USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 823 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: B 22 TYR OH : rot -130:sc= -2.25! USER MOD Set 1.2: B 52 GLN : amide:sc= -4.51! C(o=-6.8!,f=-6.1!) USER MOD Set 2.1: A 22 TYR OH : rot -63:sc= -2.17! USER MOD Set 2.2: A 52 GLN : amide:sc= -4.63! C(o=-6.8!,f=-6.5!) USER MOD Set 3.1: A 13 CYS SG : rot -82:sc= -3.85! USER MOD Set 3.2: A 27 MET CE :methyl -146:sc= -0.407 (180deg=-1.69!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -3.33! C(o=-3.3!,f=-3.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -162:sc= -0.0124 (180deg=-0.471) USER MOD Single : A 30 MET CE :methyl -151:sc= -0.058 (180deg=-2.62) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00332) USER MOD Single : A 40 ASN : amide:sc= -3.83! K(o=-3.8!,f=-0.5) USER MOD Single : A 45 SER OG : rot -60:sc= 1.02 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.89! K(o=-3.9!,f=-1.6) USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 13 CYS SG : rot -58:sc= -3.56 USER MOD Single : B 14 GLN : amide:sc= -5.28! C(o=-5.3!,f=-16!) USER MOD Single : B 15 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.416) USER MOD Single : B 19 LYS NZ :NH3+ -162:sc= -0.117 (180deg=-0.761) USER MOD Single : B 27 MET CE :methyl 144:sc= 0 (180deg=-0.0272) USER MOD Single : B 30 MET CE :methyl -160:sc= -0.961 (180deg=-2.23) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 159:sc= -0.0767 (180deg=-0.525) USER MOD Single : B 40 ASN : amide:sc= -6.38! K(o=-6.4!,f=-2.4) USER MOD Single : B 45 SER OG : rot 180:sc= 0 USER MOD Single : B 53 TYR OH : rot 180:sc= 0 USER MOD Single : B 56 ASN : amide:sc= -1.68! C(o=-1.7!,f=-4.2!) USER MOD ----------------------------------------------------------------- ATOM 106 N PHE A 9 45.109 20.229 19.892 1.00 0.27 N ATOM 107 CA PHE A 9 43.649 20.313 19.616 1.00 0.25 C ATOM 108 C PHE A 9 43.325 21.714 19.100 1.00 0.25 C ATOM 109 O PHE A 9 42.561 21.883 18.170 1.00 0.36 O ATOM 110 CB PHE A 9 42.880 20.044 20.909 1.00 0.23 C ATOM 111 CG PHE A 9 41.406 19.991 20.612 1.00 0.19 C ATOM 112 CD1 PHE A 9 40.684 21.179 20.473 1.00 0.20 C ATOM 113 CD2 PHE A 9 40.761 18.756 20.476 1.00 0.19 C ATOM 114 CE1 PHE A 9 39.316 21.135 20.197 1.00 0.21 C ATOM 115 CE2 PHE A 9 39.391 18.713 20.200 1.00 0.19 C ATOM 116 CZ PHE A 9 38.670 19.904 20.061 1.00 0.20 C ATOM 0 HA PHE A 9 43.362 19.574 18.867 1.00 0.25 H new ATOM 0 HB2 PHE A 9 43.207 19.103 21.351 1.00 0.23 H new ATOM 0 HB3 PHE A 9 43.087 20.827 21.638 1.00 0.23 H new ATOM 0 HD1 PHE A 9 41.184 22.131 20.579 1.00 0.20 H new ATOM 0 HD2 PHE A 9 41.320 17.838 20.584 1.00 0.19 H new ATOM 0 HE1 PHE A 9 38.757 22.053 20.089 1.00 0.21 H new ATOM 0 HE2 PHE A 9 38.890 17.762 20.094 1.00 0.19 H new ATOM 0 HZ PHE A 9 37.612 19.871 19.848 1.00 0.20 H new ATOM 126 N LEU A 10 43.915 22.719 19.685 1.00 0.21 N ATOM 127 CA LEU A 10 43.657 24.105 19.214 1.00 0.21 C ATOM 128 C LEU A 10 44.318 24.283 17.847 1.00 0.22 C ATOM 129 O LEU A 10 43.831 25.002 16.998 1.00 0.27 O ATOM 130 CB LEU A 10 44.252 25.108 20.204 1.00 0.24 C ATOM 131 CG LEU A 10 43.539 24.998 21.561 1.00 0.27 C ATOM 132 CD1 LEU A 10 44.325 25.795 22.608 1.00 0.31 C ATOM 133 CD2 LEU A 10 42.105 25.551 21.462 1.00 0.28 C ATOM 0 H LEU A 10 44.564 22.639 20.468 1.00 0.21 H new ATOM 0 HA LEU A 10 42.583 24.278 19.139 1.00 0.21 H new ATOM 0 HB2 LEU A 10 45.318 24.919 20.328 1.00 0.24 H new ATOM 0 HB3 LEU A 10 44.151 26.120 19.813 1.00 0.24 H new ATOM 0 HG LEU A 10 43.489 23.949 21.853 1.00 0.27 H new ATOM 0 HD11 LEU A 10 43.824 25.721 23.573 1.00 0.31 H new ATOM 0 HD12 LEU A 10 45.334 25.391 22.691 1.00 0.31 H new ATOM 0 HD13 LEU A 10 44.377 26.841 22.306 1.00 0.31 H new ATOM 0 HD21 LEU A 10 41.614 25.466 22.432 1.00 0.28 H new ATOM 0 HD22 LEU A 10 42.139 26.599 21.164 1.00 0.28 H new ATOM 0 HD23 LEU A 10 41.545 24.981 20.721 1.00 0.28 H new ATOM 145 N ASP A 11 45.422 23.621 17.624 1.00 0.21 N ATOM 146 CA ASP A 11 46.104 23.741 16.307 1.00 0.23 C ATOM 147 C ASP A 11 45.109 23.371 15.208 1.00 0.20 C ATOM 148 O ASP A 11 44.837 24.147 14.315 1.00 0.29 O ATOM 149 CB ASP A 11 47.304 22.791 16.254 1.00 0.27 C ATOM 150 CG ASP A 11 48.196 23.158 15.067 1.00 1.08 C ATOM 151 OD1 ASP A 11 47.912 22.696 13.974 1.00 1.92 O ATOM 152 OD2 ASP A 11 49.148 23.892 15.270 1.00 1.64 O ATOM 0 H ASP A 11 45.878 23.004 18.296 1.00 0.21 H new ATOM 0 HA ASP A 11 46.457 24.762 16.165 1.00 0.23 H new ATOM 0 HB2 ASP A 11 47.872 22.854 17.182 1.00 0.27 H new ATOM 0 HB3 ASP A 11 46.961 21.761 16.160 1.00 0.27 H new ATOM 157 N TYR A 12 44.554 22.190 15.273 1.00 0.14 N ATOM 158 CA TYR A 12 43.568 21.776 14.239 1.00 0.12 C ATOM 159 C TYR A 12 42.519 22.878 14.084 1.00 0.11 C ATOM 160 O TYR A 12 42.256 23.358 13.001 1.00 0.15 O ATOM 161 CB TYR A 12 42.883 20.470 14.675 1.00 0.12 C ATOM 162 CG TYR A 12 43.878 19.322 14.621 1.00 0.16 C ATOM 163 CD1 TYR A 12 44.484 18.967 13.409 1.00 0.22 C ATOM 164 CD2 TYR A 12 44.195 18.612 15.787 1.00 0.20 C ATOM 165 CE1 TYR A 12 45.402 17.910 13.364 1.00 0.28 C ATOM 166 CE2 TYR A 12 45.112 17.555 15.742 1.00 0.27 C ATOM 167 CZ TYR A 12 45.715 17.205 14.530 1.00 0.30 C ATOM 168 OH TYR A 12 46.619 16.163 14.485 1.00 0.37 O ATOM 0 H TYR A 12 44.742 21.497 15.997 1.00 0.14 H new ATOM 0 HA TYR A 12 44.076 21.614 13.288 1.00 0.12 H new ATOM 0 HB2 TYR A 12 42.490 20.575 15.686 1.00 0.12 H new ATOM 0 HB3 TYR A 12 42.035 20.259 14.024 1.00 0.12 H new ATOM 0 HD1 TYR A 12 44.243 19.510 12.507 1.00 0.22 H new ATOM 0 HD2 TYR A 12 43.730 18.881 16.724 1.00 0.20 H new ATOM 0 HE1 TYR A 12 45.868 17.640 12.428 1.00 0.28 H new ATOM 0 HE2 TYR A 12 45.353 17.010 16.643 1.00 0.27 H new ATOM 0 HH TYR A 12 46.723 15.782 15.382 1.00 0.37 H new ATOM 178 N CYS A 13 41.928 23.284 15.170 1.00 0.12 N ATOM 179 CA CYS A 13 40.900 24.361 15.113 1.00 0.15 C ATOM 180 C CYS A 13 41.443 25.537 14.299 1.00 0.16 C ATOM 181 O CYS A 13 40.772 26.073 13.440 1.00 0.19 O ATOM 182 CB CYS A 13 40.569 24.820 16.539 1.00 0.19 C ATOM 183 SG CYS A 13 39.698 26.407 16.491 1.00 1.38 S ATOM 0 H CYS A 13 42.113 22.914 16.102 1.00 0.12 H new ATOM 0 HA CYS A 13 39.995 23.984 14.637 1.00 0.15 H new ATOM 0 HB2 CYS A 13 39.952 24.072 17.037 1.00 0.19 H new ATOM 0 HB3 CYS A 13 41.486 24.916 17.121 1.00 0.19 H new ATOM 0 HG CYS A 13 40.560 27.371 16.360 1.00 1.38 H new ATOM 189 N GLN A 14 42.655 25.941 14.560 1.00 0.17 N ATOM 190 CA GLN A 14 43.245 27.078 13.802 1.00 0.21 C ATOM 191 C GLN A 14 43.001 26.872 12.304 1.00 0.21 C ATOM 192 O GLN A 14 42.808 27.813 11.560 1.00 0.28 O ATOM 193 CB GLN A 14 44.750 27.136 14.076 1.00 0.25 C ATOM 194 CG GLN A 14 45.318 28.476 13.605 1.00 0.64 C ATOM 195 CD GLN A 14 45.357 28.507 12.076 1.00 0.78 C ATOM 196 OE1 GLN A 14 45.915 27.626 11.453 1.00 1.68 O ATOM 197 NE2 GLN A 14 44.783 29.491 11.441 1.00 1.31 N ATOM 0 H GLN A 14 43.264 25.531 15.268 1.00 0.17 H new ATOM 0 HA GLN A 14 42.781 28.013 14.117 1.00 0.21 H new ATOM 0 HB2 GLN A 14 44.939 27.006 15.142 1.00 0.25 H new ATOM 0 HB3 GLN A 14 45.253 26.318 13.561 1.00 0.25 H new ATOM 0 HG2 GLN A 14 44.704 29.295 13.980 1.00 0.64 H new ATOM 0 HG3 GLN A 14 46.321 28.619 14.008 1.00 0.64 H new ATOM 0 HE21 GLN A 14 44.314 30.231 11.964 1.00 1.31 H new ATOM 0 HE22 GLN A 14 44.803 29.521 10.422 1.00 1.31 H new ATOM 206 N LYS A 15 43.001 25.645 11.859 1.00 0.20 N ATOM 207 CA LYS A 15 42.762 25.375 10.413 1.00 0.22 C ATOM 208 C LYS A 15 41.268 25.528 10.118 1.00 0.19 C ATOM 209 O LYS A 15 40.866 26.303 9.274 1.00 0.22 O ATOM 210 CB LYS A 15 43.211 23.953 10.083 1.00 0.25 C ATOM 211 CG LYS A 15 44.711 23.818 10.375 1.00 0.57 C ATOM 212 CD LYS A 15 45.159 22.353 10.221 1.00 1.16 C ATOM 213 CE LYS A 15 45.486 22.049 8.754 1.00 1.52 C ATOM 214 NZ LYS A 15 46.865 22.524 8.446 1.00 2.24 N ATOM 0 H LYS A 15 43.156 24.818 12.435 1.00 0.20 H new ATOM 0 HA LYS A 15 43.328 26.080 9.804 1.00 0.22 H new ATOM 0 HB2 LYS A 15 42.647 23.234 10.676 1.00 0.25 H new ATOM 0 HB3 LYS A 15 43.011 23.729 9.035 1.00 0.25 H new ATOM 0 HG2 LYS A 15 45.279 24.452 9.694 1.00 0.57 H new ATOM 0 HG3 LYS A 15 44.924 24.165 11.386 1.00 0.57 H new ATOM 0 HD2 LYS A 15 46.035 22.166 10.842 1.00 1.16 H new ATOM 0 HD3 LYS A 15 44.371 21.686 10.571 1.00 1.16 H new ATOM 0 HE2 LYS A 15 45.408 20.978 8.567 1.00 1.52 H new ATOM 0 HE3 LYS A 15 44.766 22.540 8.100 1.00 1.52 H new ATOM 0 HZ1 LYS A 15 47.089 22.319 7.451 1.00 2.24 H new ATOM 0 HZ2 LYS A 15 46.924 23.549 8.610 1.00 2.24 H new ATOM 0 HZ3 LYS A 15 47.546 22.036 9.062 1.00 2.24 H new ATOM 228 N LEU A 16 40.444 24.796 10.819 1.00 0.15 N ATOM 229 CA LEU A 16 38.972 24.891 10.606 1.00 0.13 C ATOM 230 C LEU A 16 38.566 26.370 10.510 1.00 0.13 C ATOM 231 O LEU A 16 37.552 26.715 9.936 1.00 0.17 O ATOM 232 CB LEU A 16 38.273 24.223 11.813 1.00 0.11 C ATOM 233 CG LEU A 16 37.031 23.427 11.372 1.00 0.14 C ATOM 234 CD1 LEU A 16 37.446 22.140 10.639 1.00 0.26 C ATOM 235 CD2 LEU A 16 36.215 23.064 12.618 1.00 0.17 C ATOM 0 H LEU A 16 40.731 24.130 11.537 1.00 0.15 H new ATOM 0 HA LEU A 16 38.681 24.390 9.683 1.00 0.13 H new ATOM 0 HB2 LEU A 16 38.973 23.558 12.318 1.00 0.11 H new ATOM 0 HB3 LEU A 16 37.981 24.986 12.534 1.00 0.11 H new ATOM 0 HG LEU A 16 36.436 24.036 10.691 1.00 0.14 H new ATOM 0 HD11 LEU A 16 36.555 21.591 10.335 1.00 0.26 H new ATOM 0 HD12 LEU A 16 38.032 22.397 9.757 1.00 0.26 H new ATOM 0 HD13 LEU A 16 38.045 21.519 11.305 1.00 0.26 H new ATOM 0 HD21 LEU A 16 35.331 22.499 12.322 1.00 0.17 H new ATOM 0 HD22 LEU A 16 36.825 22.458 13.289 1.00 0.17 H new ATOM 0 HD23 LEU A 16 35.908 23.976 13.130 1.00 0.17 H new ATOM 247 N LEU A 17 39.349 27.235 11.091 1.00 0.12 N ATOM 248 CA LEU A 17 39.026 28.687 11.068 1.00 0.13 C ATOM 249 C LEU A 17 39.513 29.333 9.766 1.00 0.15 C ATOM 250 O LEU A 17 38.740 29.897 9.016 1.00 0.22 O ATOM 251 CB LEU A 17 39.724 29.351 12.261 1.00 0.12 C ATOM 252 CG LEU A 17 39.078 30.717 12.568 1.00 0.12 C ATOM 253 CD1 LEU A 17 37.867 30.525 13.489 1.00 0.12 C ATOM 254 CD2 LEU A 17 40.095 31.625 13.272 1.00 0.13 C ATOM 0 H LEU A 17 40.208 26.994 11.586 1.00 0.12 H new ATOM 0 HA LEU A 17 37.946 28.820 11.129 1.00 0.13 H new ATOM 0 HB2 LEU A 17 39.657 28.705 13.136 1.00 0.12 H new ATOM 0 HB3 LEU A 17 40.784 29.483 12.043 1.00 0.12 H new ATOM 0 HG LEU A 17 38.760 31.174 11.631 1.00 0.12 H new ATOM 0 HD11 LEU A 17 37.415 31.494 13.702 1.00 0.12 H new ATOM 0 HD12 LEU A 17 37.135 29.883 12.999 1.00 0.12 H new ATOM 0 HD13 LEU A 17 38.189 30.062 14.422 1.00 0.12 H new ATOM 0 HD21 LEU A 17 39.634 32.589 13.487 1.00 0.13 H new ATOM 0 HD22 LEU A 17 40.414 31.159 14.204 1.00 0.13 H new ATOM 0 HD23 LEU A 17 40.960 31.772 12.625 1.00 0.13 H new ATOM 266 N GLU A 18 40.788 29.274 9.502 1.00 0.20 N ATOM 267 CA GLU A 18 41.325 29.904 8.264 1.00 0.25 C ATOM 268 C GLU A 18 40.675 29.275 7.026 1.00 0.21 C ATOM 269 O GLU A 18 40.375 29.952 6.063 1.00 0.25 O ATOM 270 CB GLU A 18 42.850 29.720 8.221 1.00 0.32 C ATOM 271 CG GLU A 18 43.209 28.293 7.780 1.00 1.41 C ATOM 272 CD GLU A 18 44.642 27.962 8.208 1.00 2.13 C ATOM 273 OE1 GLU A 18 45.313 28.854 8.702 1.00 2.77 O ATOM 274 OE2 GLU A 18 45.044 26.823 8.034 1.00 2.62 O ATOM 0 H GLU A 18 41.483 28.816 10.091 1.00 0.20 H new ATOM 0 HA GLU A 18 41.093 30.969 8.269 1.00 0.25 H new ATOM 0 HB2 GLU A 18 43.290 30.441 7.532 1.00 0.32 H new ATOM 0 HB3 GLU A 18 43.274 29.920 9.205 1.00 0.32 H new ATOM 0 HG2 GLU A 18 42.514 27.580 8.223 1.00 1.41 H new ATOM 0 HG3 GLU A 18 43.113 28.202 6.698 1.00 1.41 H new ATOM 281 N LYS A 19 40.461 27.989 7.039 1.00 0.20 N ATOM 282 CA LYS A 19 39.838 27.333 5.855 1.00 0.20 C ATOM 283 C LYS A 19 38.494 28.009 5.562 1.00 0.18 C ATOM 284 O LYS A 19 38.230 28.434 4.455 1.00 0.24 O ATOM 285 CB LYS A 19 39.647 25.825 6.154 1.00 0.22 C ATOM 286 CG LYS A 19 40.211 24.971 5.008 1.00 0.30 C ATOM 287 CD LYS A 19 40.074 23.487 5.362 1.00 