USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 412 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 26 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.2!) USER MOD Set 1.2: A 30 TYR OH : rot 30:sc= 0.0143 USER MOD Single : A 11 MET CE :methyl 158:sc= -0.665 (180deg=-1.89) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 152:sc= -1.75 (180deg=-3.85!) USER MOD Single : A 20 THR OG1 : rot -61:sc= 1.14 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.0792 X(o=-0.079,f=-0.13) USER MOD Single : A 40 HIS : no HE2:sc= -0.856 K(o=-0.86,f=-1.9!) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.15) USER MOD Single : A 55 THR OG1 : rot 31:sc= 0.0348 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.366 X(o=-0.37,f=0.016) USER MOD Single : A 60 TYR OH : rot 29:sc= 0.103 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 65 LYS NZ :NH3+ -114:sc= 1 (180deg=-1.15!) USER MOD ----------------------------------------------------------------- ATOM 134 N GLU A 9 5.854 -22.145 11.141 1.00 72.24 N ATOM 135 CA GLU A 9 5.781 -22.540 12.552 1.00 32.42 C ATOM 136 C GLU A 9 6.720 -23.718 12.859 1.00 62.14 C ATOM 137 O GLU A 9 6.451 -24.857 12.474 1.00 1.04 O ATOM 138 CB GLU A 9 4.336 -22.916 12.917 1.00 71.41 C ATOM 139 CG GLU A 9 3.302 -21.842 12.583 1.00 62.42 C ATOM 140 CD GLU A 9 3.552 -20.531 13.310 1.00 22.00 C ATOM 141 OE1 GLU A 9 3.366 -20.485 14.546 1.00 64.23 O ATOM 142 OE2 GLU A 9 3.944 -19.545 12.656 1.00 43.50 O ATOM 0 HA GLU A 9 6.102 -21.690 13.154 1.00 32.42 H new ATOM 0 HB2 GLU A 9 4.069 -23.835 12.395 1.00 71.41 H new ATOM 0 HB3 GLU A 9 4.288 -23.130 13.985 1.00 71.41 H new ATOM 0 HG2 GLU A 9 3.308 -21.662 11.508 1.00 62.42 H new ATOM 0 HG3 GLU A 9 2.308 -22.210 12.839 1.00 62.42 H new ATOM 149 N TRP A 10 7.829 -23.435 13.536 1.00 62.20 N ATOM 150 CA TRP A 10 8.760 -24.480 13.973 1.00 1.23 C ATOM 151 C TRP A 10 8.369 -25.023 15.356 1.00 12.23 C ATOM 152 O TRP A 10 8.027 -24.256 16.260 1.00 75.41 O ATOM 153 CB TRP A 10 10.191 -23.935 14.036 1.00 3.40 C ATOM 154 CG TRP A 10 10.688 -23.386 12.731 1.00 43.04 C ATOM 155 CD1 TRP A 10 10.656 -22.082 12.324 1.00 1.24 C ATOM 156 CD2 TRP A 10 11.296 -24.126 11.667 1.00 24.32 C ATOM 157 NE1 TRP A 10 11.211 -21.967 11.075 1.00 42.54 N ATOM 158 CE2 TRP A 10 11.608 -23.208 10.648 1.00 4.35 C ATOM 159 CE3 TRP A 10 11.607 -25.478 11.478 1.00 3.11 C ATOM 160 CZ2 TRP A 10 12.215 -23.597 9.458 1.00 24.55 C ATOM 161 CZ3 TRP A 10 12.209 -25.862 10.294 1.00 31.22 C ATOM 162 CH2 TRP A 10 12.509 -24.925 9.298 1.00 32.10 C ATOM 0 H TRP A 10 8.109 -22.489 13.796 1.00 62.20 H new ATOM 0 HA TRP A 10 8.710 -25.289 13.245 1.00 1.23 H new ATOM 0 HB2 TRP A 10 10.238 -23.150 14.791 1.00 3.40 H new ATOM 0 HB3 TRP A 10 10.859 -24.732 14.362 1.00 3.40 H new ATOM 0 HD1 TRP A 10 10.253 -21.263 12.901 1.00 1.24 H new ATOM 0 HE1 TRP A 10 11.312 -21.099 10.549 1.00 42.54 H new ATOM 0 HE3 TRP A 10 11.381 -26.207 12.242 1.00 3.11 H new ATOM 0 HZ2 TRP A 10 12.446 -22.877 8.687 1.00 24.55 H new ATOM 0 HZ3 TRP A 10 12.452 -26.902 10.135 1.00 31.22 H new ATOM 0 HH2 TRP A 10 12.982 -25.256 8.385 1.00 32.10 H new ATOM 173 N MET A 11 8.420 -26.343 15.521 1.00 34.13 N ATOM 174 CA MET A 11 8.127 -26.969 16.818 1.00 53.14 C ATOM 175 C MET A 11 8.752 -28.367 16.931 1.00 20.41 C ATOM 176 O MET A 11 8.987 -29.038 15.927 1.00 23.35 O ATOM 177 CB MET A 11 6.609 -27.039 17.046 1.00 42.41 C ATOM 178 CG MET A 11 5.840 -27.737 15.933 1.00 35.12 C ATOM 179 SD MET A 11 4.054 -27.693 16.198 1.00 44.15 S ATOM 180 CE MET A 11 3.751 -25.926 16.229 1.00 64.43 C ATOM 0 H MET A 11 8.660 -27.001 14.780 1.00 34.13 H new ATOM 0 HA MET A 11 8.575 -26.347 17.593 1.00 53.14 H new ATOM 0 HB2 MET A 11 6.418 -27.559 17.985 1.00 42.41 H new ATOM 0 HB3 MET A 11 6.223 -26.026 17.158 1.00 42.41 H new ATOM 0 HG2 MET A 11 6.075 -27.263 14.980 1.00 35.12 H new ATOM 0 HG3 MET A 11 6.169 -28.774 15.863 1.00 35.12 H new ATOM 0 HE1 MET A 11 2.704 -25.732 15.994 1.00 64.43 H new ATOM 0 HE2 MET A 11 3.978 -25.535 17.221 1.00 64.43 H new ATOM 0 HE3 MET A 11 4.386 -25.435 15.491 1.00 64.43 H new ATOM 190 N VAL A 12 9.031 -28.791 18.164 1.00 34.44 N ATOM 191 CA VAL A 12 9.608 -30.118 18.422 1.00 20.32 C ATOM 192 C VAL A 12 8.523 -31.209 18.449 1.00 65.22 C ATOM 193 O VAL A 12 7.335 -30.906 18.379 1.00 14.34 O ATOM 194 CB VAL A 12 10.395 -30.134 19.756 1.00 72.04 C ATOM 195 CG1 VAL A 12 11.604 -29.203 19.681 1.00 24.12 C ATOM 196 CG2 VAL A 12 9.487 -29.754 20.928 1.00 4.44 C ATOM 0 H VAL A 12 8.868 -28.236 19.004 1.00 34.44 H new ATOM 0 HA VAL A 12 10.295 -30.332 17.603 1.00 20.32 H new ATOM 0 HB VAL A 12 10.757 -31.148 19.925 1.00 72.04 H new ATOM 0 HG11 VAL A 12 12.143 -29.229 20.628 1.00 24.12 H new ATOM 0 HG12 VAL A 12 12.265 -29.529 18.878 1.00 24.12 H new ATOM 0 HG13 VAL A 12 11.268 -28.185 19.483 1.00 24.12 H new ATOM 0 HG21 VAL A 12 10.062 -29.772 21.854 1.00 4.44 H new ATOM 0 HG22 VAL A 12 9.087 -28.753 20.769 1.00 4.44 H new ATOM 0 HG23 VAL A 12 8.665 -30.466 20.997 1.00 4.44 H new ATOM 206 N GLU A 13 8.938 -32.473 18.572 1.00 11.42 N ATOM 207 CA GLU A 13 8.005 -33.613 18.513 1.00 74.12 C ATOM 208 C GLU A 13 6.924 -33.536 19.609 1.00 54.43 C ATOM 209 O GLU A 13 5.727 -33.645 19.323 1.00 52.14 O ATOM 210 CB GLU A 13 8.783 -34.936 18.626 1.00 61.43 C ATOM 211 CG GLU A 13 7.917 -36.184 18.451 1.00 3.12 C ATOM 212 CD GLU A 13 8.718 -37.477 18.519 1.00 64.11 C ATOM 213 OE1 GLU A 13 9.353 -37.844 17.508 1.00 75.13 O ATOM 214 OE2 GLU A 13 8.718 -38.129 19.586 1.00 12.33 O ATOM 0 H GLU A 13 9.913 -32.738 18.713 1.00 11.42 H new ATOM 0 HA GLU A 13 7.495 -33.570 17.551 1.00 74.12 H new ATOM 0 HB2 GLU A 13 9.573 -34.946 17.875 1.00 61.43 H new ATOM 0 HB3 GLU A 13 9.269 -34.978 19.601 1.00 61.43 H new ATOM 0 HG2 GLU A 13 7.149 -36.198 19.224 1.00 3.12 H new ATOM 0 HG3 GLU A 13 7.403 -36.131 17.491 1.00 3.12 H new ATOM 221 N LYS A 14 7.347 -33.336 20.857 1.00 35.05 N ATOM 222 CA LYS A 14 6.409 -33.248 21.985 1.00 73.21 C ATOM 223 C LYS A 14 5.436 -32.068 21.802 1.00 62.22 C ATOM 224 O LYS A 14 4.254 -32.171 22.115 1.00 73.13 O ATOM 225 CB LYS A 14 7.182 -33.132 23.314 1.00 21.30 C ATOM 226 CG LYS A 14 6.331 -33.384 24.567 1.00 14.23 C ATOM 227 CD LYS A 14 5.620 -32.126 25.068 1.00 14.52 C ATOM 228 CE LYS A 14 6.594 -31.138 25.705 1.00 41.15 C ATOM 229 NZ LYS A 14 5.903 -29.923 26.214 1.00 74.13 N ATOM 0 H LYS A 14 8.328 -33.232 21.116 1.00 35.05 H new ATOM 0 HA LYS A 14 5.815 -34.162 22.013 1.00 73.21 H new ATOM 0 HB2 LYS A 14 8.009 -33.842 23.302 1.00 21.30 H new ATOM 0 HB3 LYS A 14 7.619 -32.135 23.381 1.00 21.30 H new ATOM 0 HG2 LYS A 14 5.589 -34.151 24.347 1.00 14.23 H new ATOM 0 HG3 LYS A 14 6.968 -33.775 25.360 1.00 14.23 H new ATOM 0 HD2 LYS A 14 5.106 -31.644 24.237 1.00 14.52 H new ATOM 0 HD3 LYS A 14 4.858 -32.405 25.796 1.00 14.52 H new ATOM 0 HE2 LYS A 14 7.120 -31.626 26.525 1.00 41.15 H new ATOM 0 HE3 LYS A 14 7.346 -30.847 24.972 1.00 41.15 H new ATOM 0 HZ1 LYS A 14 6.601 -29.279 26.638 1.00 74.13 H new ATOM 0 HZ2 LYS A 14 5.422 -29.442 25.427 1.00 74.13 H new ATOM 0 HZ3 LYS A 14 5.203 -30.197 26.933 1.00 74.13 H new ATOM 243 N ALA A 15 5.935 -30.954 21.275 1.00 65.10 N ATOM 244 CA ALA A 15 5.084 -29.796 20.979 1.00 70.22 C ATOM 245 C ALA A 15 4.148 -30.088 19.794 1.00 74.25 C ATOM 246 O ALA A 15 2.973 -29.716 19.803 1.00 72.10 O ATOM 247 CB ALA A 15 5.946 -28.574 20.686 1.00 13.53 C ATOM 0 H ALA A 15 6.920 -30.824 21.043 1.00 65.10 H new ATOM 0 HA ALA A 15 4.467 -29.592 21.854 1.00 70.22 H new ATOM 0 HB1 ALA A 15 5.305 -27.720 20.468 1.00 13.53 H new ATOM 0 HB2 ALA A 15 6.566 -28.349 21.554 1.00 13.53 H new ATOM 0 HB3 ALA A 15 6.585 -28.777 19.827 1.00 13.53 H new ATOM 253 N LEU A 16 4.677 -30.790 18.796 1.00 74.42 N ATOM 254 CA LEU A 16 3.940 -31.097 17.567 1.00 53.34 C ATOM 255 C LEU A 16 2.656 -31.887 17.872 1.00 55.42 C ATOM 256 O LEU A 16 1.577 -31.546 17.383 1.00 23.54 O ATOM 257 CB LEU A 16 4.860 -31.871 16.598 1.00 30.32 C ATOM 258 CG LEU A 16 4.383 -32.001 15.135 1.00 4.00 C ATOM 259 CD1 LEU A 16 3.332 -33.098 14.977 1.00 11.51 C ATOM 260 CD2 LEU A 16 3.855 -30.662 14.622 1.00 4.14 C ATOM 0 H LEU A 16 5.626 -31.163 18.813 1.00 74.42 H new ATOM 0 HA LEU A 16 3.634 -30.164 17.093 1.00 53.34 H new ATOM 0 HB2 LEU A 16 5.835 -31.384 16.595 1.00 30.32 H new ATOM 0 HB3 LEU A 16 5.006 -32.875 16.998 1.00 30.32 H new ATOM 0 HG LEU A 16 5.244 -32.289 14.531 1.00 4.00 H new ATOM 0 HD11 LEU A 16 3.022 -33.158 13.934 1.00 11.51 H new ATOM 0 HD12 LEU A 16 3.755 -34.054 15.285 1.00 11.51 H new ATOM 0 HD13 LEU A 16 2.468 -32.866 15.599 1.00 11.51 H new ATOM 0 HD21 LEU A 16 3.523 -30.773 13.590 1.00 4.14 H new ATOM 0 HD22 LEU A 16 3.016 -30.341 15.240 1.00 4.14 H new ATOM 0 HD23 LEU A 16 4.648 -29.916 14.670 1.00 4.14 H new ATOM 272 N MET A 17 2.769 -32.932 18.693 1.00 60.55 N ATOM 273 CA MET A 17 1.596 -33.730 19.080 1.00 41.02 C ATOM 274 C MET A 17 0.545 -32.866 19.805 1.00 12.41 C ATOM 275 O MET A 17 -0.659 -33.062 19.635 1.00 74.22 O ATOM 276 CB MET A 17 2.007 -34.920 19.966 1.00 31.24 C ATOM 277 CG MET A 17 2.577 -34.527 21.321 1.00 44.44 C ATOM 278 SD MET A 17 3.206 -35.935 22.253 1.00 2.33 S ATOM 279 CE MET A 17 4.571 -36.455 21.214 1.00 52.55 C ATOM 0 H MET A 17 3.649 -33.246 19.101 1.00 60.55 H new ATOM 0 HA MET A 17 1.148 -34.116 18.164 1.00 41.02 H new ATOM 0 HB2 MET A 17 1.137 -35.558 20.122 1.00 31.24 H new ATOM 0 HB3 MET A 17 2.748 -35.516 19.433 1.00 31.24 H new ATOM 0 HG2 MET A 17 3.381 -33.806 21.176 1.00 44.44 H new ATOM 0 HG3 MET A 17 1.803 -34.028 21.904 1.00 44.44 H new ATOM 0 HE1 MET A 17 5.332 -36.938 21.827 1.00 52.55 H new ATOM 0 HE2 MET A 17 4.210 -37.158 20.463 1.00 52.55 H new ATOM 0 HE3 MET A 17 5.003 -35.585 20.719 1.00 52.55 H new ATOM 289 N VAL A 18 1.007 -31.891 20.590 1.00 13.34 N ATOM 290 CA VAL A 18 0.110 -30.998 21.340 1.00 34.14 C ATOM 291 C VAL A 18 -0.520 -29.925 20.430 1.00 23.25 C ATOM 292 O VAL A 18 -1.608 -29.421 20.711 1.00 51.10 O ATOM 293 CB VAL A 18 0.859 -30.299 22.507 1.00 61.25 C ATOM 294 CG1 VAL A 18 -0.082 -29.401 23.315 1.00 23.02 C ATOM 295 CG2 VAL A 18 1.530 -31.332 23.410 1.00 51.03 C ATOM 0 H VAL A 18 1.999 -31.696 20.726 1.00 13.34 H new ATOM 0 HA VAL A 18 -0.684 -31.625 21.745 1.00 34.14 H new ATOM 0 HB VAL A 18 1.632 -29.664 22.075 1.00 61.25 H new ATOM 0 HG11 VAL A 18 0.473 -28.927 24.124 1.00 23.02 H new ATOM 0 HG12 VAL A 18 -0.501 -28.634 22.664 1.00 23.02 H new ATOM 0 HG13 VAL A 18 -0.889 -30.003 23.733 1.00 23.02 H new ATOM 0 HG21 VAL A 18 2.050 -30.823 24.222 1.00 51.03 H new ATOM 0 HG22 VAL A 18 0.774 -31.998 23.825 1.00 51.03 H new ATOM 0 HG23 VAL A 18 2.246 -31.913 22.829 1.00 51.03 H new ATOM 305 N ARG A 19 0.172 -29.570 19.344 1.00 53.31 N ATOM 306 CA ARG A 19 -0.314 -28.534 18.412 1.00 30.54 C ATOM 307 C ARG A 19 -1.093 -29.124 17.223 1.00 34.12 C ATOM 308 O ARG A 19 -1.781 -28.395 16.502 1.00 14.05 O ATOM 309 CB ARG A 19 0.863 -27.684 17.908 1.00 62.35 C ATOM 310 CG ARG A 19 1.630 -26.954 19.017 1.00 23.40 C ATOM 311 CD ARG A 19 0.762 -25.940 19.769 1.00 52.13 C ATOM 312 NE ARG A 19 -0.316 -26.580 20.522 1.00 64.23 N ATOM 313 CZ ARG A 19 -1.375 -25.965 20.974 1.00 25.13 C ATOM 314 NH1 ARG A 19 -1.522 -24.690 20.813 1.00 14.34 N ATOM 315 NH2 ARG A 19 -2.294 -26.643 21.575 1.00 54.14 N ATOM 0 H ARG A 19 1.069 -29.980 19.084 1.00 53.31 H new ATOM 0 HA ARG A 19 -1.010 -27.905 18.966 1.00 30.54 H new ATOM 0 HB2 ARG A 19 1.556 -28.328 17.366 1.00 62.35 H new ATOM 0 HB3 ARG A 19 0.487 -26.949 17.197 1.00 62.35 H new ATOM 0 HG2 ARG A 19 2.022 -27.685 19.724 1.00 23.40 H new ATOM 0 HG3 ARG A 19 2.487 -26.440 18.582 1.00 23.40 H new ATOM 0 HD2 ARG A 19 1.388 -25.366 20.452 1.00 52.13 H new ATOM 0 HD3 ARG A 19 0.335 -25.233 19.058 1.00 52.13 H new ATOM 0 HE ARG A 19 -0.234 -27.580 20.708 1.00 64.23 H new ATOM 0 HH11 ARG A 19 -0.805 -24.151 20.327 1.00 14.34 H new ATOM 0 HH12 ARG A 19 -2.355 -24.223 21.172 1.00 14.34 H new ATOM 0 HH21 ARG A 19 -2.189 -27.651 21.693 1.00 54.14 H new ATOM 0 HH22 ARG A 