00 2.52 C ATOM 1624 O ILE A 100 3.435 -10.462 -9.213 1.00 24.42 O ATOM 1625 CB ILE A 100 6.245 -8.559 -8.687 1.00 40.02 C ATOM 1626 CG1 ILE A 100 6.756 -7.117 -8.502 1.00 32.22 C ATOM 1627 CG2 ILE A 100 6.510 -9.050 -10.113 1.00 33.23 C ATOM 1628 CD1 ILE A 100 6.002 -6.084 -9.312 1.00 20.40 C ATOM 0 H ILE A 100 5.290 -7.670 -6.580 1.00 14.43 H new ATOM 0 HA ILE A 100 4.181 -8.072 -9.102 1.00 23.42 H new ATOM 0 HB ILE A 100 6.787 -9.211 -8.002 1.00 40.02 H new ATOM 0 HG12 ILE A 100 6.691 -6.853 -7.446 1.00 32.22 H new ATOM 0 HG13 ILE A 100 7.810 -7.079 -8.776 1.00 32.22 H new ATOM 0 HG21 ILE A 100 7.577 -8.988 -10.327 1.00 33.23 H new ATOM 0 HG22 ILE A 100 6.181 -10.085 -10.209 1.00 33.23 H new ATOM 0 HG23 ILE A 100 5.961 -8.428 -10.820 1.00 33.23 H new ATOM 0 HD11 ILE A 100 6.424 -5.096 -9.125 1.00 20.40 H new ATOM 0 HD12 ILE A 100 6.087 -6.320 -10.373 1.00 20.40 H new ATOM 0 HD13 ILE A 100 4.951 -6.091 -9.022 1.00 20.40 H new ATOM 1640 N ARG A 101 4.798 -10.891 -7.456 1.00 23.20 N ATOM 1641 CA ARG A 101 4.430 -12.303 -7.325 1.00 11.42 C ATOM 1642 C ARG A 101 5.274 -12.953 -6.234 1.00 32.54 C ATOM 1643 O ARG A 101 4.753 -13.554 -5.296 1.00 51.54 O ATOM 1644 CB ARG A 101 4.620 -13.049 -8.658 1.00 60.33 C ATOM 1645 CG ARG A 101 4.273 -14.533 -8.600 1.00 51.23 C ATOM 1646 CD ARG A 101 4.278 -15.163 -9.988 1.00 40.10 C ATOM 1647 NE ARG A 101 5.557 -14.976 -10.678 1.00 30.42 N ATOM 1648 CZ ARG A 101 5.716 -14.223 -11.770 1.00 73.03 C ATOM 1649 NH1 ARG A 101 4.679 -13.581 -12.299 1.00 72.43 N ATOM 1650 NH2 ARG A 101 6.912 -14.116 -12.336 1.00 32.13 N ATOM 0 H ARG A 101 5.493 -10.580 -6.777 1.00 23.20 H new ATOM 0 HA ARG A 101 3.376 -12.363 -7.053 1.00 11.42 H new ATOM 0 HB2 ARG A 101 4.002 -12.573 -9.419 1.00 60.33 H new ATOM 0 HB3 ARG A 101 5.657 -12.942 -8.976 1.00 60.33 H new ATOM 0 HG2 ARG A 101 4.989 -15.050 -7.962 1.00 51.23 H new ATOM 0 HG3 ARG A 101 3.291 -14.660 -8.145 1.00 51.23 H new ATOM 0 HD2 ARG A 101 4.066 -16.229 -9.902 1.00 40.10 H new ATOM 0 HD3 ARG A 101 3.478 -14.727 -10.586 1.00 40.10 H new ATOM 0 HE ARG A 101 6.377 -15.450 -10.301 1.00 30.42 H new ATOM 0 HH11 ARG A 101 3.757 -13.662 -11.871 1.00 72.43 H new ATOM 0 HH12 ARG A 101 4.806 -13.007 -13.133 1.00 72.43 H new ATOM 0 HH21 ARG A 101 7.711 -14.609 -11.937 1.00 32.13 H new ATOM 0 HH22 ARG A 101 7.032 -13.541 -13.170 1.00 32.13 H new ATOM 1664 N LYS A 