0.37 C ATOM 288 CE LYS A 19 40.974 22.653 4.447 1.00 0.92 C ATOM 289 NZ LYS A 19 40.829 23.125 3.041 1.00 1.77 N ATOM 0 H LYS A 19 40.689 27.366 7.814 1.00 0.20 H new ATOM 0 HA LYS A 19 40.478 27.434 4.979 1.00 0.20 H new ATOM 0 HB2 LYS A 19 40.148 25.567 7.087 1.00 0.22 H new ATOM 0 HB3 LYS A 19 38.588 25.607 6.290 1.00 0.22 H new ATOM 0 HG2 LYS A 19 39.676 25.186 4.083 1.00 0.30 H new ATOM 0 HG3 LYS A 19 41.258 25.220 4.836 1.00 0.30 H new ATOM 0 HD2 LYS A 19 40.349 23.325 6.404 1.00 0.37 H new ATOM 0 HD3 LYS A 19 39.036 23.172 5.253 1.00 0.37 H new ATOM 0 HE2 LYS A 19 42.013 22.739 4.765 1.00 0.92 H new ATOM 0 HE3 LYS A 19 40.705 21.599 4.517 1.00 0.92 H new ATOM 0 HZ1 LYS A 19 41.183 22.394 2.391 1.00 1.77 H new ATOM 0 HZ2 LYS A 19 39.826 23.312 2.839 1.00 1.77 H new ATOM 0 HZ3 LYS A 19 41.377 23.999 2.910 1.00 1.77 H new ATOM 303 N PHE A 20 37.651 28.123 6.549 1.00 0.16 N ATOM 304 CA PHE A 20 36.339 28.783 6.335 1.00 0.16 C ATOM 305 C PHE A 20 36.541 30.295 6.439 1.00 0.19 C ATOM 306 O PHE A 20 35.607 31.070 6.368 1.00 0.30 O ATOM 307 CB PHE A 20 35.369 28.311 7.413 1.00 0.14 C ATOM 308 CG PHE A 20 34.941 26.891 7.117 1.00 0.13 C ATOM 309 CD1 PHE A 20 35.831 25.840 7.370 1.00 0.13 C ATOM 310 CD2 PHE A 20 33.666 26.619 6.591 1.00 0.13 C ATOM 311 CE1 PHE A 20 35.454 24.521 7.101 1.00 0.12 C ATOM 312 CE2 PHE A 20 33.292 25.296 6.322 1.00 0.13 C ATOM 313 CZ PHE A 20 34.187 24.249 6.578 1.00 0.12 C ATOM 0 H PHE A 20 37.817 27.786 7.497 1.00 0.16 H new ATOM 0 HA PHE A 20 35.934 28.533 5.355 1.00 0.16 H new ATOM 0 HB2 PHE A 20 35.844 28.363 8.393 1.00 0.14 H new ATOM 0 HB3 PHE A 20 34.498 28.966 7.446 1.00 0.14 H new ATOM 0 HD1 PHE A 20 36.811 26.049 7.774 1.00 0.13 H new ATOM 0 HD2 PHE A 20 32.977 27.427 6.395 1.00 0.13 H new ATOM 0 HE1 PHE A 20 36.142 23.712 7.297 1.00 0.12 H new ATOM 0 HE2 PHE A 20 32.314 25.083 5.917 1.00 0.13 H new ATOM 0 HZ PHE A 20 33.897 23.229 6.371 1.00 0.12 H new ATOM 323 N ARG A 21 37.769 30.711 6.597 1.00 0.18 N ATOM 324 CA ARG A 21 38.072 32.169 6.697 1.00 0.21 C ATOM 325 C ARG A 21 37.204 32.836 7.772 1.00 0.18 C ATOM 326 O ARG A 21 36.718 33.934 7.585 1.00 0.19 O ATOM 327 CB ARG A 21 37.802 32.834 5.345 1.00 0.29 C ATOM 328 CG ARG A 21 38.826 32.344 4.318 1.00 0.65 C ATOM 329 CD ARG A 21 38.713 33.181 3.043 1.00 1.12 C ATOM 330 NE ARG A 21 37.290 33.227 2.602 1.00 1.93 N ATOM 331 CZ ARG A 21 36.910 34.112 1.722 1.00 2.67 C ATOM 332 NH1 ARG A 21 37.778 34.953 1.228 1.00 2.95 N ATOM 333 NH2 ARG A 21 35.664 34.156 1.334 1.00 3.64 N ATOM 0 H ARG A 21 38.582 30.098 6.662 1.00 0.18 H new ATOM 0 HA ARG A 21 39.120 32.288 6.974 1.00 0.21 H new ATOM 0 HB2 ARG A 21 36.793 32.599 5.008 1.00 0.29 H new ATOM 0 HB3 ARG A 21 37.861 33.918 5.443 1.00 0.29 H new ATOM 0 HG2 ARG A 21 39.833 32.421 4.728 1.00 0.65 H new ATOM 0 HG3 ARG A 21 38.654 31.292 4.091 1.00 0.65 H new ATOM 0 HD2 ARG A 21 39.081 34.191 3.225 1.00 1.12 H new ATOM 0 HD3 ARG A 21 39.334 32.752 2.257 1.00 1.12 H new ATOM 0 HE ARG A 21 36.614 32.567 2.988 1.00 1.93 H new ATOM 0 HH11 ARG A 21 38.752 34.917 1.530 1.00 2.95 H new ATOM 0 HH12 ARG A 21 37.483 35.646 0.540 1.00 2.95 H new ATOM 0 HH21 ARG A 21 34.986 33.498 1.719 1.00 3.64 H new ATOM 0 HH22 ARG A 21 35.368 34.848 0.646 1.00 3.64 H new ATOM 347 N TYR A 22 37.007 32.200 8.900 1.00 0.15 N ATOM 348 CA TYR A 22 36.175 32.832 9.970 1.00 0.13 C ATOM 349 C TYR A 22 37.060 33.805 10.792 1.00 0.14 C ATOM 350 O TYR A 22 38.250 33.583 10.901 1.00 0.15 O ATOM 351 CB TYR A 22 35.638 31.741 10.914 1.00 0.11 C ATOM 352 CG TYR A 22 34.381 31.084 10.354 1.00 0.11 C ATOM 353 CD1 TYR A 22 33.246 31.849 10.021 1.00 0.12 C ATOM 354 CD2 TYR A 22 34.349 29.692 10.179 1.00 0.11 C ATOM 355 CE1 TYR A 22 32.101 31.222 9.518 1.00 0.13 C ATOM 356 CE2 TYR A 22 33.201 29.071 9.675 1.00 0.12 C ATOM 357 CZ TYR A 22 32.079 29.835 9.344 1.00 0.13 C ATOM 358 OH TYR A 22 30.948 29.221 8.849 1.00 0.15 O ATOM 0 H TYR A 22 37.382 31.279 9.125 1.00 0.15 H new ATOM 0 HA TYR A 22 35.344 33.370 9.513 1.00 0.13 H new ATOM 0 HB2 TYR A 22 36.406 30.984 11.070 1.00 0.11 H new ATOM 0 HB3 TYR A 22 35.418 32.178 11.888 1.00 0.11 H new ATOM 0 HD1 TYR A 22 33.260 32.921 10.154 1.00 0.12 H new ATOM 0 HD2 TYR A 22 35.214 29.098 10.434 1.00 0.11 H new ATOM 0 HE1 TYR A 22 31.232 31.811 9.264 1.00 0.13 H new ATOM 0 HE2 TYR A 22 33.182 27.999 9.542 1.00 0.12 H new ATOM 0 HH TYR A 22 30.204 29.355 9.472 1.00 0.15 H new ATOM 368 N PRO A 23 36.467 34.838 11.376 1.00 0.14 N ATOM 369 CA PRO A 23 37.224 35.796 12.209 1.00 0.16 C ATOM 370 C PRO A 23 37.877 35.066 13.396 1.00 0.16 C ATOM 371 O PRO A 23 37.706 33.878 13.582 1.00 0.15 O ATOM 372 CB PRO A 23 36.179 36.829 12.692 1.00 0.17 C ATOM 373 CG PRO A 23 34.792 36.366 12.168 1.00 0.15 C ATOM 374 CD PRO A 23 35.025 35.141 11.256 1.00 0.14 C ATOM 0 HA PRO A 23 38.032 36.277 11.658 1.00 0.16 H new ATOM 0 HB2 PRO A 23 36.177 36.893 13.780 1.00 0.17 H new ATOM 0 HB3 PRO A 23 36.419 37.823 12.315 1.00 0.17 H new ATOM 0 HG2 PRO A 23 34.136 36.106 12.999 1.00 0.15 H new ATOM 0 HG3 PRO A 23 34.304 37.168 11.615 1.00 0.15 H new ATOM 0 HD2 PRO A 23 34.417 34.293 11.572 1.00 0.14 H new ATOM 0 HD3 PRO A 23 34.753 35.361 10.224 1.00 0.14 H new ATOM 382 N TRP A 24 38.636 35.778 14.186 1.00 0.18 N ATOM 383 CA TRP A 24 39.326 35.150 15.354 1.00 0.19 C ATOM 384 C TRP A 24 38.370 34.968 16.541 1.00 0.19 C ATOM 385 O TRP A 24 38.680 34.269 17.485 1.00 0.21 O ATOM 386 CB TRP A 24 40.489 36.047 15.782 1.00 0.21 C ATOM 387 CG TRP A 24 41.183 35.438 16.958 1.00 0.28 C ATOM 388 CD1 TRP A 24 41.228 35.977 18.198 1.00 0.34 C ATOM 389 CD2 TRP A 24 41.930 34.190 17.026 1.00 0.33 C ATOM 390 NE1 TRP A 24 41.955 35.138 19.024 1.00 0.42 N ATOM 391 CE2 TRP A 24 42.409 34.023 18.347 1.00 0.42 C ATOM 392 CE3 TRP A 24 42.236 33.195 16.080 1.00 0.35 C ATOM 393 CZ2 TRP A 24 43.164 32.909 18.716 1.00 0.50 C ATOM 394 CZ3 TRP A 24 42.996 32.073 16.448 1.00 0.45 C ATOM 395 CH2 TRP A 24 43.459 31.931 17.763 1.00 0.52 C ATOM 0 H TRP A 24 38.810 36.777 14.072 1.00 0.18 H new ATOM 0 HA TRP A 24 39.685 34.166 15.053 1.00 0.19 H new ATOM 0 HB2 TRP A 24 41.190 36.170 14.956 1.00 0.21 H new ATOM 0 HB3 TRP A 24 40.121 37.040 16.038 1.00 0.21 H new ATOM 0 HD1 TRP A 24 40.771 36.910 18.495 1.00 0.34 H new ATOM 0 HE1 TRP A 24 42.134 35.321 20.012 1.00 0.42 H new ATOM 0 HE3 TRP A 24 41.884 33.295 15.064 1.00 0.35 H new ATOM 0 HZ2 TRP A 24 43.518 32.804 19.731 1.00 0.50 H new ATOM 0 HZ3 TRP A 24 43.225 31.315 15.713 1.00 0.45 H new ATOM 0 HH2 TRP A 24 44.044 31.066 18.040 1.00 0.52 H new ATOM 406 N GLU A 25 37.227 35.601 16.527 1.00 0.18 N ATOM 407 CA GLU A 25 36.290 35.464 17.687 1.00 0.21 C ATOM 408 C GLU A 25 35.480 34.158 17.594 1.00 0.17 C ATOM 409 O GLU A 25 34.856 33.749 18.553 1.00 0.20 O ATOM 410 CB GLU A 25 35.336 36.672 17.717 1.00 0.29 C ATOM 411 CG GLU A 25 35.052 37.141 16.287 1.00 1.15 C ATOM 412 CD GLU A 25 33.806 38.031 16.273 1.00 1.55 C ATOM 413 OE1 GLU A 25 32.720 37.492 16.144 1.00 2.18 O ATOM 414 OE2 GLU A 25 33.961 39.235 16.390 1.00 1.97 O ATOM 0 H GLU A 25 36.901 36.203 15.771 1.00 0.18 H new ATOM 0 HA GLU A 25 36.876 35.433 18.606 1.00 0.21 H new ATOM 0 HB2 GLU A 25 34.404 36.399 18.212 1.00 0.29 H new ATOM 0 HB3 GLU A 25 35.779 37.483 18.295 1.00 0.29 H new ATOM 0 HG2 GLU A 25 35.908 37.692 15.898 1.00 1.15 H new ATOM 0 HG3 GLU A 25 34.903 36.281 15.635 1.00 1.15 H new ATOM 421 N LEU A 26 35.467 33.501 16.461 1.00 0.13 N ATOM 422 CA LEU A 26 34.674 32.232 16.345 1.00 0.11 C ATOM 423 C LEU A 26 35.547 31.016 16.667 1.00 0.10 C ATOM 424 O LEU A 26 35.313 29.932 16.171 1.00 0.11 O ATOM 425 CB LEU A 26 34.126 32.086 14.924 1.00 0.10 C ATOM 426 CG LEU A 26 33.510 33.407 14.450 1.00 0.10 C ATOM 427 CD1 LEU A 26 32.681 33.145 13.195 1.00 0.11 C ATOM 428 CD2 LEU A 26 32.601 33.995 15.536 1.00 0.12 C ATOM 0 H LEU A 26 35.965 33.783 15.617 1.00 0.13 H new ATOM 0 HA LEU A 26 33.851 32.281 17.058 1.00 0.11 H new ATOM 0 HB2 LEU A 26 34.927 31.788 14.248 1.00 0.10 H new ATOM 0 HB3 LEU A 26 33.375 31.297 14.896 1.00 0.10 H new ATOM 0 HG LEU A 26 34.310 34.116 14.237 1.00 0.10 H new ATOM 0 HD11 LEU A 26 32.238 34.079 12.850 1.00 0.11 H new ATOM 0 HD12 LEU A 26 33.322 32.737 12.414 1.00 0.11 H new ATOM 0 HD13 LEU A 26 31.890 32.431 13.424 1.00 0.11 H new ATOM 0 HD21 LEU A 26 32.172 34.933 15.183 1.00 0.12 H new ATOM 0 HD22 LEU A 26 31.800 33.291 15.760 1.00 0.12 H new ATOM 0 HD23 LEU A 26 33.184 34.180 16.438 1.00 0.12 H new ATOM 440 N MET A 27 36.542 31.171 17.494 1.00 0.12 N ATOM 441 CA MET A 27 37.398 30.002 17.833 1.00 0.13 C ATOM 442 C MET A 27 36.650 29.025 18.779 1.00 0.11 C ATOM 443 O MET A 27 36.820 27.830 18.643 1.00 0.13 O ATOM 444 CB MET A 27 38.721 30.478 18.475 1.00 0.18 C ATOM 445 CG MET A 27 39.734 30.842 17.382 1.00 0.19 C ATOM 446 SD MET A 27 40.474 29.334 16.703 1.00 1.17 S ATOM 447 CE MET A 27 41.397 28.821 18.176 1.00 0.31 C ATOM 0 H MET A 27 36.798 32.049 17.946 1.00 0.12 H new ATOM 0 HA MET A 27 37.630 29.466 16.913 1.00 0.13 H new ATOM 0 HB2 MET A 27 38.535 31.342 19.112 1.00 0.18 H new ATOM 0 HB3 MET A 27 39.128 29.693 19.113 1.00 0.18 H new ATOM 0 HG2 MET A 27 39.241 31.405 16.589 1.00 0.19 H new ATOM 0 HG3 MET A 27 40.511 31.486 17.794 1.00 0.19 H new ATOM 0 HE1 MET A 27 42.327 28.339 17.873 1.00 0.31 H new ATOM 0 HE2 MET A 27 41.623 29.695 18.786 1.00 0.31 H new ATOM 0 HE3 MET A 27 40.797 28.119 18.755 1.00 0.31 H new ATOM 457 N PRO A 28 35.846 29.525 19.713 1.00 0.10 N ATOM 458 CA PRO A 28 35.112 28.636 20.644 1.00 0.09 C ATOM 459 C PRO A 28 34.188 27.676 19.880 1.00 0.10 C ATOM 460 O PRO A 28 33.838 26.626 20.374 1.00 0.19 O ATOM 461 CB PRO A 28 34.307 29.592 21.550 1.00 0.09 C ATOM 462 CG PRO A 28 34.854 31.018 21.290 1.00 0.11 C ATOM 463 CD PRO A 28 35.598 30.968 19.943 1.00 0.11 C ATOM 0 HA PRO A 28 35.784 28.000 21.221 1.00 0.09 H new ATOM 0 HB2 PRO A 28 33.243 29.538 21.321 1.00 0.09 H new ATOM 0 HB3 PRO A 28 34.421 29.319 22.599 1.00 0.09 H new ATOM 0 HG2 PRO A 28 34.042 31.744 21.257 1.00 0.11 H new ATOM 0 HG3 PRO A 28 35.525 31.327 22.091 1.00 0.11 H new ATOM 0 HD2 PRO A 28 34.999 31.401 19.142 1.00 0.11 H new ATOM 0 HD3 PRO A 28 36.531 31.530 19.983 1.00 0.11 H new ATOM 471 N LEU A 29 33.789 28.015 18.686 1.00 0.11 N ATOM 472 CA LEU A 29 32.900 27.094 17.920 1.00 0.09 C ATOM 473 C LEU A 29 33.770 26.064 17.210 1.00 0.10 C ATOM 474 O LEU A 29 33.568 24.873 17.338 1.00 0.19 O ATOM 475 CB LEU A 29 32.081 27.886 16.899 1.00 0.08 C ATOM 476 CG LEU A 29 31.318 29.010 17.611 1.00 0.08 C ATOM 477 CD1 LEU A 29 30.705 29.942 16.567 1.00 0.09 C ATOM 478 CD2 LEU A 29 30.200 28.416 18.481 1.00 0.08 C ATOM 0 H LEU A 29 34.037 28.882 18.209 1.00 0.11 H new ATOM 0 HA LEU A 29 32.209 26.592 18.598 1.00 0.09 H new ATOM 0 HB2 LEU A 29 32.738 28.305 16.137 1.00 0.08 H new ATOM 0 HB3 LEU A 29 31.381 27.225 16.388 1.00 0.08 H new ATOM 0 HG LEU A 29 32.008 29.566 18.246 1.00 0.08 H new ATOM 0 HD11 LEU A 29 30.161 30.743 17.069 1.00 0.09 H new ATOM 0 HD12 LEU A 29 31.497 30.370 15.952 1.00 0.09 H new ATOM 0 HD13 LEU A 29 30.019 29.379 15.934 1.00 0.09 H new ATOM 0 HD21 LEU A 29 29.663 29.221 18.983 1.00 0.08 H new ATOM 0 HD22 LEU A 29 29.508 27.856 17.852 1.00 0.08 H new ATOM 0 HD23 LEU A 29 30.634 27.749 19.226 1.00 0.08 H new ATOM 490 N MET A 30 34.757 26.509 16.486 1.00 0.10 N ATOM 491 CA MET A 30 35.658 25.548 15.799 1.00 0.12 C ATOM 492 C MET A 30 36.187 24.571 16.848 1.00 0.10 C ATOM 493 O MET A 30 36.677 23.502 16.541 1.00 0.11 O ATOM 494 CB MET A 30 36.826 26.315 15.176 1.00 0.16 C ATOM 495 CG MET A 30 36.372 26.992 13.883 1.00 0.19 C ATOM 496 SD MET A 30 34.951 28.065 14.227 1.00 1.16 S ATOM 497 CE MET A 30 33.915 27.571 12.825 1.00 0.20 C ATOM 0 H MET A 30 34.978 27.494 16.341 1.00 0.10 H new ATOM 0 HA MET A 30 35.126 25.010 15.015 1.00 0.12 H new ATOM 0 