19 -3.125 -26.171 21.932 1.00 54.14 H new ATOM 329 N THR A 20 -0.981 -30.433 17.008 1.00 33.23 N ATOM 330 CA THR A 20 -1.718 -31.106 15.917 1.00 34.34 C ATOM 331 C THR A 20 -2.858 -31.993 16.438 1.00 1.14 C ATOM 332 O THR A 20 -3.866 -32.189 15.757 1.00 31.31 O ATOM 333 CB THR A 20 -0.785 -31.988 15.061 1.00 41.41 C ATOM 334 OG1 THR A 20 -0.165 -32.990 15.886 1.00 34.21 O ATOM 335 CG2 THR A 20 0.286 -31.152 14.369 1.00 22.10 C ATOM 0 H THR A 20 -0.394 -31.053 17.565 1.00 33.23 H new ATOM 0 HA THR A 20 -2.136 -30.302 15.312 1.00 34.34 H new ATOM 0 HB THR A 20 -1.388 -32.471 14.292 1.00 41.41 H new ATOM 0 HG1 THR A 20 0.373 -32.555 16.580 1.00 34.21 H new ATOM 0 HG21 THR A 20 0.927 -31.802 13.774 1.00 22.10 H new ATOM 0 HG22 THR A 20 -0.189 -30.418 13.719 1.00 22.10 H new ATOM 0 HG23 THR A 20 0.887 -30.638 15.119 1.00 22.10 H new ATOM 343 N GLY A 21 -2.690 -32.536 17.641 1.00 30.35 N ATOM 344 CA GLY A 21 -3.670 -33.468 18.192 1.00 2.05 C ATOM 345 C GLY A 21 -3.258 -34.928 18.010 1.00 72.13 C ATOM 346 O GLY A 21 -3.975 -35.842 18.420 1.00 32.01 O ATOM 0 H GLY A 21 -1.892 -32.349 18.248 1.00 30.35 H new ATOM 0 HA2 GLY A 21 -3.805 -33.262 19.254 1.00 2.05 H new ATOM 0 HA3 GLY A 21 -4.634 -33.303 17.710 1.00 2.05 H new ATOM 350 N LEU A 22 -2.098 -35.146 17.390 1.00 61.34 N ATOM 351 CA LEU A 22 -1.564 -36.501 17.179 1.00 3.15 C ATOM 352 C LEU A 22 -0.922 -37.074 18.455 1.00 41.34 C ATOM 353 O LEU A 22 -0.870 -36.416 19.497 1.00 0.43 O ATOM 354 CB LEU A 22 -0.525 -36.495 16.039 1.00 35.51 C ATOM 355 CG LEU A 22 -1.090 -36.534 14.605 1.00 12.42 C ATOM 356 CD1 LEU A 22 -2.066 -35.387 14.359 1.00 55.14 C ATOM 357 CD2 LEU A 22 0.050 -36.500 13.585 1.00 23.14 C ATOM 0 H LEU A 22 -1.505 -34.402 17.022 1.00 61.34 H new ATOM 0 HA LEU A 22 -2.405 -37.139 16.909 1.00 3.15 H new ATOM 0 HB2 LEU A 22 0.091 -35.601 16.141 1.00 35.51 H new ATOM 0 HB3 LEU A 22 0.134 -37.353 16.171 1.00 35.51 H new ATOM 0 HG LEU A 22 -1.641 -37.467 14.486 1.00 12.42 H new ATOM 0 HD11 LEU A 22 -2.445 -35.444 13.339 1.00 55.14 H new ATOM 0 HD12 LEU A 22 -2.898 -35.460 15.060 1.00 55.14 H new ATOM 0 HD13 LEU A 22 -1.553 -34.436 14.502 1.00 55.14 H new ATOM 0 HD21 LEU A 22 -0.363 -36.528 12.577 1.00 23.14 H new ATOM 0 HD22 LEU A 22 0.628 -35.585 13.715 1.00 23.14 H new ATOM 0 HD23 LEU A 22 0.699 -37.363 13.735 1.00 23.14 H new ATOM 369 N GLY A 23 -0.439 -38.312 18.361 1.00 10.11 N ATOM 370 CA GLY A 23 0.274 -38.938 19.471 1.00 23.14 C ATOM 371 C GLY A 23 1.736 -39.227 19.140 1.00 72.54 C ATOM 372 O GLY A 23 2.143 -39.148 17.980 1.00 21.01 O ATOM 0 H GLY A 23 -0.528 -38.898 17.531 1.00 10.11 H new ATOM 0 HA2 GLY A 23 0.225 -38.287 20.343 1.00 23.14 H new ATOM 0 HA3 GLY A 23 -0.225 -39.869 19.740 1.00 23.14 H new ATOM 376 N ALA A 24 2.524 -39.581 20.155 1.00 54.52 N ATOM 377 CA ALA A 24 3.959 -39.836 19.973 1.00 25.21 C ATOM 378 C ALA A 24 4.216 -40.961 18.961 1.00 60.21 C ATOM 379 O ALA A 24 5.071 -40.833 18.080 1.00 50.34 O ATOM 380 CB ALA A 24 4.606 -40.174 21.310 1.00 12.33 C ATOM 0 H ALA A 24 2.196 -39.699 21.114 1.00 54.52 H new ATOM 0 HA ALA A 24 4.407 -38.926 19.574 1.00 25.21 H new ATOM 0 HB1 ALA A 24 5.670 -40.361 21.163 1.00 12.33 H new ATOM 0 HB2 ALA A 24 4.476 -39.339 21.998 1.00 12.33 H new ATOM 0 HB3 ALA A 24 4.135 -41.064 21.727 1.00 12.33 H new ATOM 386 N ARG A 25 3.465 -42.057 19.083 1.00 74.04 N ATOM 387 CA ARG A 25 3.622 -43.202 18.177 1.00 21.32 C ATOM 388 C ARG A 25 3.235 -42.827 16.739 1.00 2.40 C ATOM 389 O ARG A 25 3.891 -43.228 15.778 1.00 64.02 O ATOM 390 CB ARG A 25 2.759 -44.383 18.638 1.00 4.14 C ATOM 391 CG ARG A 25 3.078 -45.696 17.922 1.00 43.44 C ATOM 392 CD ARG A 25 1.901 -46.663 17.963 1.00 41.10 C ATOM 393 NE ARG A 25 0.793 -46.185 17.137 1.00 72.13 N ATOM 394 CZ ARG A 25 -0.467 -46.259 17.465 1.00 41.34 C ATOM 395 NH1 ARG A 25 -0.828 -46.770 18.599 1.00 11.41 N ATOM 396 NH2 ARG A 25 -1.365 -45.818 16.647 1.00 44.31 N ATOM 0 H ARG A 25 2.745 -42.178 19.795 1.00 74.04 H new ATOM 0 HA ARG A 25 4.673 -43.491 18.199 1.00 21.32 H new ATOM 0 HB2 ARG A 25 2.894 -44.523 19.711 1.00 4.14 H new ATOM 0 HB3 ARG A 25 1.709 -44.138 18.478 1.00 4.14 H new ATOM 0 HG2 ARG A 25 3.343 -45.490 16.885 1.00 43.44 H new ATOM 0 HG3 ARG A 25 3.947 -46.161 18.386 1.00 43.44 H new ATOM 0 HD2 ARG A 25 2.221 -47.644 17.613 1.00 41.10 H new ATOM 0 HD3 ARG A 25 1.564 -46.786 18.992 1.00 41.10 H new ATOM 0 HE ARG A 25 1.023 -45.762 16.238 1.00 72.13 H new ATOM 0 HH11 ARG A 25 -0.123 -47.121 19.248 1.00 11.41 H new ATOM 0 HH12 ARG A 25 -1.817 -46.822 18.843 1.00 11.41 H new ATOM 0 HH21 ARG A 25 -1.086 -45.416 15.752 1.00 44.31 H new ATOM 0 HH22 ARG A 25 -2.353 -45.872 16.896 1.00 44.31 H new ATOM 410 N GLN A 26 2.155 -42.064 16.600 1.00 11.32 N ATOM 411 CA GLN A 26 1.680 -41.629 15.287 1.00 22.11 C ATOM 412 C GLN A 26 2.714 -40.724 14.593 1.00 14.40 C ATOM 413 O GLN A 26 2.966 -40.860 13.394 1.00 53.34 O ATOM 414 CB GLN A 26 0.332 -40.910 15.429 1.00 73.35 C ATOM 415 CG GLN A 26 -0.329 -40.578 14.099 1.00 71.21 C ATOM 416 CD GLN A 26 -1.765 -40.104 14.251 1.00 41.53 C ATOM 417 OE1 GLN A 26 -2.139 -39.523 15.264 1.00 31.34 O ATOM 418 NE2 GLN A 26 -2.579 -40.339 13.240 1.00 12.14 N ATOM 0 H GLN A 26 1.590 -41.732 17.382 1.00 11.32 H new ATOM 0 HA GLN A 26 1.543 -42.510 14.661 1.00 22.11 H new ATOM 0 HB2 GLN A 26 -0.343 -41.535 16.014 1.00 73.35 H new ATOM 0 HB3 GLN A 26 0.480 -39.988 15.991 1.00 73.35 H new ATOM 0 HG2 GLN A 26 0.251 -39.806 13.594 1.00 71.21 H new ATOM 0 HG3 GLN A 26 -0.309 -41.461 13.460 1.00 71.21 H new ATOM 0 HE21 GLN A 26 -2.236 -40.825 12.411 1.00 12.14 H new ATOM 0 HE22 GLN A 26 -3.551 -40.035 13.287 1.00 12.14 H new ATOM 427 N ILE A 27 3.326 -39.812 15.352 1.00 42.31 N ATOM 428 CA ILE A 27 4.378 -38.937 14.809 1.00 35.10 C ATOM 429 C ILE A 27 5.595 -39.744 14.328 1.00 13.11 C ATOM 430 O ILE A 27 6.022 -39.612 13.178 1.00 32.22 O ATOM 431 CB ILE A 27 4.855 -37.886 15.846 1.00 22.41 C ATOM 432 CG1 ILE A 27 3.693 -36.968 16.262 1.00 23.43 C ATOM 433 CG2 