102 6.587 -12.808 -6.369 1.00 44.15 N ATOM 1665 CA LYS A 102 7.547 -13.357 -5.412 1.00 4.43 C ATOM 1666 C LYS A 102 8.704 -12.378 -5.231 1.00 73.42 C ATOM 1667 O LYS A 102 8.614 -11.220 -5.648 1.00 21.13 O ATOM 1668 CB LYS A 102 8.080 -14.715 -5.902 1.00 35.24 C ATOM 1669 CG LYS A 102 7.024 -15.814 -5.949 1.00 70.35 C ATOM 1670 CD LYS A 102 7.591 -17.131 -6.471 1.00 4.11 C ATOM 1671 CE LYS A 102 6.558 -18.247 -6.407 1.00 51.44 C ATOM 1672 NZ LYS A 102 6.085 -18.482 -5.016 1.00 50.44 N ATOM 0 H LYS A 102 7.019 -12.306 -7.145 1.00 44.15 H new ATOM 0 HA LYS A 102 7.046 -13.507 -4.456 1.00 4.43 H new ATOM 0 HB2 LYS A 102 8.504 -14.590 -6.898 1.00 35.24 H new ATOM 0 HB3 LYS A 102 8.892 -15.033 -5.248 1.00 35.24 H new ATOM 0 HG2 LYS A 102 6.615 -15.966 -4.950 1.00 70.35 H new ATOM 0 HG3 LYS A 102 6.199 -15.497 -6.587 1.00 70.35 H new ATOM 0 HD2 LYS A 102 7.925 -17.002 -7.500 1.00 4.11 H new ATOM 0 HD3 LYS A 102 8.466 -17.410 -5.884 1.00 4.11 H new ATOM 0 HE2 LYS A 102 5.709 -17.993 -7.042 1.00 51.44 H new ATOM 0 HE3 LYS A 102 6.990 -19.166 -6.804 1.00 51.44 H new ATOM 0 HZ1 LYS A 102 5.633 -19.417 -4.956 1.00 50.44 H new ATOM 0 HZ2 LYS A 102 6.894 -18.446 -4.363 1.00 50.44 H new ATOM 0 HZ3 LYS A 102 5.397 -17.747 -4.755 1.00 50.44 H new ATOM 1686 N LEU A 103 9.777 -12.841 -4.596 1.00 5.10 N ATOM 1687 CA LEU A 103 10.997 -12.056 -4.448 1.00 52.34 C ATOM 1688 C LEU A 103 12.173 -12.895 -4.929 1.00 62.53 C ATOM 1689 O LEU A 103 12.468 -13.950 -4.352 1.00 1.22 O ATOM 1690 CB LEU A 103 11.184 -11.635 -2.978 1.00 31.34 C ATOM 1691 CG LEU A 103 12.294 -10.601 -2.674 1.00 64.42 C ATOM 1692 CD1 LEU A 103 13.688 -11.225 -2.722 1.00 42.45 C ATOM 1693 CD2 LEU A 103 12.203 -9.417 -3.630 1.00 10.22 C ATOM 0 H LEU A 103 9.825 -13.767 -4.171 1.00 5.10 H new ATOM 0 HA LEU A 103 10.933 -11.147 -5.046 1.00 52.34 H new ATOM 0 HB2 LEU A 103 10.238 -11.230 -2.620 1.00 31.34 H new ATOM 0 HB3 LEU A 103 11.389 -12.532 -2.393 1.00 31.34 H new ATOM 0 HG LEU A 103 12.133 -10.244 -1.657 1.00 64.42 H new ATOM 0 HD11 LEU A 103 14.436 -10.463 -2.503 1.00 42.45 H new ATOM 0 HD12 LEU A 103 13.755 -12.023 -1.982 1.00 42.45 H new ATOM 0 HD13 LEU A 103 13.869 -11.635 -3.715 1.00 42.45 H new ATOM 0 HD21 LEU A 103 12.992 -8.702 -3.399 1.00 10.22 H new ATOM 0 HD22 LEU A 103 12.319 -9.768 -4.655 1.00 10.22 H new ATOM 0 HD23 LEU A 103 11.232 -8.934 -3.520 1.00 10.22 H new