HB2 MET A 30 37.197 27.062 15.877 1.00 0.16 H new ATOM 0 HB3 MET A 30 37.651 25.634 14.970 1.00 0.16 H new ATOM 0 HG2 MET A 30 37.189 27.577 13.460 1.00 0.19 H new ATOM 0 HG3 MET A 30 36.102 26.240 13.142 1.00 0.19 H new ATOM 0 HE1 MET A 30 33.273 28.403 12.536 1.00 0.20 H new ATOM 0 HE2 MET A 30 34.550 27.293 11.984 1.00 0.20 H new ATOM 0 HE3 MET A 30 33.298 26.719 13.111 1.00 0.20 H new ATOM 507 N TYR A 31 36.082 24.950 18.093 1.00 0.09 N ATOM 508 CA TYR A 31 36.564 24.080 19.201 1.00 0.09 C ATOM 509 C TYR A 31 35.534 22.975 19.464 1.00 0.09 C ATOM 510 O TYR A 31 35.843 21.802 19.395 1.00 0.10 O ATOM 511 CB TYR A 31 36.748 24.948 20.454 1.00 0.09 C ATOM 512 CG TYR A 31 36.957 24.088 21.676 1.00 0.10 C ATOM 513 CD1 TYR A 31 38.247 23.693 22.040 1.00 0.11 C ATOM 514 CD2 TYR A 31 35.859 23.698 22.449 1.00 0.10 C ATOM 515 CE1 TYR A 31 38.440 22.903 23.179 1.00 0.12 C ATOM 516 CE2 TYR A 31 36.049 22.910 23.589 1.00 0.11 C ATOM 517 CZ TYR A 31 37.341 22.511 23.954 1.00 0.12 C ATOM 518 OH TYR A 31 37.532 21.733 25.078 1.00 0.14 O ATOM 0 H TYR A 31 35.677 25.837 18.392 1.00 0.09 H new ATOM 0 HA TYR A 31 37.514 23.615 18.937 1.00 0.09 H new ATOM 0 HB2 TYR A 31 37.603 25.611 20.320 1.00 0.09 H new ATOM 0 HB3 TYR A 31 35.872 25.581 20.595 1.00 0.09 H new ATOM 0 HD1 TYR A 31 39.094 23.997 21.443 1.00 0.11 H new ATOM 0 HD2 TYR A 31 34.863 24.005 22.166 1.00 0.10 H new ATOM 0 HE1 TYR A 31 39.436 22.596 23.460 1.00 0.12 H new ATOM 0 HE2 TYR A 31 35.201 22.610 24.187 1.00 0.11 H new ATOM 0 HH TYR A 31 36.667 21.552 25.501 1.00 0.14 H new ATOM 528 N VAL A 32 34.312 23.335 19.760 1.00 0.09 N ATOM 529 CA VAL A 32 33.278 22.292 20.016 1.00 0.09 C ATOM 530 C VAL A 32 33.181 21.375 18.795 1.00 0.09 C ATOM 531 O VAL A 32 33.281 20.170 18.904 1.00 0.12 O ATOM 532 CB VAL A 32 31.918 22.953 20.264 1.00 0.09 C ATOM 533 CG1 VAL A 32 30.882 21.873 20.599 1.00 0.09 C ATOM 534 CG2 VAL A 32 32.027 23.940 21.435 1.00 0.12 C ATOM 0 H VAL A 32 33.988 24.299 19.835 1.00 0.09 H new ATOM 0 HA VAL A 32 33.558 21.713 20.896 1.00 0.09 H new ATOM 0 HB VAL A 32 31.609 23.492 19.368 1.00 0.09 H new ATOM 0 HG11 VAL A 32 29.913 22.340 20.776 1.00 0.09 H new ATOM 0 HG12 VAL A 32 30.801 21.175 19.766 1.00 0.09 H new ATOM 0 HG13 VAL A 32 31.194 21.335 21.494 1.00 0.09 H new ATOM 0 HG21 VAL A 32 31.058 24.408 21.608 1.00 0.12 H new ATOM 0 HG22 VAL A 32 32.338 23.406 22.333 1.00 0.12 H new ATOM 0 HG23 VAL A 32 32.763 24.708 21.196 1.00 0.12 H new ATOM 544 N ILE A 33 32.986 21.942 17.632 1.00 0.09 N ATOM 545 CA ILE A 33 32.879 21.121 16.391 1.00 0.09 C ATOM 546 C ILE A 33 33.953 20.017 16.395 1.00 0.10 C ATOM 547 O ILE A 33 33.640 18.847 16.492 1.00 0.11 O ATOM 548 CB ILE A 33 33.035 22.064 15.190 1.00 0.09 C ATOM 549 CG1 ILE A 33 31.874 23.068 15.233 1.00 0.10 C ATOM 550 CG2 ILE A 33 32.994 21.282 13.871 1.00 0.10 C ATOM 551 CD1 ILE A 33 31.910 23.980 14.008 1.00 0.09 C ATOM 0 H ILE A 33 32.896 22.948 17.489 1.00 0.09 H new ATOM 0 HA ILE A 33 31.911 20.623 16.333 1.00 0.09 H new ATOM 0 HB ILE A 33 33.996 22.575 15.244 1.00 0.09 H new ATOM 0 HG12 ILE A 33 30.925 22.534 15.268 1.00 0.10 H new ATOM 0 HG13 ILE A 33 31.937 23.667 16.142 1.00 0.10 H new ATOM 0 HG21 ILE A 33 33.107 21.972 13.035 1.00 0.10 H new ATOM 0 HG22 ILE A 33 33.806 20.555 13.853 1.00 0.10 H new ATOM 0 HG23 ILE A 33 32.040 20.762 13.786 1.00 0.10 H new ATOM 0 HD11 ILE A 33 31.080 24.685 14.055 1.00 0.09 H new ATOM 0 HD12 ILE A 33 32.852 24.529 13.990 1.00 0.09 H new ATOM 0 HD13 ILE A 33 31.824 23.378 13.103 1.00 0.09 H new ATOM 563 N LEU A 34 35.211 20.366 16.316 1.00 0.10 N ATOM 564 CA LEU A 34 36.275 19.315 16.344 1.00 0.11 C ATOM 565 C LEU A 34 36.030 18.405 17.558 1.00 0.13 C ATOM 566 O LEU A 34 36.100 17.197 17.461 1.00 0.20 O ATOM 567 CB LEU A 34 37.658 20.017 16.471 1.00 0.09 C ATOM 568 CG LEU A 34 38.496 20.048 15.141 1.00 0.09 C ATOM 569 CD1 LEU A 34 37.635 19.939 13.867 1.00 0.10 C ATOM 570 CD2 LEU A 34 39.284 21.363 15.091 1.00 0.10 C ATOM 0 H LEU A 34 35.547 21.325 16.234 1.00 0.10 H new ATOM 0 HA LEU A 34 36.256 18.716 15.434 1.00 0.11 H new ATOM 0 HB2 LEU A 34 37.502 21.041 16.812 1.00 0.09 H new ATOM 0 HB3 LEU A 34 38.240 19.510 17.241 1.00 0.09 H new ATOM 0 HG LEU A 34 39.152 19.178 15.156 1.00 0.09 H new ATOM 0 HD11 LEU A 34 38.280 19.967 12.989 1.00 0.10 H new ATOM 0 HD12 LEU A 34 37.082 19.000 13.881 1.00 0.10 H new ATOM 0 HD13 LEU A 34 36.934 20.773 13.829 1.00 0.10 H new ATOM 0 HD21 LEU A 34 39.871 21.401 14.174 1.00 0.10 H new ATOM 0 HD22 LEU A 34 38.591 22.204 15.113 1.00 0.10 H new ATOM 0 HD23 LEU A 34 39.951 21.421 15.951 1.00 0.10 H new ATOM 582 N LYS A 35 35.754 18.973 18.697 1.00 0.12 N ATOM 583 CA LYS A 35 35.518 18.132 19.906 1.00 0.15 C ATOM 584 C LYS A 35 34.439 17.093 19.599 1.00 0.21 C ATOM 585 O LYS A 35 34.445 15.999 20.127 1.00 0.29 O ATOM 586 CB LYS A 35 35.056 19.022 21.069 1.00 0.13 C ATOM 587 CG LYS A 35 35.258 18.281 22.399 1.00 0.17 C ATOM 588 CD LYS A 35 34.442 18.962 23.516 1.00 0.26 C ATOM 589 CE LYS A 35 33.015 18.398 23.551 1.00 0.80 C ATOM 590 NZ LYS A 35 33.014 17.098 24.280 1.00 1.49 N ATOM 0 H LYS A 35 35.681 19.980 18.845 1.00 0.12 H new ATOM 0 HA LYS A 35 36.443 17.626 20.183 1.00 0.15 H new ATOM 0 HB2 LYS A 35 35.620 19.955 21.072 1.00 0.13 H new ATOM 0 HB3 LYS A 35 34.006 19.285 20.944 1.00 0.13 H new ATOM 0 HG2 LYS A 35 34.949 17.241 22.295 1.00 0.17 H new ATOM 0 HG3 LYS A 35 36.315 18.274 22.663 1.00 0.17 H new ATOM 0 HD2 LYS A 35 34.927 18.803 24.479 1.00 0.26 H new ATOM 0 HD3 LYS A 35 34.411 20.039 23.349 1.00 0.26 H new ATOM 0 HE2 LYS A 35 32.345 19.104 24.043 1.00 0.80 H new ATOM 0 HE3 LYS A 35 32.642 18.259 22.536 1.00 0.80 H new ATOM 0 HZ1 LYS A 35 32.199 16.529 23.974 1.00 1.49 H new ATOM 0 HZ2 LYS A 35 33.893 16.583 24.072 1.00 1.49 H new ATOM 0 HZ3 LYS A 35 32.949 17.274 25.303 1.00 1.49 H new ATOM 604 N ASP A 36 33.507 17.435 18.756 1.00 0.24 N ATOM 605 CA ASP A 36 32.410 16.484 18.413 1.00 0.32 C ATOM 606 C ASP A 36 32.846 15.582 17.252 1.00 0.26 C ATOM 607 O ASP A 36 32.610 14.390 17.250 1.00 0.36 O ATOM 608 CB ASP A 36 31.158 17.286 18.008 1.00 0.42 C ATOM 609 CG ASP A 36 31.163 18.646 18.709 1.00 0.84 C ATOM 610 OD1 ASP A 36 31.654 18.716 19.823 1.00 1.56 O ATOM 611 OD2 ASP A 36 30.675 19.595 18.117 1.00 1.42 O ATOM 0 H ASP A 36 33.456 18.339 18.285 1.00 0.24 H new ATOM 0 HA ASP A 36 32.183 15.860 19.278 1.00 0.32 H new ATOM 0 HB2 ASP A 36 31.138 17.424 16.927 1.00 0.42 H new ATOM 0 HB3 ASP A 36 30.258 16.732 18.276 1.00 0.42 H new ATOM 616 N ALA A 37 33.460 16.157 16.259 1.00 0.18 N ATOM 617 CA ALA A 37 33.898 15.365 15.077 1.00 0.17 C ATOM 618 C ALA A 37 35.168 14.582 15.401 1.00 0.16 C ATOM 619 O ALA A 37 36.040 14.438 14.568 1.00 0.21 O ATOM 620 CB ALA A 37 34.188 16.330 13.928 1.00 0.19 C ATOM 0 H ALA A 37 33.680 17.152 16.214 1.00 0.18 H new ATOM 0 HA ALA A 37 33.112 14.662 14.802 1.00 0.17 H new ATOM 0 HB1 ALA A 37 34.511 15.767 13.052 1.00 0.19 H new ATOM 0 HB2 ALA A 37 33.285 16.890 13.686 1.00 0.19 H new ATOM 0 HB3 ALA A 37 34.976 17.022 14.224 1.00 0.19 H new ATOM 626 N ASP A 38 35.300 14.089 16.597 1.00 0.18 N ATOM 627 CA ASP A 38 36.539 13.342 16.934 1.00 0.20 C ATOM 628 C ASP A 38 37.732 14.236 16.590 1.00 0.18 C ATOM 629 O ASP A 38 38.855 13.790 16.469 1.00 0.22 O ATOM 630 CB ASP A 38 36.590 12.046 16.112 1.00 0.25 C ATOM 631 CG ASP A 38 37.478 11.014 16.816 1.00 1.00 C ATOM 632 OD1 ASP A 38 37.014 10.418 17.774 1.00 1.82 O ATOM 633 OD2 ASP A 38 38.605 10.838 16.383 1.00 1.65 O ATOM 0 H ASP A 38 34.614 14.169 17.347 1.00 0.18 H new ATOM 0 HA ASP A 38 36.562 13.081 17.992 1.00 0.20 H new ATOM 0 HB2 ASP A 38 35.584 11.646 15.985 1.00 0.25 H new ATOM 0 HB3 ASP A 38 36.979 12.253 15.115 1.00 0.25 H new ATOM 638 N ALA A 39 37.466 15.503 16.423 1.00 0.14 N ATOM 639 CA ALA A 39 38.529 16.479 16.074 1.00 0.14 C ATOM 640 C ALA A 39 39.078 16.176 14.679 1.00 0.14 C ATOM 641 O ALA A 39 40.088 16.714 14.272 1.00 0.16 O ATOM 642 CB ALA A 39 39.654 16.421 17.102 1.00 0.16 C ATOM 0 H ALA A 39 36.535 15.908 16.517 1.00 0.14 H new ATOM 0 HA ALA A 39 38.102 17.482 16.077 1.00 0.14 H new ATOM 0 HB1 ALA A 39 40.428 17.141 16.836 1.00 0.16 H new ATOM 0 HB2 ALA A 39 39.258 16.662 18.089 1.00 0.16 H new ATOM 0 HB3 ALA A 39 40.081 15.418 17.118 1.00 0.16 H new ATOM 648 N ASN A 40 38.415 15.332 13.937 1.00 0.14 N ATOM 649 CA ASN A 40 38.900 15.017 12.564 1.00 0.16 C ATOM 650 C ASN A 40 38.466 16.146 11.630 1.00 0.14 C ATOM 651 O ASN A 40 37.338 16.195 11.180 1.00 0.15 O ATOM 652 CB ASN A 40 38.298 13.687 12.094 1.00 0.20 C ATOM 653 CG ASN A 40 39.104 13.147 10.910 1.00 0.78 C ATOM 654 OD1 ASN A 40 39.425 11.976 10.862 1.00 1.77 O ATOM 655 ND2 ASN A 40 39.446 13.957 9.946 1.00 1.19 N ATOM 0 H ASN A 40 37.562 14.849 14.220 1.00 0.14 H new ATOM 0 HA ASN A 40 39.986 14.927 12.560 1.00 0.16 H new ATOM 0 HB2 ASN A 40 38.304 12.965 12.910 1.00 0.20 H new ATOM 0 HB3 ASN A 40 37.257 13.830 11.803 1.00 0.20 H new ATOM 0 HD21 ASN A 40 39.983 13.607 9.152 1.00 1.19 H new ATOM 0 HD22 ASN A 40 39.177 14.940 9.986 1.00 1.19 H new ATOM 662 N ILE A 41 39.348 17.066 11.356 1.00 0.13 N ATOM 663 CA ILE A 41 38.991 18.211 10.473 1.00 0.12 C ATOM 664 C ILE A 41 38.215 17.722 9.247 1.00 0.13 C ATOM 665 O ILE A 41 37.163 18.239 8.935 1.00 0.14 O ATOM 666 CB ILE A 41 40.268 18.942 10.051 1.00 0.13 C ATOM 667 CG1 ILE A 41 40.841 19.648 11.291 1.00 0.13 C ATOM 668 CG2 ILE A 41 39.937 19.965 8.950 1.00 0.15 C ATOM 669 CD1 ILE A 41 42.133 20.388 10.943 1.00 0.16 C ATOM 0 H ILE A 41 40.305 17.074 11.707 1.00 0.13 H new ATOM 0 HA ILE A 41 38.349 18.902 11.020 1.00 0.12 H new ATOM 0 HB ILE A 41 41.002 18.241 9.653 1.00 0.13 H new ATOM 0 HG12 ILE A 41 40.108 20.352 11.686 1.00 0.13 H new ATOM 0 HG13 ILE A 41 41.035 18.916 12.075 1.00 0.13 H new ATOM 0 HG21 ILE A 41 40.847 20.485 8.651 1.00 0.15 H new ATOM 0 HG22 ILE A 41 39.514 19.448 8.088 1.00 0.15 H new ATOM 0 HG23 ILE A 41 39.215 20.688 9.330 1.00 0.15 H new ATOM 0 HD11 ILE A 41 42.522 20.880 11.834 1.00 0.16 H new ATOM 0 HD12 ILE A 41 42.870 19.677 10.571 1.00 0.16 H new ATOM 0 HD13 ILE A 41 41.929 21.135 10.176 1.00 0.16 H new ATOM 681 N GLU A 42 38.708 16.736 8.548 1.00 0.15 N ATOM 682 CA GLU A 42 37.969 16.244 7.352 1.00 0.16 C ATOM 683 C GLU A 42 36.507 16.018 7.730 1.00 0.16 C ATOM 684 O GLU A 42 35.605 16.520 7.092 1.00 0.19 O ATOM 685 CB GLU A 42 38.588 14.932 6.868 1.00 0.19 C ATOM 686 CG GLU A 42 39.991 15.207 6.323 1.00 0.26 C ATOM 687 CD GLU A 42 40.686 13.882 6.008 1.00 1.04 C ATOM 688 OE1 GLU A 42 41.038 13.183 6.943 1.00 1.80 O ATOM 689 OE2 GLU A 42 40.854 13.588 4.836 1.00 1.67 O ATOM 0 H GLU A 42 39.583 16.254 8.751 1.00 0.15 H new ATOM 0 HA GLU A 42 38.031 16.981 6.551 1.00 0.16 H new ATOM 0 HB2 GLU A 42 38.638 14.215 7.688 1.00 0.19 H new ATOM 0 HB3 GLU A 42 37.965 14.486 6.093 1.00 0.19 H new ATOM 0 HG2 GLU A 42 39.929 15.820 5.424 1.00 0.26 H new ATOM 0 HG3 GLU A 42 40.572 15.770 7.053 1.00 0.26 H new ATOM 696 N GLU A 43 36.268 15.283 8.778 1.00 0.15 N ATOM 697 CA GLU A 43 34.866 15.045 9.209 1.00 0.16 C ATOM 698 C GLU A 43 34.228 16.385 9.581 1.00 0.15 C ATOM 699 O GLU A 43 33.230 16.782 9.017 1.00 0.21 O ATOM 700 CB GLU A 43 34.852 14.112 10.421 1.00 0.18 C ATOM 701 CG GLU A 43 33.436 13.575 10.638 1.00 0.33 C ATOM 702 CD GLU A 43 33.116 12.529 9.568 1.00 1.21 C ATOM 703 OE1 GLU A 43 33.971 11.699 9.306 1.00 1.84 O ATOM 704 OE2 GLU A 43 32.023 12.575 9.029 1.00 1.95 O ATOM 0 H GLU A 43 36.982 14.838 9.354 1.00 0.15 H new ATOM 0 HA GLU A 43 34.303 14.582 8.398 1.00 0.16 H new ATOM 0 HB2 GLU A 43 35.545 13.286 10.265 1.00 0.18 H new ATOM 0 HB3 GLU A 43 35.189 14.647 11.309 1.00 0.18 H new ATOM 0 HG2 GLU A 43 33.352 13.133 11.631 1.00 0.33 H new ATOM 0 HG3 GLU A 43 32.715 14.391 10.591 1.00 0.33 H new ATOM 711 N ALA A 44 34.796 17.092 10.521 