ILE A 27 6.022 -37.062 15.286 1.00 32.22 C ATOM 434 CD1 ILE A 27 4.082 -35.920 17.283 1.00 20.31 C ATOM 0 H ILE A 27 3.116 -39.657 16.338 1.00 42.31 H new ATOM 0 HA ILE A 27 3.928 -38.420 13.961 1.00 35.10 H new ATOM 0 HB ILE A 27 5.206 -38.416 16.732 1.00 22.41 H new ATOM 0 HG12 ILE A 27 3.299 -36.471 15.376 1.00 23.43 H new ATOM 0 HG13 ILE A 27 2.887 -37.578 16.670 1.00 23.43 H new ATOM 0 HG21 ILE A 27 6.341 -36.331 16.029 1.00 32.22 H new ATOM 0 HG22 ILE A 27 6.854 -37.725 15.048 1.00 32.22 H new ATOM 0 HG23 ILE A 27 5.701 -36.544 14.382 1.00 32.22 H new ATOM 0 HD11 ILE A 27 3.212 -35.310 17.528 1.00 20.31 H new ATOM 0 HD12 ILE A 27 4.448 -36.410 18.186 1.00 20.31 H new ATOM 0 HD13 ILE A 27 4.866 -35.285 16.871 1.00 20.31 H new ATOM 446 N GLU A 28 6.155 -40.580 15.210 1.00 72.52 N ATOM 447 CA GLU A 28 7.312 -41.412 14.849 1.00 71.23 C ATOM 448 C GLU A 28 6.982 -42.347 13.677 1.00 21.54 C ATOM 449 O GLU A 28 7.852 -42.691 12.877 1.00 71.54 O ATOM 450 CB GLU A 28 7.809 -42.219 16.059 1.00 52.21 C ATOM 451 CG GLU A 28 6.794 -43.217 16.599 1.00 53.33 C ATOM 452 CD GLU A 28 7.338 -44.055 17.746 1.00 45.44 C ATOM 453 OE1 GLU A 28 7.356 -43.565 18.895 1.00 33.43 O ATOM 454 OE2 GLU A 28 7.754 -45.207 17.505 1.00 13.23 O ATOM 0 H GLU A 28 5.831 -40.699 16.170 1.00 72.52 H new ATOM 0 HA GLU A 28 8.112 -40.743 14.532 1.00 71.23 H new ATOM 0 HB2 GLU A 28 8.715 -42.755 15.777 1.00 52.21 H new ATOM 0 HB3 GLU A 28 8.082 -41.528 16.856 1.00 52.21 H new ATOM 0 HG2 GLU A 28 5.908 -42.679 16.937 1.00 53.33 H new ATOM 0 HG3 GLU A 28 6.477 -43.878 15.792 1.00 53.33 H new ATOM 461 N SER A 29 5.714 -42.744 13.571 1.00 71.51 N ATOM 462 CA SER A 29 5.245 -43.554 12.440 1.00 31.21 C ATOM 463 C SER A 29 5.388 -42.789 11.115 1.00 15.33 C ATOM 464 O SER A 29 5.890 -43.325 10.127 1.00 25.45 O ATOM 465 CB SER A 29 3.784 -43.966 12.645 1.00 12.55 C ATOM 466 OG SER A 29 3.302 -44.743 11.554 1.00 33.25 O ATOM 0 H SER A 29 4.990 -42.519 14.254 1.00 71.51 H new ATOM 0 HA SER A 29 5.865 -44.449 12.392 1.00 31.21 H new ATOM 0 HB2 SER A 29 3.692 -44.538 13.568 1.00 12.55 H new ATOM 0 HB3 SER A 29 3.166 -43.075 12.759 1.00 12.55 H new ATOM 0 HG SER A 29 2.368 -44.991 11.716 1.00 33.25 H new ATOM 472 N TYR A 30 4.953 -41.529 11.097 1.00 44.34 N ATOM 473 CA TYR A 30 5.121 -40.681 9.910 1.00 1.35 C ATOM 474 C TYR A 30 6.603 -40.341 9.680 1.00 61.31 C ATOM 475 O TYR A 30 7.037 -40.127 8.544 1.00 4.54 O ATOM 476 CB TYR A 30 4.290 -39.397 10.035 1.00 34.22 C ATOM 477 CG TYR A 30 2.791 -39.642 10.106 1.00 33.52 C ATOM 478 CD1 TYR A 30 2.162 -40.492 9.200 1.00 14.34 C ATOM 479 CD2 TYR A 30 2.008 -39.034 11.083 1.00 44.40 C ATOM 480 CE1 TYR A 30 0.800 -40.724 9.264 1.00 24.20 C ATOM 481 CE2 TYR A 30 0.647 -39.265 11.154 1.00 24.34 C ATOM 482 CZ TYR A 30 0.048 -40.110 10.245 1.00 51.02 C ATOM 483 OH TYR A 30 -1.311 -40.346 10.320 1.00 42.12 O ATOM 0 H TYR A 30 4.486 -41.074 11.881 1.00 44.34 H new ATOM 0 HA TYR A 30 4.762 -41.241 9.047 1.00 1.35 H new ATOM 0 HB2 TYR A 30 4.604 -38.858 10.929 1.00 34.22 H new ATOM 0 HB3 TYR A 30 4.504 -38.752 9.182 1.00 34.22 H new ATOM 0 HD1 TYR A 30 2.748 -40.978 8.434 1.00 14.34 H new ATOM 0 HD2 TYR A 30 2.472 -38.370 11.798 1.00 44.40 H new ATOM 0 HE1 TYR A 30 0.327 -41.382 8.550 1.00 24.20 H new ATOM 0 HE2 TYR A 30 0.055 -38.785 11.919 1.00 24.34 H new ATOM 0 HH TYR A 30 -1.505 -41.248 9.989 1.00 42.12 H new ATOM 493 N ARG A 31 7.375 -40.295 10.767 1.00 32.11 N ATOM 494 CA ARG A 31 8.834 -40.144 10.681 1.00 60.21 C ATOM 495 C ARG A 31 9.469 -41.323 9.922 1.00 11.22 C ATOM 496 O ARG A 31 10.523 -41.178 9.299 1.00 74.33 O ATOM 497 CB ARG A 31 9.454 -40.036 12.089 1.00 22.31 C ATOM 498 CG ARG A 31 9.236 -38.686 12.775 1.00 74.44 C ATOM 499 CD ARG A 31 9.736 -38.697 14.221 1.00 1.42 C ATOM 500 NE ARG A 31 11.049 -39.331 14.345 1.00 22.41 N ATOM 501 CZ ARG A 31 11.487 -39.921 15.429 1.00 42.21 C ATOM 502 NH1 ARG A 31 10.820 -39.853 16.540 1.00 32.31 N ATOM 503 NH2 ARG A 31 12.619 -40.551 15.404 1.00 52.03 N ATOM 0 H ARG A 31 7.016 -40.360 11.720 1.00 32.11 H new ATOM 0 HA ARG A 31 9.039 -39.226 10.131 1.00 60.21 H new ATOM 0 HB2 ARG A 31 9.035 -40.821 12.718 1.00 22.31 H new ATOM 0 HB3 ARG A 31 10.525 -40.224 12.016 1.00 22.31 H new ATOM 0 HG2 ARG A 31 9.755 -37.907 12.217 1.00 74.44 H new ATOM 0 HG3 ARG A 31 8.175 -38.437 12.759 1.00 74.44 H new ATOM 0 HD2 ARG A 31 9.792 -37.674 14.593 1.00 1.42 H new ATOM 0 HD3 ARG A 31 9.018 -39.225 14.848 1.00 1.42 H new ATOM 0 HE ARG A 31 11.665 -39.312 13.532 1.00 22.41 H new ATOM 0 HH11 ARG A 31 9.942 -39.335 16.577 1.00 32.31 H new ATOM 0 HH12 ARG A 31 11.174 -40.318 17.376 1.00 32.31 H new ATOM 0 HH21 ARG A 31 13.164 -40.586 14.543 1.00 52.03 H new ATOM 0 HH22 ARG A 31 12.965 -41.012 16.246 1.00 52.03 H new ATOM 517 N GLN A 32 8.819 -42.487 9.978 1.00 64.32 N ATOM 518 CA GLN A 32 9.318 -43.691 9.301 1.00 20.44 C ATOM 519 C GLN A 32 9.142 -43.620 7.772 1.00 5.03 C ATOM 520 O GLN A 32 9.970 -44.145 7.027 1.00 43.32 O ATOM 521 CB GLN A 32 8.612 -44.945 9.842 1.00 73.21 C ATOM 522 CG GLN A 32 8.858 -45.211 11.324 1.00 62.04 C ATOM 523 CD GLN A 32 10.323 -45.450 11.650 1.00 12.51 C ATOM 524 OE1 GLN A 32 11.066 -44.522 11.950 1.00 42.21 O ATOM 525 NE2 GLN A 32 10.753 -46.693 11.589 1.00 65.12 N ATOM 0 H GLN A 32 7.945 -42.624 10.485 1.00 64.32 H new ATOM 0 HA GLN A 32 10.386 -43.750 9.511 1.00 20.44 H new ATOM 0 HB2 GLN A 32 7.539 -44.845 9.676 1.00 73.21 H new ATOM 0 HB3 GLN A 32 8.944 -45.811 9.269 1.00 73.21 H new ATOM 0 HG2 GLN A 32 8.496 -44.362 11.905 1.00 62.04 H new ATOM 0 HG3 GLN A 32 8.276 -46.080 11.633 1.00 62.04 H new ATOM 0 HE21 GLN A 32 10.110 -47.443 11.336 1.00 65.12 H new ATOM 0 HE22 GLN A 32 11.729 -46.906 11.794 1.00 65.12 H new ATOM 534 N GLY A 33 8.070 -42.973 7.306 1.00 32.44 N ATOM 535 CA GLY A 33 7.804 -42.930 5.864 1.00 54.12 C ATOM 536 C GLY A 33 6.875 -41.803 5.419 1.00 51.43 C ATOM 537 O GLY A 33 5.810 -42.050 4.844 1.00 1.10 O ATOM 0 H GLY A 33 7.389 -42.484 7.887 1.00 32.44 H