1.00 0.13 N ATOM 712 CA ALA A 44 34.207 18.407 10.906 1.00 0.14 C ATOM 713 C ALA A 44 34.032 19.263 9.649 1.00 0.16 C ATOM 714 O ALA A 44 32.952 19.733 9.351 1.00 0.20 O ATOM 715 CB ALA A 44 35.124 19.129 11.901 1.00 0.14 C ATOM 0 H ALA A 44 35.634 16.819 11.035 1.00 0.13 H new ATOM 0 HA ALA A 44 33.239 18.244 11.380 1.00 0.14 H new ATOM 0 HB1 ALA A 44 34.682 20.087 12.174 1.00 0.14 H new ATOM 0 HB2 ALA A 44 35.244 18.517 12.795 1.00 0.14 H new ATOM 0 HB3 ALA A 44 36.099 19.296 11.442 1.00 0.14 H new ATOM 721 N SER A 45 35.085 19.467 8.906 1.00 0.16 N ATOM 722 CA SER A 45 34.974 20.290 7.667 1.00 0.21 C ATOM 723 C SER A 45 33.786 19.795 6.843 1.00 0.20 C ATOM 724 O SER A 45 33.080 20.567 6.225 1.00 0.32 O ATOM 725 CB SER A 45 36.255 20.155 6.837 1.00 0.26 C ATOM 726 OG SER A 45 36.164 18.995 6.020 1.00 1.01 O ATOM 0 H SER A 45 36.016 19.100 9.102 1.00 0.16 H new ATOM 0 HA SER A 45 34.830 21.336 7.938 1.00 0.21 H new ATOM 0 HB2 SER A 45 36.396 21.041 6.217 1.00 0.26 H new ATOM 0 HB3 SER A 45 37.122 20.085 7.494 1.00 0.26 H new ATOM 0 HG SER A 45 36.056 18.203 6.587 1.00 1.01 H new ATOM 732 N ARG A 46 33.562 18.510 6.831 1.00 0.18 N ATOM 733 CA ARG A 46 32.422 17.961 6.050 1.00 0.20 C ATOM 734 C ARG A 46 31.111 18.276 6.777 1.00 0.16 C ATOM 735 O ARG A 46 30.053 18.302 6.180 1.00 0.22 O ATOM 736 CB ARG A 46 32.597 16.447 5.893 1.00 0.23 C ATOM 737 CG ARG A 46 33.726 16.165 4.887 1.00 0.85 C ATOM 738 CD ARG A 46 34.264 14.744 5.090 1.00 1.14 C ATOM 739 NE ARG A 46 33.166 13.764 4.860 1.00 1.59 N ATOM 740 CZ ARG A 46 33.442 12.502 4.673 1.00 2.17 C ATOM 741 NH1 ARG A 46 34.681 12.093 4.689 1.00 2.66 N ATOM 742 NH2 ARG A 46 32.477 11.648 4.469 1.00 2.87 N ATOM 0 H ARG A 46 34.121 17.817 7.329 1.00 0.18 H new ATOM 0 HA ARG A 46 32.394 18.417 5.060 1.00 0.20 H new ATOM 0 HB2 ARG A 46 32.832 15.995 6.857 1.00 0.23 H new ATOM 0 HB3 ARG A 46 31.667 15.996 5.548 1.00 0.23 H new ATOM 0 HG2 ARG A 46 33.355 16.280 3.869 1.00 0.85 H new ATOM 0 HG3 ARG A 46 34.530 16.889 5.017 1.00 0.85 H new ATOM 0 HD2 ARG A 46 35.087 14.553 4.402 1.00 1.14 H new ATOM 0 HD3 ARG A 46 34.660 14.634 6.100 1.00 1.14 H new ATOM 0 HE ARG A 46 32.196 14.080 4.849 1.00 1.59 H new ATOM 0 HH11 ARG A 46 35.436 12.760 4.848 1.00 2.66 H new ATOM 0 HH12 ARG A 46 34.894 11.106 4.543 1.00 2.66 H new ATOM 0 HH21 ARG A 46 31.508 11.967 4.456 1.00 2.87 H new ATOM 0 HH22 ARG A 46 32.691 10.662 4.323 1.00 2.87 H new ATOM 756 N ARG A 47 31.171 18.538 8.058 1.00 0.13 N ATOM 757 CA ARG A 47 29.923 18.875 8.804 1.00 0.13 C ATOM 758 C ARG A 47 29.562 20.329 8.510 1.00 0.11 C ATOM 759 O ARG A 47 28.504 20.632 7.995 1.00 0.13 O ATOM 760 CB ARG A 47 30.146 18.715 10.312 1.00 0.18 C ATOM 761 CG ARG A 47 30.352 17.239 10.664 1.00 0.49 C ATOM 762 CD ARG A 47 30.130 17.036 12.166 1.00 0.62 C ATOM 763 NE ARG A 47 31.094 17.872 12.933 1.00 0.81 N ATOM 764 CZ ARG A 47 30.917 18.065 14.211 1.00 1.20 C ATOM 765 NH1 ARG A 47 29.875 17.558 14.809 1.00 1.99 N ATOM 766 NH2 ARG A 47 31.781 18.767 14.890 1.00 1.63 N ATOM 0 H ARG A 47 32.025 18.533 8.616 1.00 0.13 H new ATOM 0 HA ARG A 47 29.122 18.206 8.491 1.00 0.13 H new ATOM 0 HB2 ARG A 47 31.016 19.295 10.622 1.00 0.18 H new ATOM 0 HB3 ARG A 47 29.289 19.110 10.857 1.00 0.18 H new ATOM 0 HG2 ARG A 47 29.659 16.619 10.096 1.00 0.49 H new ATOM 0 HG3 ARG A 47 31.359 16.926 10.389 1.00 0.49 H new ATOM 0 HD2 ARG A 47 29.108 17.306 12.432 1.00 0.62 H new ATOM 0 HD3 ARG A 47 30.260 15.985 12.424 1.00 0.62 H new ATOM 0 HE ARG A 47 31.893 18.294 12.459 1.00 0.81 H new ATOM 0 HH11 ARG A 47 29.198 17.010 14.278 1.00 1.99 H new ATOM 0 HH12 ARG A 47 29.737 17.709 15.808 1.00 1.99 H new ATOM 0 HH21 ARG A 47 32.595 19.165 14.422 1.00 1.63 H new ATOM 0 HH22 ARG A 47 31.643 18.918 15.889 1.00 1.63 H new ATOM 780 N ILE A 48 30.450 21.229 8.830 1.00 0.10 N ATOM 781 CA ILE A 48 30.194 22.675 8.572 1.00 0.10 C ATOM 782 C ILE A 48 29.685 22.847 7.143 1.00 0.11 C ATOM 783 O ILE A 48 28.625 23.392 6.911 1.00 0.13 O ATOM 784 CB ILE A 48 31.497 23.449 8.757 1.00 0.10 C ATOM 785 CG1 ILE A 48 32.103 23.077 10.111 1.00 0.09 C ATOM 786 CG2 ILE A 48 31.206 24.948 8.727 1.00 0.11 C ATOM 787 CD1 ILE A 48 33.315 23.963 10.400 1.00 0.10 C ATOM 0 H ILE A 48 31.350 21.023 9.263 1.00 0.10 H new ATOM 0 HA ILE A 48 29.445 23.054 9.267 1.00 0.10 H new ATOM 0 HB ILE A 48 32.194 23.200 7.956 1.00 0.10 H new ATOM 0 HG12 ILE A 48 31.358 23.197 10.898 1.00 0.09 H new ATOM 0 HG13 ILE A 48 32.400 22.028 10.110 1.00 0.09 H new ATOM 0 HG21 ILE A 48 32.136 25.502 8.859 1.00 0.11 H new ATOM 0 HG22 ILE A 48 30.759 25.213 7.769 1.00 0.11 H new ATOM 0 HG23 ILE A 48 30.516 25.201 9.532 1.00 0.11 H new ATOM 0 HD11 ILE A 48 33.741 23.692 11.366 1.00 0.10 H new ATOM 0 HD12 ILE A 48 34.063 23.821 9.620 1.00 0.10 H new ATOM 0 HD13 ILE A 48 33.005 25.008 10.420 1.00 0.10 H new ATOM 799 N GLU A 49 30.429 22.371 6.185 1.00 0.11 N ATOM 800 CA GLU A 49 29.985 22.488 4.765 1.00 0.12 C ATOM 801 C GLU A 49 28.536 22.027 4.665 1.00 0.12 C ATOM 802 O GLU A 49 27.651 22.782 4.312 1.00 0.13 O ATOM 803 CB GLU A 49 30.845 21.576 3.898 1.00 0.13 C ATOM 804 CG GLU A 49 32.214 22.219 3.659 1.00 0.15 C ATOM 805 CD GLU A 49 32.999 21.386 2.645 1.00 0.17 C ATOM 806 OE1 GLU A 49 32.876 20.173 2.681 1.00 1.09 O ATOM 807 OE2 GLU A 49 33.712 21.975 1.849 1.00 1.08 O ATOM 0 H GLU A 49 31.326 21.905 6.322 1.00 0.11 H new ATOM 0 HA GLU A 49 30.079 23.521 4.431 1.00 0.12 H new ATOM 0 HB2 GLU A 49 30.968 20.608 4.385 1.00 0.13 H new ATOM 0 HB3 GLU A 49 30.349 21.393 2.945 1.00 0.13 H new ATOM 0 HG2 GLU A 49 32.090 23.237 3.291 1.00 0.15 H new ATOM 0 HG3 GLU A 49 32.766 22.284 4.597 1.00 0.15 H new ATOM 814 N GLU A 50 28.285 20.792 5.005 1.00 0.12 N ATOM 815 CA GLU A 50 26.891 20.283 4.963 1.00 0.13 C ATOM 816 C GLU A 50 26.040 21.245 5.775 1.00 0.12 C ATOM 817 O GLU A 50 24.844 21.337 5.613 1.00 0.12 O ATOM 818 CB GLU A 50 26.830 18.884 5.582 1.00 0.14 C ATOM 819 CG GLU A 50 25.457 18.264 5.314 1.00 0.17 C ATOM 820 CD GLU A 50 25.371 17.823 3.853 1.00 1.15 C ATOM 821 OE1 GLU A 50 26.340 18.019 3.137 1.00 1.74 O ATOM 822 OE2 GLU A 50 24.338 17.296 3.474 1.00 2.03 O ATOM 0 H GLU A 50 28.986 20.117 5.309 1.00 0.12 H new ATOM 0 HA GLU A 50 26.531 20.217 3.936 1.00 0.13 H new ATOM 0 HB2 GLU A 50 27.613 18.254 5.160 1.00 0.14 H new ATOM 0 HB3 GLU A 50 27.011 18.942 6.655 1.00 0.14 H new ATOM 0 HG2 GLU A 50 25.297 17.410 5.972 1.00 0.17 H new ATOM 0 HG3 GLU A 50 24.671 18.987 5.533 1.00 0.17 H new ATOM 829 N GLY A 51 26.677 21.986 6.637 1.00 0.11 N ATOM 830 CA GLY A 51 25.935 22.982 7.464 1.00 0.10 C ATOM 831 C GLY A 51 25.673 24.216 6.603 1.00 0.10 C ATOM 832 O GLY A 51 24.544 24.610 6.386 1.00 0.11 O ATOM 0 H GLY A 51 27.682 21.946 6.806 1.00 0.11 H new ATOM 0 HA2 GLY A 51 24.995 22.558 7.817 1.00 0.10 H new ATOM 0 HA3 GLY A 51 26.515 23.251 8.347 1.00 0.10 H new ATOM 836 N GLN A 52 26.716 24.811 6.089 1.00 0.10 N ATOM 837 CA GLN A 52 26.549 26.007 5.210 1.00 0.12 C ATOM 838 C GLN A 52 25.466 25.709 4.181 1.00 0.12 C ATOM 839 O GLN A 52 24.567 26.496 3.957 1.00 0.13 O ATOM 840 CB GLN A 52 27.874 26.293 4.500 1.00 0.14 C ATOM 841 CG GLN A 52 28.968 26.505 5.550 1.00 0.19 C ATOM 842 CD GLN A 52 28.754 27.849 6.243 1.00 0.42 C ATOM 843 OE1 GLN A 52 27.960 28.655 5.799 1.00 0.95 O ATOM 844 NE2 GLN A 52 29.433 28.129 7.321 1.00 0.39 N ATOM 0 H GLN A 52 27.682 24.519 6.240 1.00 0.10 H new ATOM 0 HA GLN A 52 26.262 26.876 5.802 1.00 0.12 H new ATOM 0 HB2 GLN A 52 28.137 25.462 3.845 1.00 0.14 H new ATOM 0 HB3 GLN A 52 27.780 27.178 3.870 1.00 0.14 H new ATOM 0 HG2 GLN A 52 28.945 25.698 6.283 1.00 0.19 H new ATOM 0 HG3 GLN A 52 29.950 26.479 5.078 1.00 0.19 H new ATOM 0 HE21 GLN A 52 30.099 27.453 7.694 1.00 0.39 H new ATOM 0 HE22 GLN A 52 29.297 29.024 7.791 1.00 0.39 H new ATOM 853 N TYR A 53 25.538 24.566 3.569 1.00 0.12 N ATOM 854 CA TYR A 53 24.500 24.201 2.564 1.00 0.13 C ATOM 855 C TYR A 53 23.123 24.221 3.246 1.00 0.13 C ATOM 856 O TYR A 53 22.181 24.793 2.735 1.00 0.15 O ATOM 857 CB TYR A 53 24.797 22.803 1.984 1.00 0.14 C ATOM 858 CG TYR A 53 23.544 22.223 1.360 1.00 0.15 C ATOM 859 CD1 TYR A 53 22.596 21.604 2.177 1.00 0.16 C ATOM 860 CD2 TYR A 53 23.324 22.319 -0.018 1.00 0.17 C ATOM 861 CE1 TYR A 53 21.426 21.078 1.628 1.00 0.18 C ATOM 862 CE2 TYR A 53 22.149 21.794 -0.575 1.00 0.19 C ATOM 863 CZ TYR A 53 21.199 21.174 0.249 1.00 0.19 C ATOM 864 OH TYR A 53 20.042 20.657 -0.297 1.00 0.22 O ATOM 0 H TYR A 53 26.267 23.868 3.718 1.00 0.12 H new ATOM 0 HA TYR A 53 24.508 24.918 1.743 1.00 0.13 H new ATOM 0 HB2 TYR A 53 25.587 22.871 1.236 1.00 0.14 H new ATOM 0 HB3 TYR A 53 25.160 22.143 2.772 1.00 0.14 H new ATOM 0 HD1 TYR A 53 22.769 21.532 3.241 1.00 0.16 H new ATOM 0 HD2 TYR A 53 24.057 22.796 -0.651 1.00 0.17 H new ATOM 0 HE1 TYR A 53 20.697 20.598 2.265 1.00 0.18 H new ATOM 0 HE2 TYR A 53 21.976 21.867 -1.639 1.00 0.19 H new ATOM 0 HH TYR A 53 20.041 20.808 -1.265 1.00 0.22 H new ATOM 874 N VAL A 54 22.994 23.601 4.390 1.00 0.15 N ATOM 875 CA VAL A 54 21.670 23.597 5.080 1.00 0.14 C ATOM 876 C VAL A 54 21.166 25.035 5.195 1.00 0.14 C ATOM 877 O VAL A 54 20.164 25.404 4.616 1.00 0.15 O ATOM 878 CB VAL A 54 21.796 22.997 6.493 1.00 0.13 C ATOM 879 CG1 VAL A 54 20.435 23.110 7.191 1.00 0.14 C ATOM 880 CG2 VAL A 54 22.229 21.505 6.436 1.00 0.14 C ATOM 0 H VAL A 54 23.741 23.101 4.873 1.00 0.15 H new ATOM 0 HA VAL A 54 20.973 22.992 4.501 1.00 0.14 H new ATOM 0 HB VAL A 54 22.559 23.546 7.044 1.00 0.13 H new ATOM 0 HG11 VAL A 54 20.505 22.690 8.194 1.00 0.14 H new ATOM 0 HG12 VAL A 54 20.146 24.159 7.256 1.00 0.14 H new ATOM 0 HG13 VAL A 54 19.686 22.562 6.619 1.00 0.14 H new ATOM 0 HG21 VAL A 54 22.309 21.110 7.449 1.00 0.14 H new ATOM 0 HG22 VAL A 54 21.487 20.932 5.881 1.00 0.14 H new ATOM 0 HG23 VAL A 54 23.195 21.425 5.938 1.00 0.14 H new ATOM 890 N VAL A 55 21.858 25.846 5.942 1.00 0.15 N ATOM 891 CA VAL A 55 21.433 27.262 6.107 1.00 0.16 C ATOM 892 C VAL A 55 21.285 27.910 4.728 1.00 0.19 C ATOM 893 O VAL A 55 20.242 28.428 4.383 1.00 0.22 O ATOM 894 CB VAL A 55 22.495 28.011 6.916 1.00 0.19 C ATOM 895 CG1 VAL A 55 21.986 29.411 7.260 1.00 0.29 C ATOM 896 CG2 VAL A 55 22.781 27.240 8.207 1.00 0.13 C ATOM 0 H VAL A 55 22.705 25.588 6.448 1.00 0.15 H new ATOM 0 HA VAL A 55 20.478 27.305 6.630 1.00 0.16 H new ATOM 0 HB VAL A 55 23.409 28.095 6.328 1.00 0.19 H new ATOM 0 HG11 VAL A 55 22.744 29.942 7.836 1.00 0.29 H new ATOM 0 HG12 VAL A 55 21.779 29.959 6.341 1.00 0.29 H new ATOM 0 HG13 VAL A 55 21.072 29.331 7.849 1.00 0.29 H new ATOM 0 HG21 VAL A 55 23.537 27.769 8.787 1.00 0.13 H new ATOM 0 HG22 VAL A 55 21.865 27.159 8.793 1.00 0.13 H new ATOM 0 HG23 VAL A 55 23.145 26.242 7.962 1.00 0.13 H new ATOM 906 N ASN A 56 22.323 27.883 3.939 1.00 0.22 N ATOM 907 CA ASN A 56 22.247 28.495 2.581 1.00 0.27 C ATOM 908 C ASN A 56 21.052 27.914 1.819 1.00 0.26 C ATOM 909 O ASN A 56 20.328 28.623 1.148 1.00 0.33 O ATOM 910 CB ASN A 56 23.537 28.193 1.813 1.00 0.35 C ATOM 911 CG ASN A 56 24.723 28.828 2.538 1.00 0.71 C ATOM 912 OD1 ASN A 56 25.851 28.715 2.099 1.00 1.56 O ATOM 913 ND2 ASN A 56 24.515 29.496 3.637 1.00 0.90 N ATOM 0 H ASN A 56 23.222 27.463 4.175 1.00 0.22 H new ATOM 0 HA ASN A 56 22.123 29.574 2.678 1.00 0.27 H new ATOM 0 HB2 ASN A 56 23.681 27.116 1.732 1.00 0.35 H new ATOM 0 HB3 ASN A 56 23.468 28.582 0.797 1.00 0.35 H new ATOM 0 HD21 ASN A 56 25.299 29.924 4.129 1.00 0.90 H new ATOM 0 HD22 ASN A 56 23.568 29.591 4.005 1.00 0.90 H new ATOM 920 N GLU A 57 20.839 26.631 1.917 1.00 0.24 N ATOM 921 CA GLU A 57 19.691 26.008 1.199 1.00 0.26 C ATOM 922 C GLU A 57 18.387 26.390 1.901 1.00 0.25 C ATOM 923 O GLU A 57 17.477 26.924 1.298 1.00 0.32 O ATOM 924 CB GLU A 57 19.848 24.485 1.208 1.00 0.29 C ATOM 925 CG GLU A 57 18.806 23.856 0.280 1.00 0.50 C ATOM 926 CD