new ATOM 0 HA2 GLY A 33 8.753 -42.830 5.336 1.00 54.12 H new ATOM 0 HA3 GLY A 33 7.369 -43.882 5.560 1.00 54.12 H new ATOM 541 N ALA A 34 7.294 -40.569 5.658 1.00 21.10 N ATOM 542 CA ALA A 34 6.535 -39.379 5.247 1.00 61.44 C ATOM 543 C ALA A 34 7.354 -38.110 5.499 1.00 62.13 C ATOM 544 O ALA A 34 7.245 -37.115 4.774 1.00 63.22 O ATOM 545 CB ALA A 34 5.200 -39.306 5.987 1.00 13.33 C ATOM 0 H ALA A 34 8.167 -40.356 6.141 1.00 21.10 H new ATOM 0 HA ALA A 34 6.331 -39.456 4.179 1.00 61.44 H new ATOM 0 HB1 ALA A 34 4.655 -38.418 5.667 1.00 13.33 H new ATOM 0 HB2 ALA A 34 4.610 -40.194 5.762 1.00 13.33 H new ATOM 0 HB3 ALA A 34 5.381 -39.254 7.061 1.00 13.33 H new ATOM 551 N TRP A 35 8.172 -38.151 6.545 1.00 62.42 N ATOM 552 CA TRP A 35 9.051 -37.027 6.889 1.00 43.34 C ATOM 553 C TRP A 35 10.223 -36.898 5.894 1.00 22.44 C ATOM 554 O TRP A 35 10.912 -37.871 5.589 1.00 35.32 O ATOM 555 CB TRP A 35 9.572 -37.183 8.328 1.00 1.23 C ATOM 556 CG TRP A 35 8.701 -36.550 9.389 1.00 20.34 C ATOM 557 CD1 TRP A 35 9.135 -36.063 10.587 1.00 63.31 C ATOM 558 CD2 TRP A 35 7.274 -36.319 9.361 1.00 24.24 C ATOM 559 NE1 TRP A 35 8.083 -35.564 11.310 1.00 70.05 N ATOM 560 CE2 TRP A 35 6.933 -35.704 10.583 1.00 64.14 C ATOM 561 CE3 TRP A 35 6.252 -36.570 8.435 1.00 72.24 C ATOM 562 CZ2 TRP A 35 5.628 -35.340 10.899 1.00 21.44 C ATOM 563 CZ3 TRP A 35 4.955 -36.205 8.753 1.00 14.22 C ATOM 564 CH2 TRP A 35 4.654 -35.596 9.975 1.00 24.31 C ATOM 0 H TRP A 35 8.248 -38.950 7.174 1.00 62.42 H new ATOM 0 HA TRP A 35 8.466 -36.110 6.823 1.00 43.34 H new ATOM 0 HB2 TRP A 35 9.676 -38.245 8.549 1.00 1.23 H new ATOM 0 HB3 TRP A 35 10.569 -36.746 8.388 1.00 1.23 H new ATOM 0 HD1 TRP A 35 10.163 -36.070 10.919 1.00 63.31 H new ATOM 0 HE1 TRP A 35 8.147 -35.154 12.242 1.00 70.05 H new ATOM 0 HE3 TRP A 35 6.473 -37.041 7.488 1.00 72.24 H new ATOM 0 HZ2 TRP A 35 5.392 -34.871 11.843 1.00 21.44 H new ATOM 0 HZ3 TRP A 35 4.162 -36.394 8.045 1.00 14.22 H new ATOM 0 HH2 TRP A 35 3.632 -35.323 10.193 1.00 24.31 H new ATOM 575 N ILE A 36 10.434 -35.677 5.399 1.00 22.33 N ATOM 576 CA ILE A 36 11.477 -35.388 4.401 1.00 23.55 C ATOM 577 C ILE A 36 12.304 -34.157 4.812 1.00 1.42 C ATOM 578 O ILE A 36 11.737 -33.129 5.202 1.00 52.12 O ATOM 579 CB ILE A 36 10.851 -35.125 3.004 1.00 12.33 C ATOM 580 CG1 ILE A 36 10.029 -36.342 2.542 1.00 62.31 C ATOM 581 CG2 ILE A 36 11.932 -34.782 1.976 1.00 33.12 C ATOM 582 CD1 ILE A 36 9.317 -36.138 1.219 1.00 22.23 C ATOM 0 H ILE A 36 9.890 -34.859 5.675 1.00 22.33 H new ATOM 0 HA ILE A 36 12.126 -36.262 4.349 1.00 23.55 H new ATOM 0 HB ILE A 36 10.182 -34.269 3.088 1.00 12.33 H new ATOM 0 HG12 ILE A 36 10.691 -37.204 2.458 1.00 62.31 H new ATOM 0 HG13 ILE A 36 9.291 -36.581 3.307 1.00 62.31 H new ATOM 0 HG21 ILE A 36 11.468 -34.602 1.006 1.00 33.12 H new ATOM 0 HG22 ILE A 36 12.466 -33.887 2.294 1.00 33.12 H new ATOM 0 HG23 ILE A 36 12.633 -35.613 1.894 1.00 33.12 H new ATOM 0 HD11 ILE A 36 8.760 -37.039 0.963 1.00 22.23 H new ATOM 0 HD12 ILE A 36 8.628 -35.297 1.302 1.00 22.23 H new ATOM 0 HD13 ILE A 36 10.050 -35.930 0.440 1.00 22.23 H new ATOM 594 N GLU A 37 13.632 -34.265 4.733 1.00 31.42 N ATOM 595 CA GLU A 37 14.523 -33.145 5.070 1.00 23.51 C ATOM 596 C GLU A 37 14.240 -31.915 4.187 1.00 61.05 C ATOM 597 O GLU A 37 13.925 -32.042 3.000 1.00 10.10 O ATOM 598 CB GLU A 37 16.005 -33.547 4.926 1.00 21.42 C ATOM 599 CG GLU A 37 16.431 -34.760 5.759 1.00 71.21 C ATOM 600 CD GLU A 37 16.119 -36.087 5.081 1.00 12.41 C ATOM 601 OE1 GLU A 37 16.941 -36.543 4.259 1.00 24.55 O ATOM 602 OE2 GLU A 37 15.053 -36.679 5.359 1.00 61.33 O ATOM 0 H GLU A 37 14.116 -35.113 4.440 1.00 31.42 H new ATOM 0 HA GLU A 37 14.324 -32.885 6.110 1.00 23.51 H new ATOM 0 HB2 GLU A 37 16.208 -33.757 3.876 1.00 21.42 H new ATOM 0 HB3 GLU A 37 16.626 -32.696 5.207 1.00 21.42 H new ATOM 0 HG2 GLU A 37 17.502 -34.701 5.955 1.00 71.21 H new ATOM 0 HG3 GLU A 37 15.928 -34.725 6.725 1.00 71.21 H new ATOM 609 N GLY A 38 14.333 -30.726 4.782 1.00 71.15 N ATOM 610 CA GLY A 38 14.094 -29.486 4.049 1.00 2.45 C ATOM 611 C GLY A 38 12.611 -29.171 3.861 1.00 54.43 C ATOM 612 O GLY A 38 12.167 -28.051 4.123 1.00 33.14 O ATOM 0 H GLY A 38 14.571 -30.597 5.765 1.00 71.15 H new ATOM 0 HA2 GLY A 38 14.569 -28.661 4.580 1.00 2.45 H new ATOM 0 HA3 GLY A 38 14.571 -29.552 3.071 1.00 2.45 H new ATOM 616 N VAL A 39 11.846 -30.161 3.406 1.00 22.44 N ATOM 617 CA VAL A 39 10.413 -29.983 3.141 1.00 45.04 C ATOM 618 C VAL A 39 9.575 -30.042 4.432 1.00 25.41 C ATOM 619 O VAL A 39 8.885 -29.088 4.781 1.00 12.13 O ATOM 620 CB VAL A 39 9.890 -31.059 2.156 1.00 3.43 C ATOM 621 CG1 VAL A 39 8.420 -30.815 1.807 1.00 54.41 C ATOM 622 CG2 VAL A 39 10.753 -31.109 0.895 1.00 32.51 C ATOM 0 H VAL A 39 12.193 -31.100 3.211 1.00 22.44 H new ATOM 0 HA VAL A 39 10.303 -28.994 2.697 1.00 45.04 H new ATOM 0 HB VAL A 39 9.959 -32.029 2.649 1.00 3.43 H new ATOM 0 HG11 VAL A 39 8.078 -31.584 1.114 1.00 54.41 H new ATOM 0 HG12 VAL A 39 7.819 -30.852 2.716 1.00 54.41 H new ATOM 0 HG13 VAL A 39 8.314 -29.835 1.342 1.00 54.41 H new ATOM 0 HG21 VAL A 39 10.366 -31.872 0.219 1.00 32.51 H new ATOM 0 HG22 VAL A 39 10.729 -30.139 0.399 1.00 32.51 H new ATOM 0 HG23 VAL A 39 11.780 -31.352 1.167 1.00 32.51 H new ATOM 632 N HIS A 40 9.630 -31.179 5.133 1.00 52.22 N ATOM 633 CA HIS A 40 8.805 -31.381 6.337 1.00 4.14 C ATOM 634 C HIS A 40 9.584 -31.092 7.634 1.00 73.34 C ATOM 635 O HIS A 40 9.005 -30.630 8.619 1.00 53.04 O ATOM 636 CB HIS A 40 8.225 -32.807 6.361 1.00 30.53 C ATOM 637 CG HIS A 40 7.257 -33.083 5.239 1.00 5.41 C ATOM 638 ND1 HIS A 40 7.106 -34.321 4.641 1.00 53.21 N ATOM 639 CD2 HIS A 40 6.374 -32.264 4.612 1.00 21.35 C ATOM 640 CE1 HIS A 40 6.182 -34.244 3.701 1.00 24.01 C ATOM 641 NE2 HIS A 40 5.724 -33.011 3.664 1.00 34.42 N ATOM 0 H HIS A 40 10.230 -31.969 4.894 1.00 52.22 H new ATOM 0 HA HIS A 40 7.985 -30.665 6.289 1.00 4.14 H new ATOM 0 HB2 HIS A 40 9.044 -33.524 6.308 1.00 30.53 H new ATOM 0 HB3 HIS A 40 7.720 -32.969 