GLU A 57 19.154 24.183 -1.174 1.00 1.58 C ATOM 927 OE1 GLU A 57 20.208 23.762 -1.619 1.00 2.31 O ATOM 928 OE2 GLU A 57 18.359 24.850 -1.816 1.00 2.37 O ATOM 0 H GLU A 57 21.410 25.986 2.463 1.00 0.24 H new ATOM 0 HA GLU A 57 19.669 26.364 0.169 1.00 0.26 H new ATOM 0 HB2 GLU A 57 20.852 24.211 0.883 1.00 0.29 H new ATOM 0 HB3 GLU A 57 19.725 24.103 2.221 1.00 0.29 H new ATOM 0 HG2 GLU A 57 18.779 22.776 0.425 1.00 0.50 H new ATOM 0 HG3 GLU A 57 17.813 24.235 0.521 1.00 0.50 H new ATOM 1388 N VAL B 8 12.305 22.838 12.860 1.00 0.33 N ATOM 1389 CA VAL B 8 12.548 22.920 14.330 1.00 0.39 C ATOM 1390 C VAL B 8 14.054 22.941 14.607 1.00 0.36 C ATOM 1391 O VAL B 8 14.541 23.750 15.371 1.00 0.48 O ATOM 1392 CB VAL B 8 11.921 21.708 15.022 1.00 0.50 C ATOM 1393 CG1 VAL B 8 11.836 21.970 16.527 1.00 0.98 C ATOM 1394 CG2 VAL B 8 10.515 21.472 14.466 1.00 1.19 C ATOM 0 HA VAL B 8 12.097 23.834 14.716 1.00 0.39 H new ATOM 0 HB VAL B 8 12.536 20.827 14.839 1.00 0.50 H new ATOM 0 HG11 VAL B 8 11.389 21.108 17.022 1.00 0.98 H new ATOM 0 HG12 VAL B 8 12.837 22.138 16.924 1.00 0.98 H new ATOM 0 HG13 VAL B 8 11.221 22.851 16.709 1.00 0.98 H new ATOM 0 HG21 VAL B 8 10.069 20.608 14.959 1.00 1.19 H new ATOM 0 HG22 VAL B 8 9.899 22.353 14.649 1.00 1.19 H new ATOM 0 HG23 VAL B 8 10.574 21.287 13.394 1.00 1.19 H new ATOM 1404 N PHE B 9 14.799 22.060 13.993 1.00 0.28 N ATOM 1405 CA PHE B 9 16.272 22.037 14.227 1.00 0.27 C ATOM 1406 C PHE B 9 16.826 23.459 14.099 1.00 0.25 C ATOM 1407 O PHE B 9 17.597 23.910 14.922 1.00 0.32 O ATOM 1408 CB PHE B 9 16.940 21.124 13.192 1.00 0.26 C ATOM 1409 CG PHE B 9 18.324 20.750 13.665 1.00 0.21 C ATOM 1410 CD1 PHE B 9 18.494 19.702 14.577 1.00 0.18 C ATOM 1411 CD2 PHE B 9 19.437 21.455 13.196 1.00 0.23 C ATOM 1412 CE1 PHE B 9 19.778 19.364 15.020 1.00 0.18 C ATOM 1413 CE2 PHE B 9 20.718 21.113 13.638 1.00 0.23 C ATOM 1414 CZ PHE B 9 20.888 20.071 14.549 1.00 0.20 C ATOM 0 H PHE B 9 14.452 21.357 13.341 1.00 0.28 H new ATOM 0 HA PHE B 9 16.480 21.656 15.227 1.00 0.27 H new ATOM 0 HB2 PHE B 9 16.340 20.226 13.044 1.00 0.26 H new ATOM 0 HB3 PHE B 9 16.999 21.631 12.229 1.00 0.26 H new ATOM 0 HD1 PHE B 9 17.636 19.155 14.938 1.00 0.18 H new ATOM 0 HD2 PHE B 9 19.307 22.264 12.492 1.00 0.23 H new ATOM 0 HE1 PHE B 9 19.911 18.557 15.726 1.00 0.18 H new ATOM 0 HE2 PHE B 9 21.577 21.656 13.274 1.00 0.23 H new ATOM 0 HZ PHE B 9 21.879 19.810 14.891 1.00 0.20 H new ATOM 1424 N LEU B 10 16.428 24.173 13.082 1.00 0.23 N ATOM 1425 CA LEU B 10 16.924 25.567 12.919 1.00 0.23 C ATOM 1426 C LEU B 10 16.368 26.422 14.058 1.00 0.24 C ATOM 1427 O LEU B 10 17.014 27.330 14.541 1.00 0.28 O ATOM 1428 CB LEU B 10 16.450 26.132 11.577 1.00 0.25 C ATOM 1429 CG LEU B 10 16.714 25.117 10.461 1.00 0.24 C ATOM 1430 CD1 LEU B 10 16.411 25.763 9.111 1.00 0.30 C ATOM 1431 CD2 LEU B 10 18.181 24.678 10.493 1.00 0.23 C ATOM 0 H LEU B 10 15.783 23.852 12.360 1.00 0.23 H new ATOM 0 HA LEU B 10 18.014 25.576 12.943 1.00 0.23 H new ATOM 0 HB2 LEU B 10 15.386 26.363 11.626 1.00 0.25 H new ATOM 0 HB3 LEU B 10 16.970 27.066 11.362 1.00 0.25 H new ATOM 0 HG LEU B 10 16.075 24.246 10.608 1.00 0.24 H new ATOM 0 HD11 LEU B 10 16.598 25.044 8.313 1.00 0.30 H new ATOM 0 HD12 LEU B 10 15.367 26.074 9.082 1.00 0.30 H new ATOM 0 HD13 LEU B 10 17.052 26.633 8.972 1.00 0.30 H new ATOM 0 HD21 LEU B 10 18.362 23.956 9.697 1.00 0.23 H new ATOM 0 HD22 LEU B 10 18.824 25.546 10.349 1.00 0.23 H new ATOM 0 HD23 LEU B 10 18.402 24.219 11.456 1.00 0.23 H new ATOM 1443 N ASP B 11 15.174 26.129 14.496 1.00 0.23 N ATOM 1444 CA ASP B 11 14.576 26.916 15.611 1.00 0.25 C ATOM 1445 C ASP B 11 15.521 26.871 16.811 1.00 0.22 C ATOM 1446 O ASP B 11 15.989 27.887 17.285 1.00 0.30 O ATOM 1447 CB ASP B 11 13.222 26.311 16.001 1.00 0.30 C ATOM 1448 CG ASP B 11 12.439 27.316 16.847 1.00 0.97 C ATOM 1449 OD1 ASP B 11 12.957 27.729 17.872 1.00 1.67 O ATOM 1450 OD2 ASP B 11 11.335 27.657 16.456 1.00 1.67 O ATOM 0 H ASP B 11 14.587 25.379 14.130 1.00 0.23 H new ATOM 0 HA ASP B 11 14.428 27.949 15.295 1.00 0.25 H new ATOM 0 HB2 ASP B 11 12.655 26.053 15.106 1.00 0.30 H new ATOM 0 HB3 ASP B 11 13.372 25.387 16.560 1.00 0.30 H new ATOM 1455 N TYR B 12 15.810 25.696 17.304 1.00 0.17 N ATOM 1456 CA TYR B 12 16.729 25.582 18.470 1.00 0.15 C ATOM 1457 C TYR B 12 17.986 26.413 18.204 1.00 0.16 C ATOM 1458 O TYR B 12 18.348 27.278 18.976 1.00 0.23 O ATOM 1459 CB TYR B 12 17.116 24.112 18.673 1.00 0.14 C ATOM 1460 CG TYR B 12 15.914 23.321 19.155 1.00 0.17 C ATOM 1461 CD1 TYR B 12 15.307 23.637 20.377 1.00 0.23 C ATOM 1462 CD2 TYR B 12 15.407 22.268 18.380 1.00 0.20 C ATOM 1463 CE1 TYR B 12 14.201 22.904 20.823 1.00 0.27 C ATOM 1464 CE2 TYR B 12 14.300 21.537 18.826 1.00 0.24 C ATOM 1465 CZ TYR B 12 13.697 21.855 20.048 1.00 0.27 C ATOM 1466 OH TYR B 12 12.607 21.133 20.488 1.00 0.32 O ATOM 0 H TYR B 12 15.448 24.811 16.948 1.00 0.17 H new ATOM 0 HA TYR B 12 16.232 25.951 19.367 1.00 0.15 H new ATOM 0 HB2 TYR B 12 17.487 23.692 17.738 1.00 0.14 H new ATOM 0 HB3 TYR B 12 17.926 24.037 19.399 1.00 0.14 H new ATOM 0 HD1 TYR B 12 15.693 24.448 20.977 1.00 0.23 H new ATOM 0 HD2 TYR B 12 15.872 22.021 17.437 1.00 0.20 H new ATOM 0 HE1 TYR B 12 13.736 23.149 21.767 1.00 0.27 H new ATOM 0 HE2 TYR B 12 13.911 20.727 18.227 1.00 0.24 H new ATOM 0 HH TYR B 12 12.385 20.442 19.830 1.00 0.32 H new ATOM 1476 N CYS B 13 18.646 26.160 17.109 1.00 0.19 N ATOM 1477 CA CYS B 13 19.876 26.933 16.772 1.00 0.24 C ATOM 1478 C CYS B 13 19.614 28.423 16.988 1.00 0.26 C ATOM 1479 O CYS B 13 20.436 29.138 17.528 1.00 0.33 O ATOM 1480 CB CYS B 13 20.239 26.680 15.306 1.00 0.30 C ATOM 1481 SG CYS B 13 21.077 25.085 15.157 1.00 1.27 S ATOM 0 H CYS B 13 18.385 25.447 16.428 1.00 0.19 H new ATOM 0 HA CYS B 13 20.700 26.617 17.412 1.00 0.24 H new ATOM 0 HB2 CYS B 13 19.339 26.688 14.691 1.00 0.30 H new ATOM 0 HB3 CYS B 13 20.884 27.477 14.938 1.00 0.30 H new ATOM 0 HG CYS B 13 22.136 25.079 15.912 1.00 1.27 H new ATOM 1487 N GLN B 14 18.472 28.894 16.574 1.00 0.24 N ATOM 1488 CA GLN B 14 18.145 30.335 16.756 1.00 0.27 C ATOM 1489 C GLN B 14 18.479 30.751 18.198 1.00 0.24 C ATOM 1490 O GLN B 14 19.108 31.763 18.432 1.00 0.29 O ATOM 1491 CB GLN B 14 16.643 30.545 16.467 1.00 0.32 C ATOM 1492 CG GLN B 14 16.412 31.913 15.814 1.00 0.62 C ATOM 1493 CD GLN B 14 16.881 33.017 16.761 1.00 0.88 C ATOM 1494 OE1 GLN B 14 16.902 32.835 17.961 1.00 1.69 O ATOM 1495 NE2 GLN B 14 17.259 34.164 16.267 1.00 1.44 N ATOM 0 H GLN B 14 17.748 28.341 16.116 1.00 0.24 H new ATOM 0 HA GLN B 14 18.730 30.948 16.070 1.00 0.27 H new ATOM 0 HB2 GLN B 14 16.278 29.755 15.810 1.00 0.32 H new ATOM 0 HB3 GLN B 14 16.074 30.477 17.394 1.00 0.32 H new ATOM 0 HG2 GLN B 14 16.955 31.974 14.871 1.00 0.62 H new ATOM 0 HG3 GLN B 14 15.355 32.043 15.582 1.00 0.62 H new ATOM 0 HE21 GLN B 14 17.241 34.316 15.259 1.00 1.44 H new ATOM 0 HE22 GLN B 14 17.573 34.909 16.889 1.00 1.44 H new ATOM 1504 N LYS B 15 18.071 29.969 19.161 1.00 0.23 N ATOM 1505 CA LYS B 15 18.372 30.309 20.583 1.00 0.23 C ATOM 1506 C LYS B 15 19.887 30.381 20.774 1.00 0.20 C ATOM 1507 O LYS B 15 20.434 31.394 21.163 1.00 0.23 O ATOM 1508 CB LYS B 15 17.823 29.209 21.489 1.00 0.24 C ATOM 1509 CG LYS B 15 16.295 29.268 21.525 1.00 0.55 C ATOM 1510 CD LYS B 15 15.746 27.946 22.079 1.00 1.19 C ATOM 1511 CE LYS B 15 14.311 28.145 22.563 1.00 1.47 C ATOM 1512 NZ LYS B 15 13.507 28.793 21.489 1.00 2.21 N ATOM 0 H LYS B 15 17.541 29.108 19.025 1.00 0.23 H new ATOM 0 HA LYS B 15 17.915 31.267 20.832 1.00 0.23 H new ATOM 0 HB2 LYS B 15 18.148 28.234 21.127 1.00 0.24 H new ATOM 0 HB3 LYS B 15 18.223 29.324 22.497 1.00 0.24 H new ATOM 0 HG2 LYS B 15 15.967 30.100 22.148 1.00 0.55 H new ATOM 0 HG3 LYS B 15 15.903 29.446 20.523 1.00 0.55 H new ATOM 0 HD2 LYS B 15 15.776 27.177 21.307 1.00 1.19 H new ATOM 0 HD3 LYS B 15 16.372 27.597 22.901 1.00 1.19 H new ATOM 0 HE2 LYS B 15 13.871 27.185 22.832 1.00 1.47 H new ATOM 0 HE3 LYS B 15 14.302 28.763 23.461 1.00 1.47 H new ATOM 0 HZ1 LYS B 15 12.496 28.613 21.655 1.00 2.21 H new ATOM 0 HZ2 LYS B 15 13.681 29.818 21.495 1.00 2.21 H new ATOM 0 HZ3 LYS B 15 13.781 28.401 20.566 1.00 2.21 H new ATOM 1526 N LEU B 16 20.562 29.300 20.500 1.00 0.18 N ATOM 1527 CA LEU B 16 22.044 29.265 20.653 1.00 0.17 C ATOM 1528 C LEU B 16 22.647 30.500 19.965 1.00 0.18 C ATOM 1529 O LEU B 16 23.734 30.935 20.286 1.00 0.23 O ATOM 1530 CB LEU B 16 22.564 27.957 19.996 1.00 0.15 C ATOM 1531 CG LEU B 16 23.464 27.159 20.958 1.00 0.15 C ATOM 1532 CD1 LEU B 16 22.608 26.474 22.026 1.00 0.25 C ATOM 1533 CD2 LEU B 16 24.234 26.092 20.171 1.00 0.18 C ATOM 0 H LEU B 16 20.145 28.429 20.173 1.00 0.18 H new ATOM 0 HA LEU B 16 22.333 29.281 21.704 1.00 0.17 H new ATOM 0 HB2 LEU B 16 21.718 27.340 19.692 1.00 0.15 H new ATOM 0 HB3 LEU B 16 23.122 28.200 19.092 1.00 0.15 H new ATOM 0 HG LEU B 16 24.164 27.842 21.439 1.00 0.15 H new ATOM 0 HD11 LEU B 16 23.252 25.912 22.703 1.00 0.25 H new ATOM 0 HD12 LEU B 16 22.059 27.227 22.590 1.00 0.25 H new ATOM 0 HD13 LEU B 16 21.903 25.794 21.547 1.00 0.25 H new ATOM 0 HD21 LEU B 16 24.871 25.527 20.851 1.00 0.18 H new ATOM 0 HD22 LEU B 16 23.528 25.416 19.689 1.00 0.18 H new ATOM 0 HD23 LEU B 16 24.851 26.574 19.412 1.00 0.18 H new ATOM 1545 N LEU B 17 21.948 31.056 19.015 1.00 0.17 N ATOM 1546 CA LEU B 17 22.470 32.253 18.293 1.00 0.19 C ATOM 1547 C LEU B 17 22.143 33.532 19.083 1.00 0.22 C ATOM 1548 O LEU B 17 22.941 34.445 19.160 1.00 0.30 O ATOM 1549 CB LEU B 17 21.816 32.298 16.896 1.00 0.19 C ATOM 1550 CG LEU B 17 22.787 32.874 15.844 1.00 0.22 C ATOM 1551 CD1 LEU B 17 23.831 31.818 15.431 1.00 0.14 C ATOM 1552 CD2 LEU B 17 21.991 33.310 14.600 1.00 0.33 C ATOM 0 H LEU B 17 21.032 30.732 18.705 1.00 0.17 H new ATOM 0 HA LEU B 17 23.553 32.189 18.192 1.00 0.19 H new ATOM 0 HB2 LEU B 17 21.511 31.294 16.602 1.00 0.19 H new ATOM 0 HB3 LEU B 17 20.913 32.907 16.934 1.00 0.19 H new ATOM 0 HG LEU B 17 23.304 33.729 16.279 1.00 0.22 H new ATOM 0 HD11 LEU B 17 24.506 32.244 14.689 1.00 0.14 H new ATOM 0 HD12 LEU B 17 24.403 31.510 16.306 1.00 0.14 H new ATOM 0 HD13 LEU B 17 23.324 30.952 15.005 1.00 0.14 H new ATOM 0 HD21 LEU B 17 22.675 33.717 13.855 1.00 0.33 H new ATOM 0 HD22 LEU B 17 21.469 32.449 14.182 1.00 0.33 H new ATOM 0 HD23 LEU B 17 21.265 34.073 14.882 1.00 0.33 H new ATOM 1564 N GLU B 18 20.975 33.605 19.662 1.00 0.20 N ATOM 1565 CA GLU B 18 20.597 34.825 20.437 1.00 0.24 C ATOM 1566 C GLU B 18 21.331 34.841 21.771 1.00 0.22 C ATOM 1567 O GLU B 18 22.024 35.780 22.104 1.00 0.26 O ATOM 1568 CB GLU B 18 19.096 34.809 20.719 1.00 0.30 C ATOM 1569 CG GLU B 18 18.324 34.769 19.404 1.00 1.05 C ATOM 1570 CD GLU B 18 18.322 36.160 18.763 1.00 1.67 C ATOM 1571 OE1 GLU B 18 19.341 36.535 18.206 1.00 2.29 O ATOM 1572 OE2 GLU B 18 17.303 36.825 18.842 1.00 2.17 O ATOM 0 H GLU B 18 20.265 32.873 19.633 1.00 0.20 H new ATOM 0 HA GLU B 18 20.864 35.705 19.853 1.00 0.24 H new ATOM 0 HB2 GLU B 18 18.840 33.942 21.328 1.00 0.30 H new ATOM 0 HB3 GLU B 18 18.814 35.694 21.290 1.00 0.30 H new ATOM 0 HG2 GLU B 18 18.779 34.047 18.726 1.00 1.05 H new ATOM 0 HG3 GLU B 18 17.301 34.439 19.582 1.00 1.05 H new ATOM 1579 N LYS B 19 21.166 33.809 22.545 1.00 0.19 N ATOM 1580 CA LYS B 19 21.828 33.750 23.868 1.00 0.20 C ATOM 1581 C LYS B 19 23.296 34.161 23.736 1.00 0.19 C ATOM 1582 O LYS B 19 23.770 35.029 24.441 1.00 0.26 O ATOM 1583 CB LYS B 19 21.725 32.319 24.389 1.00 0.21 C ATOM 1584 CG LYS B 19 20.313 32.065 24.926 1.00 0.29 C ATOM 1585 CD LYS B 19 20.184 30.599 25.339 1.00 0.33 C ATOM 1586 CE LYS B 19 18.722 30.285 25.663 1.00 0.95 C ATOM 1587 NZ LYS B 19 18.118 31.430 26.401 1.00 1.68 N ATOM 0 H LYS B 19 20.594 32.997 22.313 1.00 0.19 H new ATOM 0 HA LYS B 19 21.344 34.435 24.564 1.00 0.20 H new ATOM 0 HB2 LYS B 19 21.953 31.614 23.590 1.00 0.21 H new ATOM 0 HB3 LYS B 19 22.459 32.155 25.178 1.00 0.21 H new ATOM 0 HG2 LYS B 19 20.114 32.714 25.779 1.00 0.29 H new ATOM 0 HG3 LYS B 19 19.573 32.306 24.163 1.00 0.29 H new ATOM 0 HD2 LYS B 19 20.536 29.952 24.536 1.00 0.33 H new ATOM 0 HD3 LYS B 19 20.811 30.399 26.208 1.00 0.33 H new ATOM 0 HE2 LYS B 19 18.167 30.098 24.744 1.00 0.95 H new ATOM 0 HE3 LYS B 19 18.659 29.378 26.264 1.00 0.95 H new ATOM 0 HZ1 LYS B 19 17.251 31.115 26.881 1.00 1.68 H new ATOM 0 HZ2 LYS B 19 18.795 31.785 27.106 1.00 1.68 H new ATOM 0 HZ3 LYS B 19 17.886 32.191 25.731 1.00 1.68 H new ATOM 1601 N PHE B 20 24.016 33.562 22.833 1.00 0.15 N ATOM 1602 CA PHE B 20 25.440 33.937 22.656 1.00 0.15 C ATOM 1603 C PHE B 20 25.503 35.220 21.826 1.00 0.16 C ATOM 1604 O PHE B 20 26.564 35.708 21.489 1.00 0.25 O ATOM 1605 CB PHE B 20 26.159 32.814 21.919 1.00 0.14 C ATOM 1606 CG PHE B 20 26.291 31.609 22.824 1.00 0.13 C ATOM 1607 CD1 PHE B 20 25.177 30.790 23.046 1.00 0.14 C ATOM 1608 CD2 PHE B 20 27.519 31.302 23.435 1.00 0.14 C ATOM 1609 CE1 PHE B 20 25.284 29.669 23.874 1.00 0.14 C ATOM 1610 CE2 PHE B 20 27.623 30.176 24.262 1.00 0.15 C ATOM 1611 CZ PHE B 20 26.505 29.361 24.481 1.00 0.14 C ATOM 0 H PHE B 20 23.678 32.828 22.210 1.00 0.15 H new ATOM 0 HA PHE B 20 25.917 34.098 23.623 1.00 0.15 H new ATOM 0 HB2 PHE B 20 25.606 32.545 21.019 1.00 0.14 H new ATOM 0 HB3 PHE B 20 27.145 33.150 21.599 1.00 0.14 H new ATOM 0 HD1 PHE B 20 24.233 31.025 22.576 1.00 0.14 H new ATOM 0 HD2 PHE B 20 28.380 31.932 23.267 1.00 0.14 H new ATOM 0 HE1 PHE B 20 24.423 29.040 24.045 1.00 0.14 H new ATOM 0 HE2 PHE B 20 28.566 29.936 24.731 1.00 0.15 H new ATOM 0 HZ PHE B 20 26.586 28.494 25.119 1.00 0.14 H new ATOM 1621 N ARG B 21 24.363 35.770 21.501 1.00 0.15 N ATOM 1622 CA ARG B 21 24.329 37.027 20.698 1.00 0.17 C ATOM 1623 C ARG B 21 25.207 36.887 19.448 1.00 0.14 C ATOM 1624 O ARG B 21 25.922 37.800 19.085 1.00 0.18 O ATOM 1625 CB ARG B 21 24.852 38.188 21.550 1.00 0.23 C ATOM 1626 CG ARG B 21 23.814 38.567 22.621 1.00 0.58 C ATOM 1627 CD ARG B 21 22.660 39.388 22.012 1.00 1.16 C ATOM 1628 NE ARG B 21 21.605 38.468 21.501 1.00 1.87 N ATOM 1629 CZ ARG B 21 20.413 38.927 21.235 1.00 2.62 C ATOM 1630 NH1 ARG B 21 20.143 40.190 21.425 1.00 2.94 N ATOM 1631 NH2 ARG B 21 19.490 38.124 20.780 1.00 3.56 N ATOM 0 H ARG B 21 23.448 35.400 21.759 1.00 0.15 H new ATOM 0 HA ARG B 21 23.301 37.220 20.391 1.00 0.17 H new ATOM 0 HB2 ARG B 21 25.791 37.906 22.026 1.00 0.23 H new ATOM 0 HB3 ARG B 21 25.063 39.049 20.916 1.00 0.23 H new ATOM 0 HG2 ARG B 21 23.417 37.663 23.082 1.00 0.58 H new ATOM 0 HG3 ARG B 21 24.296 39.143 23.411 1.00 0.58 H new ATOM 0 HD2 ARG B 21 22.240 40.057 22.764 1.00 1.16 H new ATOM 0 HD3 ARG B 21 23.034 40.014 21.202 1.00 1.16 H new ATOM 0 HE ARG B 21 21.815 37.480 21.359 1.00 1.87 H new ATOM 0 HH11 ARG B 21 20.864 40.818 21.781 1.00 2.94 H new ATOM 0 HH12 ARG B 21 19.211 40.549 21.217 1.00 2.94 H new ATOM 0 HH21 ARG B 21 19.700 37.137 20.632 1.00 3.56 H new ATOM 0 HH22 ARG B 21 18.558 38.484 20.572 1.00 3.56 H new ATOM 1645 N TYR B 22 25.165 35.761 18.780 1.00 0.14 N ATOM 1646 CA TYR B 22 26.006 35.598 17.556 1.00 0.13 C ATOM 1647 C TYR B 22 25.275 36.238 16.348 1.00 0.15 C ATOM 1648 O TYR B 22 24.061 36.234 16.315 1.00 0.16 O ATOM 1649 CB TYR B 22 26.208 34.097 17.265 1.00 0.12 C ATOM 1650 CG TYR B 22 27.346 33.508 18.094 1.00 0.13 C ATOM 1651 CD1 TYR B 22 28.635 34.077 18.071 1.00 0.14 C ATOM 1652 CD2 TYR B 22 27.108 32.371 18.882 1.00 0.14 C ATOM 1653 CE1 TYR B 22 29.665 33.510 18.832 1.00 0.17 C ATOM 1654 CE2 TYR B 22 28.142 31.809 19.640 1.00 0.17 C ATOM 1655 CZ TYR B 22 29.419 32.379 19.615 1.00 0.18 C ATOM 1656 OH TYR B 22 30.437 31.823 20.362 1.00 0.21 O ATOM 0 H TYR B 22 24.590 34.955 19.027 1.00 0.14 H new ATOM 0 HA TYR B 22 26.971 36.080 17.715 1.00 0.13 H new ATOM 0 HB2 TYR B 22 25.285 33.558 17.479 1.00 0.12 H new ATOM 0 HB3 TYR B 22 26.420 33.957 16.205 1.00 0.12 H new ATOM 0 HD1 TYR B 22 28.829 34.951 17.466 1.00 0.14 H new ATOM 0 HD2 TYR B 22 26.123 31.928 18.904 1.00 0.14 H new ATOM 0 HE1 TYR B 22 30.652 33.948 18.814 1.00 0.17 H new ATOM 0 HE2 TYR B 22 27.953 30.934 20.245 1.00 0.17 H new ATOM 0 HH TYR B 22 30.478 30.859 20.193 1.00 0.21 H new ATOM 1666 N PRO B 23 26.017 36.743 15.371 1.00 0.16 N ATOM 1667 CA PRO B 23 25.400 37.337 14.168 1.00 0.18 C ATOM 1668 C PRO B 23 24.523 36.288 13.461 1.00 0.19 C ATOM 1669 O PRO B 23 24.449 35.146 13.869 1.00 0.19 O ATOM 1670 CB PRO B 23 26.587 37.771 13.276 1.00 0.19 C ATOM 1671 CG PRO B 23 27.894 37.344 14.000 1.00 0.17 C ATOM 1672 CD PRO B 23 27.495 36.774 15.380 1.00 0.15 C ATOM 0 HA PRO B 23 24.752 38.182 14.401 1.00 0.18 H new ATOM 0 HB2 PRO B 23 26.521 37.301 12.295 1.00 0.19 H new ATOM 0 HB3 PRO B 23 26.572 38.849 13.115 1.00 0.19 H new ATOM 0 HG2 PRO B 23 28.429 36.595 13.416 1.00 0.17 H new ATOM 0 HG3 PRO B 23 28.564 38.196 14.116 1.00 0.17 H new ATOM 0 HD2 PRO B 23 27.909 35.777 15.529 1.00 0.15 H new ATOM 0 HD3 PRO B 23 27.871 37.400 16.189 1.00 0.15 H new ATOM 1680 N TRP B 24 23.849 36.679 12.414 1.00 0.22 N ATOM 1681 CA TRP B 24 22.960 35.724 11.683 1.00 0.24 C ATOM 1682 C TRP B 24 23.769 34.824 10.731 1.00 0.25 C ATOM 1683 O TRP B 24 23.263 33.838 10.233 1.00 0.34 O ATOM 1684 CB TRP B 24 21.928 36.522 10.873 1.00 0.28 C ATOM 1685 CG TRP B 24 21.152 35.598 9.984 1.00 0.53 C ATOM 1686 CD1 TRP B 24 21.162 35.633 8.631 1.00 1.45 C ATOM 1687 CD2 TRP B 24 20.261 34.507 10.358 1.00 0.35 C ATOM 1688 NE1 TRP B 24 20.333 34.633 8.152 1.00 1.68 N ATOM 1689 CE2 TRP B 24 19.755 33.913 9.178 1.00 0.93 C ATOM 1690 CE3 TRP B 24 19.846 33.981 11.595 1.00 0.96 C ATOM 1691 CZ2 TRP B 24 18.871 32.834 9.223 1.00 0.85 C ATOM 1692 CZ3 TRP B 24 18.956 32.896 11.644 1.00 1.15 C ATOM 1693 CH2 TRP B 24 18.469 32.324 10.460 1.00 0.63 C ATOM 0 H TRP B 24 23.874 37.623 12.030 1.00 0.22 H new ATOM 0 HA TRP B 24 22.462 35.086 12.413 1.00 0.24 H new ATOM 0 HB2 TRP B 24 21.251 37.046 11.547 1.00 0.28 H new ATOM 0 HB3 TRP B 24 22.431 37.280 10.273 1.00 0.28 H new ATOM 0 HD1 TRP B 24 21.725 36.327 8.024 1.00 1.45 H new ATOM 0 HE1 TRP B 24 20.169 34.451 7.162 1.00 1.68 H new ATOM 0 HE3 TRP B 24 20.214 34.415 12.513 1.00 0.96 H new ATOM 0 HZ2 TRP B 24 18.500 32.396 8.308 1.00 0.85 H new ATOM 0 HZ3 TRP B 24 18.645 32.500 12.599 1.00 1.15 H new ATOM 0 HH2 TRP B 24 17.784 31.490 10.504 1.00 0.63 H new ATOM 1704 N GLU B 25 24.997 35.160 10.442 1.00 0.21 N ATOM 1705 CA GLU B 25 25.789 34.321 9.486 1.00 0.24 C ATOM 1706 C GLU B 25 26.377 33.078 10.177 1.00 0.21 C ATOM 1707 O GLU B 25 26.841 32.169 9.518 1.00 0.24 O ATOM 1708 CB GLU B 25 26.924 35.167 8.883 1.00 0.31 C ATOM 1709 CG GLU B 25 27.458 36.141 9.937 1.00 1.20 C ATOM 1710 CD GLU B 25 28.839 36.651 9.515 1.00 1.43 C ATOM 1711 OE1 GLU B 25 28.898 37.444 8.589 1.00 1.99 O ATOM 1712 OE2 GLU B 25 29.812 36.241 10.125 1.00 1.86 O ATOM 0 H GLU B 25 25.486 35.971 10.821 1.00 0.21 H new ATOM 0 HA GLU B 25 25.119 33.978 8.698 1.00 0.24 H new ATOM 0 HB2 GLU B 25 27.727 34.519 8.533 1.00 0.31 H new ATOM 0 HB3 GLU B 25 26.559 35.718 8.016 1.00 0.31 H new ATOM 0 HG2 GLU B 25 26.770 36.979 10.054 1.00 1.20 H new ATOM 0 HG3 GLU B 25 27.523 35.645 10.905 1.00 1.20 H new ATOM 1719 N LEU B 26 26.382 33.019 11.483 1.00 0.16 N ATOM 1720 CA LEU B 26 26.967 31.817 12.163 1.00 0.15 C ATOM 1721 C LEU B 26 25.904 30.735 12.367 1.00 0.15 C ATOM 1722 O LEU B 26 25.992 29.944 13.282 1.00 0.19 O ATOM 1723 CB LEU B 26 27.536 32.212 13.527 1.00 0.13 C ATOM 1724 CG LEU B 26 28.407 33.468 13.406 1.00 0.13 C ATOM 1725 CD1 LEU B 26 29.221 33.631 14.688 1.00 0.14 C ATOM 1726 CD2 LEU B 26 29.366 33.342 12.213 1.00 0.14 C ATOM 0 H LEU B 26 26.013 33.739 12.104 1.00 0.16 H new ATOM 0 HA LEU B 26 27.760 31.424 11.527 1.00 0.15 H new ATOM 0 HB2 LEU B 26 26.721 32.394 14.228 1.00 0.13 H new ATOM 0 HB3 LEU B 26 28.127 31.391 13.932 1.00 0.13 H new ATOM 0 HG LEU B 26 27.764 34.335 13.252 1.00 0.13 H new ATOM 0 HD11 LEU B 26 29.844 34.522 14.612 1.00 0.14 H new ATOM 0 HD12 LEU B 26 28.546 33.732 15.538 1.00 0.14 H new ATOM 0 HD13 LEU B 26 29.855 32.756 14.830 1.00 0.14 H new ATOM 0 HD21 LEU B 26 29.977 34.242 12.141 1.00 0.14 H new ATOM 0 HD22 LEU B 26 30.011 32.475 12.355 1.00 0.14 H new ATOM 0 HD23 LEU B 26 28.791 33.220 11.295 1.00 0.14 H new ATOM 1738 N MET B 27 24.909 30.675 11.530 1.00 0.15 N ATOM 1739 CA MET B 27 23.874 29.625 11.705 1.00 0.17 C ATOM 1740 C MET B 27 24.454 28.220 11.381 1.00 0.14 C ATOM 1741 O MET B 27 24.134 27.276 12.076 1.00 0.19 O ATOM 1742 CB MET B 27 22.654 29.948 10.809 1.00 0.20 C ATOM 1743 CG MET B 27 21.594 30.710 11.613 1.00 0.39 C ATOM 1744 SD MET B 27 20.873 29.610 12.855 1.00 1.31 S ATOM 1745 CE MET B 27 19.610 28.869 11.794 1.00 0.45 C ATOM 0 H MET B 27 24.769 31.303 10.738 1.00 0.15 H new ATOM 0 HA MET B 27 23.550 29.611 12.746 1.00 0.17 H new ATOM 0 HB2 MET B 27 22.970 30.544 9.953 1.00 0.20 H new ATOM 0 HB3 MET B 27 22.228 29.025 10.415 1.00 0.20 H new ATOM 0 HG2 MET B 27 22.043 31.577 12.097 1.00 0.39 H new ATOM 0 HG3 MET B 27 20.816 31.084 10.947 1.00 0.39 H new ATOM 0 HE1 MET B 27 19.483 27.819 12.058 1.00 0.45 H new ATOM 0 HE2 MET B 27 18.665 29.394 11.932 1.00 0.45 H new ATOM 0 HE3 MET B 27 19.919 28.946 10.752 1.00 0.45 H new ATOM 1755 N PRO B 28 25.280 28.094 10.351 1.00 0.09 N ATOM 1756 CA PRO B 28 25.862 26.780 9.990 1.00 0.09 C ATOM 1757 C PRO B 28 26.657 26.186 11.163 1.00 0.09 C ATOM 1758 O PRO B 28 26.812 24.988 11.266 1.00 0.14 O ATOM 1759 CB PRO B 28 26.771 27.073 8.775 1.00 0.10 C ATOM 1760 CG PRO B 28 26.427 28.508 8.298 1.00 0.12 C ATOM 1761 CD PRO B 28 25.698 29.202 9.462 1.00 0.12 C ATOM 0 HA PRO B 28 25.097 26.040 9.753 1.00 0.09 H new ATOM 0 HB2 PRO B 28 27.823 26.999 9.051 1.00 0.10 H new ATOM 0 HB3 PRO B 28 26.599 26.349 7.979 1.00 0.10 H new ATOM 0 HG2 PRO B 28 27.332 29.053 8.029 1.00 0.12 H new ATOM 0 HG3 PRO B 28 25.796 28.479 7.409 1.00 0.12 H new ATOM 0 HD2 PRO B 28 26.354 29.901 9.981 1.00 0.12 H new ATOM 0 HD3 PRO B 28 24.839 29.773 9.109 1.00 0.12 H new ATOM 1769 N LEU B 29 27.161 27.001 12.047 1.00 0.10 N ATOM 1770 CA LEU B 29 27.930 26.447 13.198 1.00 0.09 C ATOM 1771 C LEU B 29 26.946 25.972 14.265 1.00 0.10 C ATOM 1772 O LEU B 29 27.012 24.850 14.725 1.00 0.16 O ATOM 1773 CB LEU B 29 28.853 27.521 13.773 1.00 0.08 C ATOM 1774 CG LEU B 29 29.613 28.199 12.630 1.00 0.09 C ATOM 1775 CD1 LEU B 29 30.628 29.185 13.211 1.00 0.12 C ATOM 1776 CD2 LEU B 29 30.341 27.134 11.793 1.00 0.09 C ATOM 0 H LEU B 29 27.076 28.017 12.024 1.00 0.10 H new ATOM 0 HA LEU B 29 28.541 25.608 12.865 1.00 0.09 H new ATOM 0 HB2 LEU B 29 28.272 28.258 14.326 1.00 0.08 H new ATOM 0 HB3 LEU B 29 29.555 27.075 14.477 1.00 0.08 H new ATOM 0 HG LEU B 29 28.911 28.737 11.992 1.00 0.09 H new ATOM 0 HD11 LEU B 29 31.171 29.669 12.399 1.00 0.12 H new ATOM 0 HD12 LEU B 29 30.106 29.940 13.800 1.00 0.12 H new ATOM 0 HD13 LEU B 29 31.331 28.650 13.849 1.00 0.12 H new ATOM 0 HD21 LEU B 29 30.882 27.618 10.979 1.00 0.09 H new ATOM 0 HD22 LEU B 29 31.045 26.593 12.425 1.00 0.09 H new ATOM 0 HD23 LEU B 29 29.613 26.436 11.380 1.00 0.09 H new ATOM 1788 N MET B 30 26.018 26.805 14.648 1.00 0.10 N ATOM 1789 CA MET B 30 25.023 26.378 15.663 1.00 0.12 C ATOM 1790 C MET B 30 24.317 25.128 15.136 1.00 0.10 C ATOM 1791 O MET B 30 23.733 24.363 15.877 1.00 0.13 O ATOM 1792 CB MET B 30 24.001 27.497 15.870 1.00 0.16 C ATOM 1793 CG MET B 30 24.608 28.589 16.749 1.00 0.19 C ATOM 1794 SD MET B 30 26.017 29.342 15.897 1.00 1.23 S ATOM 1795 CE MET B 30 27.156 29.381 17.303 1.00 0.22 C ATOM 0 H MET B 30 25.908 27.758 14.302 1.00 0.10 H new ATOM 0 HA MET B 30 25.512 26.163 16.613 1.00 0.12 H new ATOM 0 HB2 MET B 30 23.703 27.914 14.908 1.00 0.16 H new ATOM 0 HB3 MET B 30 23.100 27.099 16.337 1.00 0.16 