7.313 1.00 30.53 H new ATOM 0 HD1 HIS A 40 7.627 -35.162 4.888 1.00 53.21 H new ATOM 0 HD2 HIS A 40 6.213 -31.217 4.822 1.00 21.35 H new ATOM 0 HE1 HIS A 40 5.857 -35.057 3.069 1.00 24.01 H new ATOM 650 N PHE A 41 10.889 -31.354 7.636 1.00 60.31 N ATOM 651 CA PHE A 41 11.725 -31.089 8.819 1.00 73.21 C ATOM 652 C PHE A 41 13.187 -30.830 8.429 1.00 4.24 C ATOM 653 O PHE A 41 13.582 -31.059 7.288 1.00 15.13 O ATOM 654 CB PHE A 41 11.660 -32.272 9.798 1.00 3.31 C ATOM 655 CG PHE A 41 12.462 -33.483 9.365 1.00 22.45 C ATOM 656 CD1 PHE A 41 11.957 -34.377 8.432 1.00 3.31 C ATOM 657 CD2 PHE A 41 13.724 -33.725 9.897 1.00 24.24 C ATOM 658 CE1 PHE A 41 12.694 -35.478 8.037 1.00 33.14 C ATOM 659 CE2 PHE A 41 14.460 -34.826 9.504 1.00 2.42 C ATOM 660 CZ PHE A 41 13.943 -35.704 8.575 1.00 52.23 C ATOM 0 H PHE A 41 11.394 -31.747 6.841 1.00 60.31 H new ATOM 0 HA PHE A 41 11.332 -30.194 9.301 1.00 73.21 H new ATOM 0 HB2 PHE A 41 12.019 -31.942 10.773 1.00 3.31 H new ATOM 0 HB3 PHE A 41 10.618 -32.567 9.925 1.00 3.31 H new ATOM 0 HD1 PHE A 41 10.977 -34.211 8.009 1.00 3.31 H new ATOM 0 HD2 PHE A 41 14.134 -33.043 10.627 1.00 24.24 H new ATOM 0 HE1 PHE A 41 12.290 -36.162 7.305 1.00 33.14 H new ATOM 0 HE2 PHE A 41 15.440 -34.999 9.924 1.00 2.42 H new ATOM 0 HZ PHE A 41 14.516 -36.567 8.269 1.00 52.23 H new ATOM 670 N LYS A 42 13.989 -30.371 9.386 1.00 41.03 N ATOM 671 CA LYS A 42 15.430 -30.192 9.167 1.00 2.22 C ATOM 672 C LYS A 42 16.194 -30.224 10.500 1.00 10.10 C ATOM 673 O LYS A 42 15.642 -29.890 11.553 1.00 44.43 O ATOM 674 CB LYS A 42 15.703 -28.885 8.389 1.00 73.33 C ATOM 675 CG LYS A 42 15.272 -27.593 9.099 1.00 23.20 C ATOM 676 CD LYS A 42 16.352 -27.038 10.032 1.00 20.33 C ATOM 677 CE LYS A 42 17.626 -26.668 9.277 1.00 42.42 C ATOM 678 NZ LYS A 42 18.684 -26.161 10.188 1.00 62.32 N ATOM 0 H LYS A 42 13.671 -30.115 10.321 1.00 41.03 H new ATOM 0 HA LYS A 42 15.793 -31.022 8.561 1.00 2.22 H new ATOM 0 HB2 LYS A 42 16.771 -28.824 8.177 1.00 73.33 H new ATOM 0 HB3 LYS A 42 15.190 -28.940 7.429 1.00 73.33 H new ATOM 0 HG2 LYS A 42 15.022 -26.840 8.352 1.00 23.20 H new ATOM 0 HG3 LYS A 42 14.366 -27.785 9.674 1.00 23.20 H new ATOM 0 HD2 LYS A 42 15.968 -26.158 10.548 1.00 20.33 H new ATOM 0 HD3 LYS A 42 16.586 -27.779 10.797 1.00 20.33 H new ATOM 0 HE2 LYS A 42 17.997 -27.542 8.741 1.00 42.42 H new ATOM 0 HE3 LYS A 42 17.397 -25.909 8.529 1.00 42.42 H new ATOM 0 HZ1 LYS A 42 19.487 -25.811 9.627 1.00 62.32 H new ATOM 0 HZ2 LYS A 42 18.302 -25.386 10.767 1.00 62.32 H new ATOM 0 HZ3 LYS A 42 19.006 -26.931 10.809 1.00 62.32 H new ATOM 692 N ARG A 43 17.459 -30.633 10.455 1.00 12.21 N ATOM 693 CA ARG A 43 18.280 -30.730 11.669 1.00 40.11 C ATOM 694 C ARG A 43 18.802 -29.354 12.117 1.00 63.10 C ATOM 695 O ARG A 43 19.334 -28.579 11.316 1.00 4.51 O ATOM 696 CB ARG A 43 19.449 -31.706 11.461 1.00 3.30 C ATOM 697 CG ARG A 43 20.315 -31.404 10.239 1.00 1.43 C ATOM 698 CD ARG A 43 21.410 -32.451 10.045 1.00 60.30 C ATOM 699 NE ARG A 43 20.873 -33.814 10.056 1.00 32.13 N ATOM 700 CZ ARG A 43 21.247 -34.772 9.248 1.00 30.15 C ATOM 701 NH1 ARG A 43 22.122 -34.560 8.319 1.00 63.30 N ATOM 702 NH2 ARG A 43 20.732 -35.951 9.375 1.00 62.22 N ATOM 0 H ARG A 43 17.941 -30.903 9.597 1.00 12.21 H new ATOM 0 HA ARG A 43 17.640 -31.115 12.463 1.00 40.11 H new ATOM 0 HB2 ARG A 43 20.080 -31.693 12.350 1.00 3.30 H new ATOM 0 HB3 ARG A 43 19.050 -32.716 11.368 1.00 3.30 H new ATOM 0 HG2 ARG A 43 19.687 -31.366 9.349 1.00 1.43 H new ATOM 0 HG3 ARG A 43 20.769 -30.420 10.350 1.00 1.43 H new ATOM 0 HD2 ARG A 43 21.921 -32.270 9.099 1.00 60.30 H new ATOM 0 HD3 ARG A 43 22.154 -32.348 10.835 1.00 60.30 H new ATOM 0 HE ARG A 43 20.154 -34.032 10.745 1.00 32.13 H new ATOM 0 HH11 ARG A 43 22.533 -33.633 8.207 1.00 63.30 H new ATOM 0 HH12 ARG A 43 22.401 -35.320 7.698 1.00 63.30 H new ATOM 0 HH21 ARG A 43 20.039 -36.129 10.102 1.00 62.22 H new ATOM 0 HH22 ARG A 43 21.019 -36.703 8.748 1.00 62.22 H new ATOM 716 N VAL A 44 18.629 -29.054 13.400 1.00 10.43 N ATOM 717 CA VAL A 44 19.072 -27.783 13.978 1.00 63.21 C ATOM 718 C VAL A 44 20.189 -28.014 15.010 1.00 44.12 C ATOM 719 O VAL A 44 20.362 -29.131 15.513 1.00 75.11 O ATOM 720 CB VAL A 44 17.880 -27.041 14.644 1.00 31.12 C ATOM 721 CG1 VAL A 44 18.287 -25.656 15.149 1.00 72.21 C ATOM 722 CG2 VAL A 44 16.707 -26.940 13.670 1.00 74.45 C ATOM 0 H VAL A 44 18.180 -29.680 14.069 1.00 10.43 H new ATOM 0 HA VAL A 44 19.465 -27.164 13.171 1.00 63.21 H new ATOM 0 HB VAL A 44 17.567 -27.623 15.511 1.00 31.12 H new ATOM 0 HG11 VAL A 44 17.427 -25.169 15.608 1.00 72.21 H new ATOM 0 HG12 VAL A 44 19.083 -25.757 15.887 1.00 72.21 H new ATOM 0 HG13 VAL A 44 18.642 -25.054 14.313 1.00 72.21 H new ATOM 0 HG21 VAL A 44 15.879 -26.418 14.150 1.00 74.45 H new ATOM 0 HG22 VAL A 44 17.018 -26.389 12.782 1.00 74.45 H new ATOM 0 HG23 VAL A 44 16.386 -27.941 13.382 1.00 74.45 H new ATOM 876 N THR A 55 19.365 -31.750 17.073 1.00 63.11 N ATOM 877 CA THR A 55 18.037 -31.331 17.546 1.00 50.13 C ATOM 878 C THR A 55 17.100 -31.087 16.356 1.00 21.31 C ATOM 879 O THR A 55 17.316 -30.174 15.562 1.00 64.42 O ATOM 880 CB THR A 55 18.114 -30.051 18.419 1.00 60.34 C ATOM 881 OG1 THR A 55 18.954 -30.284 19.567 1.00 43.13 O ATOM 882 CG2 THR A 55 16.725 -29.616 18.889 1.00 20.14 C ATOM 0 HA THR A 55 17.642 -32.138 18.163 1.00 50.13 H new ATOM 0 HB THR A 55 18.539 -29.256 17.806 1.00 60.34 H new ATOM 0 HG1 THR A 55 19.650 -30.934 19.337 1.00 43.13 H new ATOM 0 HG21 THR A 55 16.812 -28.717 19.498 1.00 20.14 H new ATOM 0 HG22 THR A 55 16.096 -29.408 18.023 1.00 20.14 H new ATOM 0 HG23 THR A 55 16.275 -30.413 19.481 1.00 20.14 H new ATOM 890 N THR A 56 16.057 -31.904 16.242 1.00 34.14 N ATOM 891 CA THR A 56 15.160 -31.863 15.076 1.00 25.50 C ATOM 892 C THR A 56 13.929 -30.978 15.319 1.00 32.33 C ATOM 893 O THR A 56 13.199 -31.164 16.292 1.00 62.20 O ATOM 894 CB THR A 56 14.668 -33.282 14.694 1.00 4.24 C ATOM 895 OG1 THR A 56 15.786 -34.166 14.520 1.00 61.54 O ATOM 