H new ATOM 0 HG2 MET B 30 23.858 29.348 16.974 1.00 0.19 H new ATOM 0 HG3 MET B 30 24.929 28.167 17.701 1.00 0.19 H new ATOM 0 HE1 MET B 30 27.943 30.111 17.113 1.00 0.22 H new ATOM 0 HE2 MET B 30 26.611 29.661 18.205 1.00 0.22 H new ATOM 0 HE3 MET B 30 27.600 28.395 17.439 1.00 0.22 H new ATOM 1805 N TYR B 31 24.375 24.927 13.847 1.00 0.08 N ATOM 1806 CA TYR B 31 23.720 23.738 13.232 1.00 0.08 C ATOM 1807 C TYR B 31 24.534 22.480 13.553 1.00 0.08 C ATOM 1808 O TYR B 31 24.016 21.513 14.075 1.00 0.09 O ATOM 1809 CB TYR B 31 23.645 23.942 11.713 1.00 0.09 C ATOM 1810 CG TYR B 31 23.183 22.674 11.034 1.00 0.09 C ATOM 1811 CD1 TYR B 31 21.818 22.449 10.821 1.00 0.10 C ATOM 1812 CD2 TYR B 31 24.123 21.729 10.609 1.00 0.10 C ATOM 1813 CE1 TYR B 31 21.393 21.277 10.186 1.00 0.11 C ATOM 1814 CE2 TYR B 31 23.699 20.557 9.972 1.00 0.11 C ATOM 1815 CZ TYR B 31 22.333 20.330 9.761 1.00 0.11 C ATOM 1816 OH TYR B 31 21.913 19.175 9.133 1.00 0.13 O ATOM 0 H TYR B 31 24.853 25.542 13.188 1.00 0.08 H new ATOM 0 HA TYR B 31 22.714 23.618 13.633 1.00 0.08 H new ATOM 0 HB2 TYR B 31 22.958 24.757 11.482 1.00 0.09 H new ATOM 0 HB3 TYR B 31 24.623 24.232 11.330 1.00 0.09 H new ATOM 0 HD1 TYR B 31 21.093 23.180 11.147 1.00 0.10 H new ATOM 0 HD2 TYR B 31 25.176 21.904 10.772 1.00 0.10 H new ATOM 0 HE1 TYR B 31 20.340 21.103 10.024 1.00 0.11 H new ATOM 0 HE2 TYR B 31 24.425 19.828 9.643 1.00 0.11 H new ATOM 0 HH TYR B 31 22.692 18.627 8.902 1.00 0.13 H new ATOM 1826 N VAL B 32 25.804 22.483 13.249 1.00 0.08 N ATOM 1827 CA VAL B 32 26.641 21.285 13.544 1.00 0.08 C ATOM 1828 C VAL B 32 26.639 21.029 15.053 1.00 0.08 C ATOM 1829 O VAL B 32 26.374 19.935 15.506 1.00 0.10 O ATOM 1830 CB VAL B 32 28.073 21.527 13.051 1.00 0.08 C ATOM 1831 CG1 VAL B 32 28.925 20.283 13.318 1.00 0.08 C ATOM 1832 CG2 VAL B 32 28.045 21.815 11.543 1.00 0.08 C ATOM 0 H VAL B 32 26.297 23.261 12.810 1.00 0.08 H new ATOM 0 HA VAL B 32 26.234 20.413 13.032 1.00 0.08 H new ATOM 0 HB VAL B 32 28.503 22.378 13.580 1.00 0.08 H new ATOM 0 HG11 VAL B 32 29.942 20.457 12.967 1.00 0.08 H new ATOM 0 HG12 VAL B 32 28.941 20.076 14.388 1.00 0.08 H new ATOM 0 HG13 VAL B 32 28.499 19.430 12.789 1.00 0.08 H new ATOM 0 HG21 VAL B 32 29.060 21.988 11.187 1.00 0.08 H new ATOM 0 HG22 VAL B 32 27.616 20.962 11.017 1.00 0.08 H new ATOM 0 HG23 VAL B 32 27.438 22.700 11.353 1.00 0.08 H new ATOM 1842 N ILE B 33 26.925 22.028 15.838 1.00 0.08 N ATOM 1843 CA ILE B 33 26.929 21.838 17.315 1.00 0.08 C ATOM 1844 C ILE B 33 25.647 21.090 17.746 1.00 0.09 C ATOM 1845 O ILE B 33 25.713 19.984 18.243 1.00 0.10 O ATOM 1846 CB ILE B 33 27.043 23.224 17.975 1.00 0.08 C ATOM 1847 CG1 ILE B 33 28.453 23.767 17.698 1.00 0.09 C ATOM 1848 CG2 ILE B 33 26.829 23.129 19.488 1.00 0.09 C ATOM 1849 CD1 ILE B 33 28.586 25.218 18.177 1.00 0.08 C ATOM 0 H ILE B 33 27.157 22.969 15.521 1.00 0.08 H new ATOM 0 HA ILE B 33 27.776 21.230 17.633 1.00 0.08 H new ATOM 0 HB ILE B 33 26.279 23.884 17.564 1.00 0.08 H new ATOM 0 HG12 ILE B 33 29.192 23.144 18.202 1.00 0.09 H new ATOM 0 HG13 ILE B 33 28.665 23.712 16.630 1.00 0.09 H new ATOM 0 HG21 ILE B 33 26.915 24.121 19.931 1.00 0.09 H new ATOM 0 HG22 ILE B 33 25.837 22.726 19.691 1.00 0.09 H new ATOM 0 HG23 ILE B 33 27.583 22.472 19.922 1.00 0.09 H new ATOM 0 HD11 ILE B 33 29.593 25.579 17.969 1.00 0.08 H new ATOM 0 HD12 ILE B 33 27.862 25.842 17.653 1.00 0.08 H new ATOM 0 HD13 ILE B 33 28.397 25.266 19.249 1.00 0.08 H new ATOM 1861 N LEU B 34 24.486 21.664 17.549 1.00 0.08 N ATOM 1862 CA LEU B 34 23.218 20.961 17.940 1.00 0.09 C ATOM 1863 C LEU B 34 23.167 19.569 17.274 1.00 0.12 C ATOM 1864 O LEU B 34 22.475 18.683 17.734 1.00 0.16 O ATOM 1865 CB LEU B 34 22.014 21.826 17.458 1.00 0.10 C ATOM 1866 CG LEU B 34 21.233 22.569 18.606 1.00 0.10 C ATOM 1867 CD1 LEU B 34 22.073 22.819 19.875 1.00 0.10 C ATOM 1868 CD2 LEU B 34 20.745 23.921 18.070 1.00 0.11 C ATOM 0 H LEU B 34 24.358 22.587 17.135 1.00 0.08 H new ATOM 0 HA LEU B 34 23.176 20.830 19.021 1.00 0.09 H new ATOM 0 HB2 LEU B 34 22.379 22.567 16.747 1.00 0.10 H new ATOM 0 HB3 LEU B 34 21.316 21.185 16.919 1.00 0.10 H new ATOM 0 HG LEU B 34 20.409 21.917 18.897 1.00 0.10 H new ATOM 0 HD11 LEU B 34 21.465 23.334 20.618 1.00 0.10 H new ATOM 0 HD12 LEU B 34 22.411 21.866 20.281 1.00 0.10 H new ATOM 0 HD13 LEU B 34 22.937 23.434 19.624 1.00 0.10 H new ATOM 0 HD21 LEU B 34 20.202 24.448 18.854 1.00 0.11 H new ATOM 0 HD22 LEU B 34 21.601 24.519 17.757 1.00 0.11 H new ATOM 0 HD23 LEU B 34 20.085 23.758 17.218 1.00 0.11 H new ATOM 1880 N LYS B 35 23.873 19.369 16.196 1.00 0.13 N ATOM 1881 CA LYS B 35 23.828 18.036 15.522 1.00 0.17 C ATOM 1882 C LYS B 35 24.460 16.961 16.410 1.00 0.19 C ATOM 1883 O LYS B 35 23.950 15.864 16.522 1.00 0.28 O ATOM 1884 CB LYS B 35 24.576 18.108 14.183 1.00 0.16 C ATOM 1885 CG LYS B 35 24.151 16.932 13.280 1.00 0.19 C ATOM 1886 CD LYS B 35 22.904 17.308 12.468 1.00 0.26 C ATOM 1887 CE LYS B 35 22.492 16.124 11.593 1.00 0.70 C ATOM 1888 NZ LYS B 35 22.083 14.983 12.462 1.00 1.58 N ATOM 0 H LYS B 35 24.475 20.063 15.753 1.00 0.13 H new ATOM 0 HA LYS B 35 22.786 17.771 15.344 1.00 0.17 H new ATOM 0 HB2 LYS B 35 24.361 19.055 13.687 1.00 0.16 H new ATOM 0 HB3 LYS B 35 25.652 18.075 14.355 1.00 0.16 H new ATOM 0 HG2 LYS B 35 24.966 16.669 12.606 1.00 0.19 H new ATOM 0 HG3 LYS B 35 23.945 16.052 13.890 1.00 0.19 H new ATOM 0 HD2 LYS B 35 22.089 17.580 13.138 1.00 0.26 H new ATOM 0 HD3 LYS B 35 23.110 18.179 11.846 1.00 0.26 H new ATOM 0 HE2 LYS B 35 21.668 16.410 10.939 1.00 0.70 H new ATOM 0 HE3 LYS B 35 23.321 15.827 10.950 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 21.484 14.330 11.918 1.00 1.58 H new ATOM 0 HZ2 LYS B 35 22.930 14.480 12.795 1.00 1.58 H new ATOM 0 HZ3 LYS B 35 21.550 15.343 13.279 1.00 1.58 H new ATOM 1902 N ASP B 36 25.569 17.250 17.033 1.00 0.23 N ATOM 1903 CA ASP B 36 26.225 16.224 17.898 1.00 0.28 C ATOM 1904 C ASP B 36 25.663 16.274 19.319 1.00 0.26 C ATOM 1905 O ASP B 36 25.584 15.269 19.997 1.00 0.39 O ATOM 1906 CB ASP B 36 27.725 16.487 17.942 1.00 0.34 C ATOM 1907 CG ASP B 36 28.323 16.249 16.554 1.00 1.23 C ATOM 1908 OD1 ASP B 36 27.745 16.728 15.593 1.00 1.96 O ATOM 1909 OD2 ASP B 36 29.346 15.589 16.475 1.00 1.92 O ATOM 0 H ASP B 36 26.049 18.148 16.982 1.00 0.23 H new ATOM 0 HA ASP B 36 26.028 15.237 17.479 1.00 0.28 H new ATOM 0 HB2 ASP B 36 27.917 17.511 18.262 1.00 0.34 H new ATOM 0 HB3 ASP B 36 28.199 15.831 18.672 1.00 0.34 H new ATOM 1914 N ALA B 37 25.284 17.430 19.787 1.00 0.21 N ATOM 1915 CA ALA B 37 24.747 17.527 21.170 1.00 0.21 C ATOM 1916 C ALA B 37 23.315 17.012 21.204 1.00 0.20 C ATOM 1917 O ALA B 37 22.494 17.493 21.960 1.00 0.24 O ATOM 1918 CB ALA B 37 24.744 18.985 21.600 1.00 0.22 C ATOM 0 H ALA B 37 25.323 18.310 19.272 1.00 0.21 H new ATOM 0 HA ALA B 37 25.369 16.932 21.839 1.00 0.21 H new ATOM 0 HB1 ALA B 37 24.351 19.065 22.614 1.00 0.22 H new ATOM 0 HB2 ALA B 37 25.762 19.374 21.573 1.00 0.22 H new ATOM 0 HB3 ALA B 37 24.117 19.563 20.922 1.00 0.22 H new ATOM 1924 N ASP B 38 22.994 16.050 20.390 1.00 0.20 N ATOM 1925 CA ASP B 38 21.602 15.533 20.386 1.00 0.21 C ATOM 1926 C ASP B 38 20.651 16.723 20.232 1.00 0.18 C ATOM 1927 O ASP B 38 19.476 16.648 20.531 1.00 0.21 O ATOM 1928 CB ASP B 38 21.331 14.799 21.711 1.00 0.28 C ATOM 1929 CG ASP B 38 20.266 13.716 21.505 1.00 1.00 C ATOM 1930 OD1 ASP B 38 20.409 12.944 20.571 1.00 1.86 O ATOM 1931 OD2 ASP B 38 19.328 13.679 22.283 1.00 1.59 O ATOM 0 H ASP B 38 23.631 15.602 19.731 1.00 0.20 H new ATOM 0 HA ASP B 38 21.451 14.834 19.563 1.00 0.21 H new ATOM 0 HB2 ASP B 38 22.252 14.349 22.081 1.00 0.28 H new ATOM 0 HB3 ASP B 38 20.997 15.509 22.467 1.00 0.28 H new ATOM 1936 N ALA B 39 21.175 17.825 19.774 1.00 0.14 N ATOM 1937 CA ALA B 39 20.350 19.044 19.596 1.00 0.14 C ATOM 1938 C ALA B 39 19.872 19.543 20.962 1.00 0.15 C ATOM 1939 O ALA B 39 19.047 20.430 21.056 1.00 0.18 O ATOM 1940 CB ALA B 39 19.152 18.733 18.699 1.00 0.16 C ATOM 0 H ALA B 39 22.155 17.931 19.513 1.00 0.14 H new ATOM 0 HA ALA B 39 20.950 19.822 19.123 1.00 0.14 H new ATOM 0 HB1 ALA B 39 18.549 19.632 18.572 1.00 0.16 H new ATOM 0 HB2 ALA B 39 19.505 18.392 17.726 1.00 0.16 H new ATOM 0 HB3 ALA B 39 18.546 17.952 19.159 1.00 0.16 H new ATOM 1946 N ASN B 40 20.393 18.986 22.021 1.00 0.15 N ATOM 1947 CA ASN B 40 19.976 19.439 23.376 1.00 0.18 C ATOM 1948 C ASN B 40 20.674 20.762 23.677 1.00 0.15 C ATOM 1949 O ASN B 40 21.821 20.798 24.074 1.00 0.15 O ATOM 1950 CB ASN B 40 20.376 18.392 24.417 1.00 0.23 C ATOM 1951 CG ASN B 40 19.611 18.645 25.718 1.00 0.91 C ATOM 1952 OD1 ASN B 40 19.356 17.729 26.475 1.00 1.90 O ATOM 1953 ND2 ASN B 40 19.230 19.858 26.010 1.00 1.32 N ATOM 0 H ASN B 40 21.087 18.239 22.006 1.00 0.15 H new ATOM 0 HA ASN B 40 18.895 19.571 23.411 1.00 0.18 H new ATOM 0 HB2 ASN B 40 20.158 17.391 24.044 1.00 0.23 H new ATOM 0 HB3 ASN B 40 21.450 18.437 24.600 1.00 0.23 H new ATOM 0 HD21 ASN B 40 18.718 20.038 26.874 1.00 1.32 H new ATOM 0 HD22 ASN B 40 19.444 20.627 25.375 1.00 1.32 H new ATOM 1960 N ILE B 41 19.993 21.850 23.469 1.00 0.15 N ATOM 1961 CA ILE B 41 20.610 23.179 23.715 1.00 0.15 C ATOM 1962 C ILE B 41 21.353 23.185 25.054 1.00 0.15 C ATOM 1963 O ILE B 41 22.474 23.645 25.137 1.00 0.14 O ATOM 1964 CB ILE B 41 19.510 24.251 23.692 1.00 0.19 C ATOM 1965 CG1 ILE B 41 19.100 24.480 22.224 1.00 0.21 C ATOM 1966 CG2 ILE B 41 20.031 25.553 24.332 1.00 0.21 C ATOM 1967 CD1 ILE B 41 18.000 25.536 22.128 1.00 0.24 C ATOM 0 H ILE B 41 19.029 21.876 23.137 1.00 0.15 H new ATOM 0 HA ILE B 41 21.338 23.396 22.933 1.00 0.15 H new ATOM 0 HB ILE B 41 18.643 23.926 24.267 1.00 0.19 H new ATOM 0 HG12 ILE B 41 19.967 24.797 21.645 1.00 0.21 H new ATOM 0 HG13 ILE B 41 18.751 23.544 21.789 1.00 0.21 H new ATOM 0 HG21 ILE B 41 19.245 26.308 24.312 1.00 0.21 H new ATOM 0 HG22 ILE B 41 20.322 25.360 25.364 1.00 0.21 H new ATOM 0 HG23 ILE B 41 20.895 25.913 23.773 1.00 0.21 H new ATOM 0 HD11 ILE B 41 17.726 25.682 21.083 1.00 0.24 H new ATOM 0 HD12 ILE B 41 17.127 25.204 22.689 1.00 0.24 H new ATOM 0 HD13 ILE B 41 18.362 26.477 22.543 1.00 0.24 H new ATOM 1979 N GLU B 42 20.757 22.684 26.099 1.00 0.17 N ATOM 1980 CA GLU B 42 21.461 22.677 27.410 1.00 0.17 C ATOM 1981 C GLU B 42 22.865 22.110 27.217 1.00 0.16 C ATOM 1982 O GLU B 42 23.849 22.725 27.571 1.00 0.18 O ATOM 1983 CB GLU B 42 20.682 21.818 28.407 1.00 0.20 C ATOM 1984 CG GLU B 42 19.286 22.420 28.616 1.00 0.30 C ATOM 1985 CD GLU B 42 18.363 22.000 27.468 1.00 1.03 C ATOM 1986 OE1 GLU B 42 18.338 22.699 26.469 1.00 1.78 O ATOM 1987 OE2 GLU B 42 17.698 20.988 27.609 1.00 1.65 O ATOM 0 H GLU B 42 19.820 22.282 26.103 1.00 0.17 H new ATOM 0 HA GLU B 42 21.530 23.693 27.799 1.00 0.17 H new ATOM 0 HB2 GLU B 42 20.598 20.797 28.036 1.00 0.20 H new ATOM 0 HB3 GLU B 42 21.215 21.769 29.356 1.00 0.20 H new ATOM 0 HG2 GLU B 42 18.874 22.084 29.568 1.00 0.30 H new ATOM 0 HG3 GLU B 42 19.352 23.507 28.663 1.00 0.30 H new ATOM 1994 N GLU B 43 22.964 20.949 26.637 1.00 0.16 N ATOM 1995 CA GLU B 43 24.304 20.349 26.402 1.00 0.16 C ATOM 1996 C GLU B 43 25.091 21.238 25.440 1.00 0.14 C ATOM 1997 O GLU B 43 26.134 21.757 25.775 1.00 0.20 O ATOM 1998 CB GLU B 43 24.146 18.959 25.786 1.00 0.18 C ATOM 1999 CG GLU B 43 25.526 18.327 25.584 1.00 0.30 C ATOM 2000 CD GLU B 43 25.373 16.821 25.365 1.00 1.21 C ATOM 2001 OE1 GLU B 43 25.130 16.428 24.236 1.00 1.96 O ATOM 2002 OE2 GLU B 43 25.500 16.086 26.331 1.00 1.89 O ATOM 0 H GLU B 43 22.174 20.389 26.315 1.00 0.16 H new ATOM 0 HA GLU B 43 24.835 20.267 27.350 1.00 0.16 H new ATOM 0 HB2 GLU B 43 23.538 18.329 26.436 1.00 0.18 H new ATOM 0 HB3 GLU B 43 23.624 19.030 24.832 1.00 0.18 H new ATOM 0 HG2 GLU B 43 26.023 18.781 24.727 1.00 0.30 H new ATOM 0 HG3 GLU B 43 26.155 18.516 26.454 1.00 