896 CG2 THR A 56 13.841 -33.255 13.410 1.00 72.30 C ATOM 0 H THR A 56 15.806 -32.605 16.939 1.00 34.14 H new ATOM 0 HA THR A 56 15.749 -31.439 14.263 1.00 25.50 H new ATOM 0 HB THR A 56 14.038 -33.643 15.507 1.00 4.24 H new ATOM 0 HG1 THR A 56 15.462 -35.060 14.281 1.00 61.54 H new ATOM 0 HG21 THR A 56 13.511 -34.265 13.169 1.00 72.30 H new ATOM 0 HG22 THR A 56 12.972 -32.613 13.551 1.00 72.30 H new ATOM 0 HG23 THR A 56 14.450 -32.868 12.593 1.00 72.30 H new ATOM 904 N TRP A 57 13.704 -30.022 14.419 1.00 52.15 N ATOM 905 CA TRP A 57 12.501 -29.178 14.448 1.00 1.21 C ATOM 906 C TRP A 57 11.626 -29.439 13.209 1.00 30.11 C ATOM 907 O TRP A 57 12.135 -29.598 12.097 1.00 4.22 O ATOM 908 CB TRP A 57 12.886 -27.691 14.528 1.00 50.22 C ATOM 909 CG TRP A 57 13.466 -27.291 15.856 1.00 31.54 C ATOM 910 CD1 TRP A 57 14.696 -27.620 16.350 1.00 1.34 C ATOM 911 CD2 TRP A 57 12.836 -26.483 16.861 1.00 74.20 C ATOM 912 NE1 TRP A 57 14.869 -27.070 17.596 1.00 20.34 N ATOM 913 CE2 TRP A 57 13.743 -26.366 17.932 1.00 40.43 C ATOM 914 CE3 TRP A 57 11.597 -25.847 16.957 1.00 63.31 C ATOM 915 CZ2 TRP A 57 13.446 -25.641 19.085 1.00 54.30 C ATOM 916 CZ3 TRP A 57 11.302 -25.125 18.101 1.00 13.14 C ATOM 917 CH2 TRP A 57 12.224 -25.027 19.151 1.00 62.12 C ATOM 0 H TRP A 57 14.343 -29.808 13.653 1.00 52.15 H new ATOM 0 HA TRP A 57 11.925 -29.435 15.337 1.00 1.21 H new ATOM 0 HB2 TRP A 57 13.609 -27.469 13.743 1.00 50.22 H new ATOM 0 HB3 TRP A 57 12.003 -27.084 14.329 1.00 50.22 H new ATOM 0 HD1 TRP A 57 15.427 -28.225 15.835 1.00 1.34 H new ATOM 0 HE1 TRP A 57 15.701 -27.169 18.177 1.00 20.34 H new ATOM 0 HE3 TRP A 57 10.880 -25.917 16.152 1.00 63.31 H new ATOM 0 HZ2 TRP A 57 14.154 -25.566 19.897 1.00 54.30 H new ATOM 0 HZ3 TRP A 57 10.346 -24.630 18.185 1.00 13.14 H new ATOM 0 HH2 TRP A 57 11.966 -24.456 20.030 1.00 62.12 H new ATOM 928 N TYR A 58 10.308 -29.489 13.411 1.00 20.41 N ATOM 929 CA TYR A 58 9.363 -29.831 12.338 1.00 72.12 C ATOM 930 C TYR A 58 8.557 -28.608 11.868 1.00 20.21 C ATOM 931 O TYR A 58 8.267 -27.698 12.652 1.00 1.24 O ATOM 932 CB TYR A 58 8.400 -30.925 12.827 1.00 50.14 C ATOM 933 CG TYR A 58 9.105 -32.140 13.402 1.00 2.03 C ATOM 934 CD1 TYR A 58 9.774 -33.030 12.574 1.00 1.00 C ATOM 935 CD2 TYR A 58 9.119 -32.386 14.774 1.00 33.24 C ATOM 936 CE1 TYR A 58 10.433 -34.129 13.088 1.00 44.11 C ATOM 937 CE2 TYR A 58 9.782 -33.483 15.295 1.00 24.32 C ATOM 938 CZ TYR A 58 10.437 -34.350 14.446 1.00 52.43 C ATOM 939 OH TYR A 58 11.101 -35.443 14.955 1.00 23.24 O ATOM 0 H TYR A 58 9.866 -29.297 14.310 1.00 20.41 H new ATOM 0 HA TYR A 58 9.943 -30.192 11.489 1.00 72.12 H new ATOM 0 HB2 TYR A 58 7.741 -30.504 13.586 1.00 50.14 H new ATOM 0 HB3 TYR A 58 7.769 -31.240 11.996 1.00 50.14 H new ATOM 0 HD1 TYR A 58 9.779 -32.860 11.507 1.00 1.00 H new ATOM 0 HD2 TYR A 58 8.604 -31.710 15.441 1.00 33.24 H new ATOM 0 HE1 TYR A 58 10.944 -34.813 12.426 1.00 44.11 H new ATOM 0 HE2 TYR A 58 9.786 -33.659 16.361 1.00 24.32 H new ATOM 0 HH TYR A 58 11.010 -35.456 15.931 1.00 23.24 H new ATOM 949 N ASN A 59 8.195 -28.596 10.584 1.00 12.03 N ATOM 950 CA ASN A 59 7.365 -27.525 10.019 1.00 14.34 C ATOM 951 C ASN A 59 5.871 -27.805 10.239 1.00 64.12 C ATOM 952 O ASN A 59 5.260 -28.600 9.518 1.00 5.23 O ATOM 953 CB ASN A 59 7.644 -27.354 8.518 1.00 34.25 C ATOM 954 CG ASN A 59 9.036 -26.815 8.236 1.00 60.04 C ATOM 955 OD1 ASN A 59 9.251 -25.608 8.195 1.00 2.31 O ATOM 956 ND2 ASN A 59 9.987 -27.700 8.026 1.00 5.41 N ATOM 0 H ASN A 59 8.463 -29.316 9.913 1.00 12.03 H new ATOM 0 HA ASN A 59 7.625 -26.602 10.537 1.00 14.34 H new ATOM 0 HB2 ASN A 59 7.524 -28.315 8.019 1.00 34.25 H new ATOM 0 HB3 ASN A 59 6.904 -26.678 8.090 1.00 34.25 H new ATOM 0 HD21 ASN A 59 10.937 -27.389 7.822 1.00 5.41 H new ATOM 0 HD22 ASN A 59 9.774 -28.697 8.067 1.00 5.41 H new ATOM 963 N TYR A 60 5.286 -27.140 11.234 1.00 20.41 N ATOM 964 CA TYR A 60 3.858 -27.292 11.543 1.00 34.01 C ATOM 965 C TYR A 60 2.952 -27.050 10.314 1.00 54.14 C ATOM 966 O TYR A 60 2.024 -27.820 10.084 1.00 4.53 O ATOM 967 CB TYR A 60 3.454 -26.361 12.692 1.00 51.33 C ATOM 968 CG TYR A 60 1.972 -26.406 13.029 1.00 54.44 C ATOM 969 CD1 TYR A 60 1.418 -27.504 13.684 1.00 53.33 C ATOM 970 CD2 TYR A 60 1.129 -25.348 12.698 1.00 22.23 C ATOM 971 CE1 TYR A 60 0.071 -27.545 13.993 1.00 43.40 C ATOM 972 CE2 TYR A 60 -0.219 -25.386 13.005 1.00 52.21 C ATOM 973 CZ TYR A 60 -0.743 -26.485 13.655 1.00 73.03 C ATOM 974 OH TYR A 60 -2.084 -26.525 13.969 1.00 13.11 O ATOM 0 H TYR A 60 5.778 -26.487 11.844 1.00 20.41 H new ATOM 0 HA TYR A 60 3.712 -28.328 11.849 1.00 34.01 H new ATOM 0 HB2 TYR A 60 4.027 -26.627 13.580 1.00 51.33 H new ATOM 0 HB3 TYR A 60 3.726 -25.338 12.431 1.00 51.33 H new ATOM 0 HD1 TYR A 60 2.051 -28.336 13.955 1.00 53.33 H new ATOM 0 HD2 TYR A 60 1.535 -24.484 12.193 1.00 22.23 H new ATOM 0 HE1 TYR A 60 -0.343 -28.405 14.498 1.00 43.40 H new ATOM 0 HE2 TYR A 60 -0.859 -24.559 12.737 1.00 52.21 H new ATOM 0 HH TYR A 60 -2.216 -27.072 14.771 1.00 13.11 H new ATOM 984 N PRO A 61 3.186 -25.981 9.506 1.00 60.42 N ATOM 985 CA PRO A 61 2.395 -25.736 8.282 1.00 13.24 C ATOM 986 C PRO A 61 2.368 -26.951 7.335 1.00 44.42 C ATOM 987 O PRO A 61 1.306 -27.358 6.863 1.00 11.01 O ATOM 988 CB PRO A 61 3.106 -24.537 7.619 1.00 45.44 C ATOM 989 CG PRO A 61 4.426 -24.426 8.313 1.00 12.54 C ATOM 990 CD PRO A 61 4.198 -24.930 9.707 1.00 75.53 C ATOM 0 HA PRO A 61 1.347 -25.546 8.513 1.00 13.24 H new ATOM 0 HB2 PRO A 61 3.237 -24.700 6.549 1.00 45.44 H new ATOM 0 HB3 PRO A 61 2.524 -23.623 7.733 1.00 45.44 H new ATOM 0 HG2 PRO A 61 5.187 -25.017 7.803 1.00 12.54 H new ATOM 0 HG3 PRO A 61 4.777 -23.394 8.323 1.00 12.54 H new ATOM 0 HD2 PRO A 61 5.112 -25.326 10.149 1.00 75.53 H new ATOM 0 HD3 PRO A 61 3.839 -24.142 10.369 1.00 75.53 H new ATOM 998 N GLU A 62 3.536 -27.538 7.077 1.00 72.15 N ATOM 999 CA GLU A 62 3.634 -28.713 6.199 1.00 24.21 C ATOM 1000 C GLU A 62 2.966 -29.954 6.811 1.00 2.34 C ATOM 1001 O GLU A 62 2.336 -30.740 