0.30 H new ATOM 2009 N ALA B 44 24.601 21.418 24.243 1.00 0.12 N ATOM 2010 CA ALA B 44 25.333 22.271 23.265 1.00 0.12 C ATOM 2011 C ALA B 44 25.735 23.594 23.926 1.00 0.12 C ATOM 2012 O ALA B 44 26.886 23.980 23.905 1.00 0.14 O ATOM 2013 CB ALA B 44 24.440 22.538 22.047 1.00 0.13 C ATOM 0 H ALA B 44 23.729 21.013 23.902 1.00 0.12 H new ATOM 0 HA ALA B 44 26.235 21.754 22.938 1.00 0.12 H new ATOM 0 HB1 ALA B 44 24.977 23.162 21.332 1.00 0.13 H new ATOM 0 HB2 ALA B 44 24.175 21.592 21.575 1.00 0.13 H new ATOM 0 HB3 ALA B 44 23.533 23.050 22.366 1.00 0.13 H new ATOM 2019 N SER B 45 24.803 24.292 24.509 1.00 0.12 N ATOM 2020 CA SER B 45 25.157 25.583 25.161 1.00 0.16 C ATOM 2021 C SER B 45 26.267 25.338 26.182 1.00 0.15 C ATOM 2022 O SER B 45 27.157 26.146 26.352 1.00 0.16 O ATOM 2023 CB SER B 45 23.933 26.166 25.867 1.00 0.19 C ATOM 2024 OG SER B 45 24.352 27.172 26.780 1.00 0.82 O ATOM 0 H SER B 45 23.819 24.028 24.563 1.00 0.12 H new ATOM 0 HA SER B 45 25.498 26.289 24.404 1.00 0.16 H new ATOM 0 HB2 SER B 45 23.243 26.587 25.136 1.00 0.19 H new ATOM 0 HB3 SER B 45 23.395 25.379 26.396 1.00 0.19 H new ATOM 0 HG SER B 45 23.569 27.549 27.233 1.00 0.82 H new ATOM 2030 N ARG B 46 26.226 24.223 26.860 1.00 0.17 N ATOM 2031 CA ARG B 46 27.286 23.928 27.861 1.00 0.20 C ATOM 2032 C ARG B 46 28.599 23.635 27.127 1.00 0.17 C ATOM 2033 O ARG B 46 29.671 23.755 27.686 1.00 0.23 O ATOM 2034 CB ARG B 46 26.870 22.722 28.713 1.00 0.24 C ATOM 2035 CG ARG B 46 25.779 23.147 29.709 1.00 0.84 C ATOM 2036 CD ARG B 46 25.005 21.917 30.197 1.00 1.21 C ATOM 2037 NE ARG B 46 25.932 20.998 30.916 1.00 1.63 N ATOM 2038 CZ ARG B 46 25.453 20.044 31.668 1.00 2.08 C ATOM 2039 NH1 ARG B 46 24.162 19.902 31.798 1.00 2.50 N ATOM 2040 NH2 ARG B 46 26.265 19.233 32.289 1.00 2.80 N ATOM 0 H ARG B 46 25.506 23.507 26.763 1.00 0.17 H new ATOM 0 HA ARG B 46 27.426 24.786 28.518 1.00 0.20 H new ATOM 0 HB2 ARG B 46 26.500 21.921 28.072 1.00 0.24 H new ATOM 0 HB3 ARG B 46 27.733 22.328 29.250 1.00 0.24 H new ATOM 0 HG2 ARG B 46 26.230 23.663 30.557 1.00 0.84 H new ATOM 0 HG3 ARG B 46 25.096 23.851 29.234 1.00 0.84 H new ATOM 0 HD2 ARG B 46 24.194 22.223 30.858 1.00 1.21 H new ATOM 0 HD3 ARG B 46 24.549 21.402 29.351 1.00 1.21 H new ATOM 0 HE ARG B 46 26.941 21.114 30.821 1.00 1.63 H new ATOM 0 HH11 ARG B 46 23.528 20.536 31.312 1.00 2.50 H new ATOM 0 HH12 ARG B 46 23.787 19.157 32.385 1.00 2.50 H new ATOM 0 HH21 ARG B 46 27.274 19.344 32.187 1.00 2.80 H new ATOM 0 HH22 ARG B 46 25.891 18.488 32.876 1.00 2.80 H new ATOM 2054 N ARG B 47 28.527 23.270 25.871 1.00 0.13 N ATOM 2055 CA ARG B 47 29.780 22.994 25.106 1.00 0.12 C ATOM 2056 C ARG B 47 30.407 24.323 24.693 1.00 0.11 C ATOM 2057 O ARG B 47 31.533 24.627 25.032 1.00 0.12 O ATOM 2058 CB ARG B 47 29.471 22.187 23.840 1.00 0.15 C ATOM 2059 CG ARG B 47 28.882 20.821 24.207 1.00 0.32 C ATOM 2060 CD ARG B 47 29.050 19.843 23.038 1.00 0.54 C ATOM 2061 NE ARG B 47 28.210 20.281 21.888 1.00 0.95 N ATOM 2062 CZ ARG B 47 28.362 19.716 20.721 1.00 1.20 C ATOM 2063 NH1 ARG B 47 29.250 18.773 20.567 1.00 1.81 N ATOM 2064 NH2 ARG B 47 27.623 20.085 19.713 1.00 1.62 N ATOM 0 H ARG B 47 27.661 23.152 25.346 1.00 0.13 H new ATOM 0 HA ARG B 47 30.460 22.422 25.737 1.00 0.12 H new ATOM 0 HB2 ARG B 47 28.768 22.736 23.213 1.00 0.15 H new ATOM 0 HB3 ARG B 47 30.381 22.052 23.256 1.00 0.15 H new ATOM 0 HG2 ARG B 47 29.379 20.428 25.094 1.00 0.32 H new ATOM 0 HG3 ARG B 47 27.826 20.926 24.454 1.00 0.32 H new ATOM 0 HD2 ARG B 47 30.097 19.797 22.738 1.00 0.54 H new ATOM 0 HD3 ARG B 47 28.762 18.838 23.348 1.00 0.54 H new ATOM 0 HE ARG B 47 27.518 21.020 22.012 1.00 0.95 H new ATOM 0 HH11 ARG B 47 29.824 18.479 21.357 1.00 1.81 H new ATOM 0 HH12 ARG B 47 29.371 18.330 19.656 1.00 1.81 H new ATOM 0 HH21 ARG B 47 26.923 20.817 19.835 1.00 1.62 H new ATOM 0 HH22 ARG B 47 27.744 19.642 18.802 1.00 1.62 H new ATOM 2078 N ILE B 48 29.676 25.121 23.962 1.00 0.10 N ATOM 2079 CA ILE B 48 30.213 26.440 23.522 1.00 0.09 C ATOM 2080 C ILE B 48 30.810 27.153 24.732 1.00 0.10 C ATOM 2081 O ILE B 48 31.964 27.534 24.740 1.00 0.10 O ATOM 2082 CB ILE B 48 29.086 27.286 22.929 1.00 0.10 C ATOM 2083 CG1 ILE B 48 28.354 26.478 21.848 1.00 0.10 C ATOM 2084 CG2 ILE B 48 29.689 28.547 22.308 1.00 0.10 C ATOM 2085 CD1 ILE B 48 27.127 27.247 21.355 1.00 0.10 C ATOM 0 H ILE B 48 28.727 24.915 23.650 1.00 0.10 H new ATOM 0 HA ILE B 48 30.980 26.293 22.762 1.00 0.09 H new ATOM 0 HB ILE B 48 28.378 27.562 23.710 1.00 0.10 H new ATOM 0 HG12 ILE B 48 29.027 26.279 21.014 1.00 0.10 H new ATOM 0 HG13 ILE B 48 28.050 25.511 22.250 1.00 0.10 H new ATOM 0 HG21 ILE B 48 28.894 29.159 21.882 1.00 0.10 H new ATOM 0 HG22 ILE B 48 30.212 29.116 23.076 1.00 0.10 H new ATOM 0 HG23 ILE B 48 30.391 28.266 21.523 1.00 0.10 H new ATOM 0 HD11 ILE B 48 26.616 26.664 20.589 1.00 0.10 H new ATOM 0 HD12 ILE B 48 26.448 27.423 22.190 1.00 0.10 H new ATOM 0 HD13 ILE B 48 27.441 28.203 20.935 1.00 0.10 H new ATOM 2097 N GLU B 49 30.032 27.314 25.765 1.00 0.10 N ATOM 2098 CA GLU B 49 30.545 27.976 26.998 1.00 0.11 C ATOM 2099 C GLU B 49 31.886 27.354 27.368 1.00 0.11 C ATOM 2100 O GLU B 49 32.907 28.012 27.390 1.00 0.12 O ATOM 2101 CB GLU B 49 29.564 27.722 28.133 1.00 0.13 C ATOM 2102 CG GLU B 49 28.342 28.629 27.973 1.00 0.14 C ATOM 2103 CD GLU B 49 28.707 30.056 28.388 1.00 0.16 C ATOM 2104 OE1 GLU B 49 28.956 30.264 29.564 1.00 1.10 O ATOM 2105 OE2 GLU B 49 28.732 30.916 27.523 1.00 1.07 O ATOM 0 H GLU B 49 29.058 27.014 25.809 1.00 0.10 H new ATOM 0 HA GLU B 49 30.659 29.047 26.828 1.00 0.11 H new ATOM 0 HB2 GLU B 49 29.255 26.677 28.132 1.00 0.13 H new ATOM 0 HB3 GLU B 49 30.046 27.911 29.092 1.00 0.13 H new ATOM 0 HG2 GLU B 49 28.000 28.616 26.938 1.00 0.14 H new ATOM 0 HG3 GLU B 49 27.519 28.260 28.586 1.00 0.14 H new ATOM 2112 N GLU B 50 31.890 26.076 27.634 1.00 0.12 N ATOM 2113 CA GLU B 50 33.167 25.397 27.972 1.00 0.12 C ATOM 2114 C GLU B 50 34.149 25.717 26.858 1.00 0.11 C ATOM 2115 O GLU B 50 35.345 25.670 27.028 1.00 0.11 O ATOM 2116 CB GLU B 50 32.946 23.885 28.056 1.00 0.14 C ATOM 2117 CG GLU B 50 34.190 23.217 28.645 1.00 0.17 C ATOM 2118 CD GLU B 50 34.265 23.507 30.145 1.00 1.14 C ATOM 2119 OE1 GLU B 50 33.666 22.762 30.903 1.00 1.97 O ATOM 2120 OE2 GLU B 50 34.920 24.470 30.510 1.00 1.78 O ATOM 0 H GLU B 50 31.065 25.476 27.631 1.00 0.12 H new ATOM 0 HA GLU B 50 33.547 25.737 28.935 1.00 0.12 H new ATOM 0 HB2 GLU B 50 32.076 23.668 28.676 1.00 0.14 H new ATOM 0 HB3 GLU B 50 32.739 23.482 27.065 1.00 0.14 H new ATOM 0 HG2 GLU B 50 34.153 22.141 28.473 1.00 0.17 H new ATOM 0 HG3 GLU B 50 35.085 23.589 28.147 1.00 0.17 H new ATOM 2127 N GLY B 51 33.628 26.078 25.719 1.00 0.10 N ATOM 2128 CA GLY B 51 34.511 26.444 24.574 1.00 0.09 C ATOM 2129 C GLY B 51 35.014 27.867 24.806 1.00 0.09 C ATOM 2130 O GLY B 51 36.201 28.120 24.866 1.00 0.10 O ATOM 0 H GLY B 51 32.627 26.136 25.530 1.00 0.10 H new ATOM 0 HA2 GLY B 51 35.349 25.750 24.501 1.00 0.09 H new ATOM 0 HA3 GLY B 51 33.963 26.382 23.634 1.00 0.09 H new ATOM 2134 N GLN B 52 34.107 28.796 24.966 1.00 0.10 N ATOM 2135 CA GLN B 52 34.510 30.210 25.232 1.00 0.11 C ATOM 2136 C GLN B 52 35.546 30.211 26.346 1.00 0.11 C ATOM 2137 O GLN B 52 36.578 30.846 26.257 1.00 0.13 O ATOM 2138 CB GLN B 52 33.282 31.009 25.676 1.00 0.13 C ATOM 2139 CG GLN B 52 32.197 30.906 24.603 1.00 0.19 C ATOM 2140 CD GLN B 52 32.592 31.759 23.399 1.00 0.54 C ATOM 2141 OE1 GLN B 52 33.583 32.460 23.437 1.00 1.37 O ATOM 2142 NE2 GLN B 52 31.854 31.731 22.324 1.00 0.74 N ATOM 0 H GLN B 52 33.101 28.636 24.924 1.00 0.10 H new ATOM 0 HA GLN B 52 34.927 30.662 24.332 1.00 0.11 H new ATOM 0 HB2 GLN B 52 32.908 30.626 26.625 1.00 0.13 H new ATOM 0 HB3 GLN B 52 33.552 32.053 25.838 1.00 0.13 H new ATOM 0 HG2 GLN B 52 32.067 29.867 24.300 1.00 0.19 H new ATOM 0 HG3 GLN B 52 31.241 31.243 25.003 1.00 0.19 H new ATOM 0 HE21 GLN B 52 31.022 31.142 22.292 1.00 0.74 H new ATOM 0 HE22 GLN B 52 32.109 32.298 21.515 1.00 0.74 H new ATOM 2151 N TYR B 53 35.279 29.485 27.389 1.00 0.11 N ATOM 2152 CA TYR B 53 36.251 29.419 28.512 1.00 0.13 C ATOM 2153 C TYR B 53 37.590 28.893 27.974 1.00 0.13 C ATOM 2154 O TYR B 53 38.634 29.444 28.254 1.00 0.16 O ATOM 2155 CB TYR B 53 35.711 28.490 29.618 1.00 0.14 C ATOM 2156 CG TYR B 53 36.841 28.065 30.535 1.00 0.17 C ATOM 2157 CD1 TYR B 53 37.686 27.026 30.142 1.00 0.17 C ATOM 2158 CD2 TYR B 53 37.051 28.713 31.757 1.00 0.22 C ATOM 2159 CE1 TYR B 53 38.743 26.627 30.959 1.00 0.22 C ATOM 2160 CE2 TYR B 53 38.112 28.317 32.583 1.00 0.26 C ATOM 2161 CZ TYR B 53 38.960 27.274 32.183 1.00 0.25 C ATOM 2162 OH TYR B 53 40.005 26.883 32.996 1.00 0.30 O ATOM 0 H TYR B 53 34.430 28.934 27.514 1.00 0.11 H new ATOM 0 HA TYR B 53 36.397 30.411 28.940 1.00 0.13 H new ATOM 0 HB2 TYR B 53 34.940 29.004 30.192 1.00 0.14 H new ATOM 0 HB3 TYR B 53 35.244 27.612 29.171 1.00 0.14 H new ATOM 0 HD1 TYR B 53 37.520 26.528 29.198 1.00 0.17 H new ATOM 0 HD2 TYR B 53 36.397 29.516 32.063 1.00 0.22 H new ATOM 0 HE1 TYR B 53 39.393 25.822 30.649 1.00 0.22 H new ATOM 0 HE2 TYR B 53 38.276 28.815 33.527 1.00 0.26 H new ATOM 0 HH TYR B 53 40.014 27.435 33.806 1.00 0.30 H new ATOM 2172 N VAL B 54 37.572 27.830 27.210 1.00 0.11 N ATOM 2173 CA VAL B 54 38.858 27.289 26.677 1.00 0.12 C ATOM 2174 C VAL B 54 39.591 28.397 25.921 1.00 0.12 C ATOM 2175 O VAL B 54 40.660 28.828 26.305 1.00 0.13 O ATOM 2176 CB VAL B 54 38.607 26.122 25.703 1.00 0.11 C ATOM 2177 CG1 VAL B 54 39.959 25.661 25.143 1.00 0.13 C ATOM 2178 CG2 VAL B 54 37.904 24.931 26.412 1.00 0.12 C ATOM 0 H VAL B 54 36.733 27.319 26.935 1.00 0.11 H new ATOM 0 HA VAL B 54 39.452 26.929 27.517 1.00 0.12 H new ATOM 0 HB VAL B 54 37.952 26.464 24.902 1.00 0.11 H new ATOM 0 HG11 VAL B 54 39.803 24.834 24.450 1.00 0.13 H new ATOM 0 HG12 VAL B 54 40.437 26.489 24.619 1.00 0.13 H new ATOM 0 HG13 VAL B 54 40.599 25.332 25.962 1.00 0.13 H new ATOM 0 HG21 VAL B 54 37.742 24.125 25.696 1.00 0.12 H new ATOM 0 HG22 VAL B 54 38.532 24.571 27.227 1.00 0.12 H new ATOM 0 HG23 VAL B 54 36.944 25.260 26.811 1.00 0.12 H new ATOM 2188 N VAL B 55 39.019 28.853 24.842 1.00 0.11 N ATOM 2189 CA VAL B 55 39.670 29.926 24.042 1.00 0.11 C ATOM 2190 C VAL B 55 40.057 31.086 24.963 1.00 0.14 C ATOM 2191 O VAL B 55 41.187 31.531 24.977 1.00 0.17 O ATOM 2192 CB VAL B 55 38.693 30.420 22.965 1.00 0.11 C ATOM 2193 CG1 VAL B 55 39.359 31.512 22.124 1.00 0.13 C ATOM 2194 CG2 VAL B 55 38.307 29.250 22.056 1.00 0.10 C ATOM 0 H VAL B 55 38.124 28.526 24.478 1.00 0.11 H new ATOM 0 HA VAL B 55 40.567 29.534 23.563 1.00 0.11 H new ATOM 0 HB VAL B 55 37.802 30.825 23.445 1.00 0.11 H new ATOM 0 HG11 VAL B 55 38.662 31.859 21.361 1.00 0.13 H new ATOM 0 HG12 VAL B 55 39.639 32.346 22.767 1.00 0.13 H new ATOM 0 HG13 VAL B 55 40.251 31.109 21.644 1.00 0.13 H new ATOM 0 HG21 VAL B 55 37.613 29.598 21.290 1.00 0.10 H new ATOM 0 HG22 VAL B 55 39.202 28.849 21.580 1.00 0.10 H new ATOM 0 HG23 VAL B 55 37.831 28.470 22.650 1.00 0.10 H new ATOM 2204 N ASN B 56 39.125 31.582 25.727 1.00 0.16 N ATOM 2205 CA ASN B 56 39.436 32.718 26.643 1.00 0.20 C ATOM 2206 C ASN B 56 40.494 32.291 27.663 1.00 0.22 C ATOM 2207 O ASN B 56 41.400 33.036 27.981 1.00 0.31 O ATOM 2208 CB ASN B 56 38.165 33.143 27.380 1.00 0.26 C ATOM 2209 CG ASN B 56 38.488 34.302 28.325 1.00 0.52 C ATOM 2210 OD1 ASN B 56 39.365 34.194 29.159 1.00 1.35 O ATOM 2211 ND2 ASN B 56 37.812 35.414 28.229 1.00 0.91 N ATOM 0 H ASN B 56 38.161 31.251 25.758 1.00 0.16 H new ATOM 0 HA ASN B 56 39.818 33.554 26.057 1.00 0.20 H new ATOM 0 HB2 ASN B 56 37.400 33.445 26.664 1.00 0.26 H new ATOM 0 HB3 ASN B 56 37.760 32.302 27.943 1.00 0.26 H new ATOM 0 HD21 ASN B 56 38.020 36.193 28.854 1.00 0.91 H new ATOM 0 HD22 ASN B 56 37.076 35.504 27.529 1.00 0.91 H new