6.103 1.00 51.33 O ATOM 1002 CB GLU A 62 5.102 -29.020 5.868 1.00 23.32 C ATOM 1003 CG GLU A 62 5.613 -28.321 4.611 1.00 62.33 C ATOM 1004 CD GLU A 62 4.857 -28.750 3.358 1.00 11.34 C ATOM 1005 OE1 GLU A 62 5.066 -29.888 2.883 1.00 74.11 O ATOM 1006 OE2 GLU A 62 4.036 -27.958 2.849 1.00 44.32 O ATOM 0 H GLU A 62 4.428 -27.224 7.460 1.00 72.15 H new ATOM 0 HA GLU A 62 3.099 -28.468 5.281 1.00 24.21 H new ATOM 0 HB2 GLU A 62 5.724 -28.726 6.713 1.00 23.32 H new ATOM 0 HB3 GLU A 62 5.219 -30.097 5.746 1.00 23.32 H new ATOM 0 HG2 GLU A 62 5.521 -27.242 4.736 1.00 62.33 H new ATOM 0 HG3 GLU A 62 6.674 -28.538 4.484 1.00 62.33 H new ATOM 1013 N ILE A 63 3.113 -30.138 8.119 1.00 12.32 N ATOM 1014 CA ILE A 63 2.482 -31.270 8.803 1.00 4.33 C ATOM 1015 C ILE A 63 0.951 -31.117 8.819 1.00 55.34 C ATOM 1016 O ILE A 63 0.218 -32.071 8.558 1.00 41.33 O ATOM 1017 CB ILE A 63 3.023 -31.430 10.245 1.00 52.01 C ATOM 1018 CG1 ILE A 63 4.537 -31.704 10.203 1.00 5.42 C ATOM 1019 CG2 ILE A 63 2.284 -32.549 10.986 1.00 24.04 C ATOM 1020 CD1 ILE A 63 5.172 -31.877 11.566 1.00 2.42 C ATOM 0 H ILE A 63 3.658 -29.526 8.726 1.00 12.32 H new ATOM 0 HA ILE A 63 2.734 -32.172 8.246 1.00 4.33 H new ATOM 0 HB ILE A 63 2.848 -30.503 10.792 1.00 52.01 H new ATOM 0 HG12 ILE A 63 4.716 -32.603 9.614 1.00 5.42 H new ATOM 0 HG13 ILE A 63 5.030 -30.881 9.686 1.00 5.42 H new ATOM 0 HG21 ILE A 63 2.683 -32.641 11.996 1.00 24.04 H new ATOM 0 HG22 ILE A 63 1.221 -32.313 11.035 1.00 24.04 H new ATOM 0 HG23 ILE A 63 2.422 -33.490 10.454 1.00 24.04 H new ATOM 0 HD11 ILE A 63 6.239 -32.066 11.449 1.00 2.42 H new ATOM 0 HD12 ILE A 63 5.027 -30.970 12.153 1.00 2.42 H new ATOM 0 HD13 ILE A 63 4.708 -32.719 12.079 1.00 2.42 H new ATOM 1032 N ASN A 64 0.480 -29.905 9.110 1.00 31.01 N ATOM 1033 CA ASN A 64 -0.950 -29.585 9.032 1.00 53.45 C ATOM 1034 C ASN A 64 -1.465 -29.796 7.601 1.00 30.20 C ATOM 1035 O ASN A 64 -2.552 -30.319 7.392 1.00 51.10 O ATOM 1036 CB ASN A 64 -1.196 -28.133 9.471 1.00 42.33 C ATOM 1037 CG ASN A 64 -2.673 -27.763 9.492 1.00 63.25 C ATOM 1038 OD1 ASN A 64 -3.535 -28.598 9.746 1.00 34.44 O ATOM 1039 ND2 ASN A 64 -2.979 -26.515 9.208 1.00 14.13 N ATOM 0 H ASN A 64 1.068 -29.125 9.403 1.00 31.01 H new ATOM 0 HA ASN A 64 -1.492 -30.252 9.703 1.00 53.45 H new ATOM 0 HB2 ASN A 64 -0.775 -27.983 10.465 1.00 42.33 H new ATOM 0 HB3 ASN A 64 -0.667 -27.460 8.796 1.00 42.33 H new ATOM 0 HD21 ASN A 64 -3.955 -26.220 9.195 1.00 14.13 H new ATOM 0 HD22 ASN A 64 -2.240 -25.843 9.001 1.00 14.13 H new ATOM 1046 N LYS A 65 -0.660 -29.382 6.627 1.00 34.33 N ATOM 1047 CA LYS A 65 -0.944 -29.609 5.203 1.00 2.02 C ATOM 1048 C LYS A 65 -1.065 -31.115 4.888 1.00 32.11 C ATOM 1049 O LYS A 65 -1.984 -31.545 4.188 1.00 44.32 O ATOM 1050 CB LYS A 65 0.168 -28.925 4.372 1.00 33.12 C ATOM 1051 CG LYS A 65 0.334 -29.395 2.921 1.00 4.32 C ATOM 1052 CD LYS A 65 1.286 -30.595 2.813 1.00 23.42 C ATOM 1053 CE LYS A 65 1.872 -30.742 1.413 1.00 55.42 C ATOM 1054 NZ LYS A 65 2.769 -29.607 1.069 1.00 51.21 N ATOM 0 H LYS A 65 0.210 -28.878 6.797 1.00 34.33 H new ATOM 0 HA LYS A 65 -1.907 -29.171 4.940 1.00 2.02 H new ATOM 0 HB2 LYS A 65 -0.026 -27.853 4.362 1.00 33.12 H new ATOM 0 HB3 LYS A 65 1.117 -29.072 4.888 1.00 33.12 H new ATOM 0 HG2 LYS A 65 -0.640 -29.666 2.514 1.00 4.32 H new ATOM 0 HG3 LYS A 65 0.715 -28.573 2.315 1.00 4.32 H new ATOM 0 HD2 LYS A 65 2.096 -30.480 3.534 1.00 23.42 H new ATOM 0 HD3 LYS A 65 0.750 -31.506 3.078 1.00 23.42 H new ATOM 0 HE2 LYS A 65 2.428 -31.677 1.348 1.00 55.42 H new ATOM 0 HE3 LYS A 65 1.063 -30.800 0.684 1.00 55.42 H new ATOM 0 HZ1 LYS A 65 2.350 -29.056 0.292 1.00 51.21 H new ATOM 0 HZ2 LYS A 65 2.890 -28.995 1.901 1.00 51.21 H new ATOM 0 HZ3 LYS A 65 3.696 -29.974 0.772 1.00 51.21 H new ATOM 1068 N PHE A 66 -0.141 -31.906 5.428 1.00 24.24 N ATOM 1069 CA PHE A 66 -0.143 -33.365 5.241 1.00 11.11 C ATOM 1070 C PHE A 66 -1.399 -34.009 5.855 1.00 64.03 C ATOM 1071 O PHE A 66 -2.060 -34.842 5.231 1.00 71.42 O ATOM 1072 CB PHE A 66 1.123 -33.969 5.867 1.00 3.25 C ATOM 1073 CG PHE A 66 1.221 -35.474 5.756 1.00 74.14 C ATOM 1074 CD1 PHE A 66 1.607 -36.073 4.562 1.00 12.03 C ATOM 1075 CD2 PHE A 66 0.936 -36.287 6.845 1.00 54.34 C ATOM 1076 CE1 PHE A 66 1.703 -37.449 4.458 1.00 23.34 C ATOM 1077 CE2 PHE A 66 1.032 -37.662 6.746 1.00 42.05 C ATOM 1078 CZ PHE A 66 1.417 -38.244 5.551 1.00 31.31 C ATOM 0 H PHE A 66 0.627 -31.563 6.004 1.00 24.24 H new ATOM 0 HA PHE A 66 -0.154 -33.572 4.171 1.00 11.11 H new ATOM 0 HB2 PHE A 66 1.996 -33.525 5.390 1.00 3.25 H new ATOM 0 HB3 PHE A 66 1.160 -33.692 6.921 1.00 3.25 H new ATOM 0 HD1 PHE A 66 1.835 -35.456 3.705 1.00 12.03 H new ATOM 0 HD2 PHE A 66 0.636 -35.839 7.781 1.00 54.34 H new ATOM 0 HE1 PHE A 66 2.001 -37.901 3.524 1.00 23.34 H new ATOM 0 HE2 PHE A 66 0.807 -38.282 7.601 1.00 42.05 H new ATOM 0 HZ PHE A 66 1.494 -39.318 5.473 1.00 31.31 H new ATOM 1088 N ILE A 67 -1.719 -33.618 7.084 1.00 73.21 N ATOM 1089 CA ILE A 67 -2.896 -34.140 7.788 1.00 50.52 C ATOM 1090 C ILE A 67 -4.204 -33.661 7.136 1.00 31.40 C ATOM 1091 O ILE A 67 -5.112 -34.452 6.882 1.00 31.32 O ATOM 1092 CB ILE A 67 -2.885 -33.707 9.277 1.00 5.54 C ATOM 1093 CG1 ILE A 67 -1.589 -34.180 9.960 1.00 3.12 C ATOM 1094 CG2 ILE A 67 -4.117 -34.247 10.012 1.00 42.54 C ATOM 1095 CD1 ILE A 67 -1.408 -33.643 11.365 1.00 64.24 C ATOM 0 H ILE A 67 -1.180 -32.938 7.620 1.00 73.21 H new ATOM 0 HA ILE A 67 -2.849 -35.227 7.723 1.00 50.52 H new ATOM 0 HB ILE A 67 -2.921 -32.618 9.320 1.00 5.54 H new ATOM 0 HG12 ILE A 67 -1.584 -35.269 9.994 1.00 3.12 H new ATOM 0 HG13 ILE A 67 -0.737 -33.876 9.352 1.00 3.12 H new ATOM 0 HG21 ILE A 67 -4.087 -33.930 11.054 1.00 42.54 H new ATOM 0 HG22 ILE A 67 -5.020 -33.860 9.541 1.00 42.54 H new ATOM 0 HG23 ILE A 67 -4.121 -35.336 9.964 1.00 42.54 H new ATOM 0 HD11 ILE A 67 -0.473 -34.019 11.781 1.00 64.24 H new ATOM 0 HD12 ILE A 67 -1.380 -32.554 11.337 1.00 64.24 H new ATOM 0 HD13 ILE A 67 -2.240 -33.969 11.989 1.00 64.24 H new