USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 647 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 56 ASN : amide:sc= -2.6! C(o=-7.5!,f=-4.5!) USER MOD Set 1.2: A 59 GLN : amide:sc= -4.87! K(o=-7.5!,f=-2.4) USER MOD Set 2.1: A 55 SER OG : rot -177:sc= -0.686 USER MOD Set 2.2: A 81 THR OG1 : rot 180:sc= 0.0916 USER MOD Set 3.1: A 23 ASN : amide:sc= -0.224 K(o=-0.2,f=2.2) USER MOD Set 3.2: A 96 THR OG1 : rot -150:sc= 0.0196 USER MOD Single : A 11 THR OG1 : rot -19:sc= 0.161 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.95 X(o=-0.95,f=-0.85) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.19 K(o=-1.2,f=-2.8!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0576 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.338 USER MOD Single : A 29 SER OG : rot 180:sc= 0.00509 USER MOD Single : A 30 LYS NZ :NH3+ -118:sc= -0.16 (180deg=-5.03!) USER MOD Single : A 31 GLN : amide:sc= -2.14 K(o=-2.1,f=-0.8) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -26:sc= 0.0368 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -170:sc= -2.55 USER MOD Single : A 48 SER OG : rot 180:sc= 0.00407 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 74:sc= 0.33 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 58 SER OG : rot 180:sc= -0.354 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.11 K(o=-2.1,f=-3.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -55:sc= -0.413 USER MOD Single : A 69 LYS NZ :NH3+ -145:sc= -0.164 (180deg=-0.859) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= -0.168 USER MOD Single : A 79 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.8!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 15:sc= -0.881 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc=-0.00599 X(o=-0.006,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -2.2! K(o=-2.2!,f=-0.044) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.0858 USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 11 15.574 19.042 4.640 1.00 44.15 N ATOM 142 CA THR A 11 16.244 20.302 4.938 1.00 63.45 C ATOM 143 C THR A 11 15.398 21.169 5.862 1.00 3.05 C ATOM 144 O THR A 11 14.965 22.258 5.485 1.00 52.35 O ATOM 145 CB THR A 11 16.553 21.092 3.652 1.00 62.42 C ATOM 146 OG1 THR A 11 15.376 21.189 2.842 1.00 63.11 O ATOM 147 CG2 THR A 11 17.666 20.422 2.860 1.00 41.24 C ATOM 0 HA THR A 11 17.181 20.052 5.436 1.00 63.45 H new ATOM 0 HB THR A 11 16.882 22.092 3.936 1.00 62.42 H new ATOM 0 HG1 THR A 11 14.734 20.500 3.114 1.00 63.11 H new ATOM 0 HG21 THR A 11 17.867 20.998 1.956 1.00 41.24 H new ATOM 0 HG22 THR A 11 18.569 20.376 3.469 1.00 41.24 H new ATOM 0 HG23 THR A 11 17.361 19.412 2.587 1.00 41.24 H new ATOM 155 N LEU A 12 15.167 20.681 7.076 1.00 71.40 N ATOM 156 CA LEU A 12 14.372 21.412 8.057 1.00 44.55 C ATOM 157 C LEU A 12 15.044 22.731 8.426 1.00 12.24 C ATOM 158 O LEU A 12 16.158 22.747 8.950 1.00 33.42 O ATOM 159 CB LEU A 12 14.166 20.563 9.311 1.00 31.54 C ATOM 160 CG LEU A 12 13.649 19.142 9.082 1.00 32.13 C ATOM 161 CD1 LEU A 12 14.522 18.132 9.810 1.00 24.02 C ATOM 162 CD2 LEU A 12 12.201 19.022 9.535 1.00 20.32 C ATOM 0 H LEU A 12 15.519 19.782 7.405 1.00 71.40 H new ATOM 0 HA LEU A 12 13.401 21.631 7.612 1.00 44.55 H new ATOM 0 HB2 LEU A 12 15.115 20.501 9.844 1.00 31.54 H new ATOM 0 HB3 LEU A 12 13.466 21.082 9.966 1.00 31.54 H new ATOM 0 HG LEU A 12 13.694 18.927 8.014 1.00 32.13 H new ATOM 0 HD11 LEU A 12 14.138 17.127 9.635 1.00 24.02 H new ATOM 0 HD12 LEU A 12 15.544 18.200 9.438 1.00 24.02 H new ATOM 0 HD13 LEU A 12 14.510 18.344 10.879 1.00 24.02 H new ATOM 0 HD21 LEU A 12 11.850 18.004 9.365 1.00 20.32 H new ATOM 0 HD22 LEU A 12 12.131 19.257 10.597 1.00 20.32 H new ATOM 0 HD23 LEU A 12 11.583 19.719 8.968 1.00 20.32 H new ATOM 174 N SER A 13 14.358 23.836 8.152 1.00 14.03 N ATOM 175 CA SER A 13 14.888 25.160 8.455 1.00 41.22 C ATOM 176 C SER A 13 14.083 25.827 9.566 1.00 40.11 C ATOM 177 O SER A 13 14.647 26.389 10.505 1.00 40.13 O ATOM 178 CB SER A 13 14.873 26.037 7.201 1.00 11.45 C ATOM 179 OG SER A 13 14.941 27.412 7.540 1.00 31.21 O ATOM 0 H SER A 13 13.434 23.840 7.721 1.00 14.03 H new ATOM 0 HA SER A 13 15.917 25.043 8.796 1.00 41.22 H new ATOM 0 HB2 SER A 13 15.715 25.775 6.560 1.00 11.45 H new ATOM 0 HB3 SER A 13 13.965 25.844 6.629 1.00 11.45 H new ATOM 0 HG SER A 13 14.931 27.951 6.722 1.00 31.21 H new ATOM 185 N SER A 14 12.760 25.760 9.452 1.00 44.44 N ATOM 186 CA SER A 14 11.876 26.361 10.444 1.00 61.44 C ATOM 187 C SER A 14 10.617 25.519 10.629 1.00 23.13 C ATOM 188 O SER A 14 10.152 24.864 9.696 1.00 43.11 O ATOM 189 CB SER A 14 11.496 27.782 10.025 1.00 12.10 C ATOM 190 OG SER A 14 11.694 28.697 11.089 1.00 42.33 O ATOM 0 H SER A 14 12.277 25.296 8.683 1.00 44.44 H new ATOM 0 HA SER A 14 12.409 26.401 11.394 1.00 61.44 H new ATOM 0 HB2 SER A 14 12.095 28.084 9.166 1.00 12.10 H new ATOM 0 HB3 SER A 14 10.453 27.805 9.711 1.00 12.10 H new ATOM 0 HG SER A 14 11.446 29.598 10.796 1.00 42.33 H new ATOM 196 N ILE A 15 10.071 25.542 11.840 1.00 22.14 N ATOM 197 CA ILE A 15 8.866 24.782 12.149 1.00 40.31 C ATOM 198 C ILE A 15 7.910 25.596 13.015 1.00 23.20 C ATOM 199 O ILE A 15 8.336 26.446 13.797 1.00 32.54 O ATOM 200 CB ILE A 15 9.201 23.464 12.872 1.00 11.41 C ATOM 201 CG1 ILE A 15 10.293 22.705 12.115 1.00 13.34 C ATOM 202 CG2 ILE A 15 7.953 22.606 13.014 1.00 13.31 C ATOM 203 CD1 ILE A 15 9.852 22.208 10.757 1.00 71.05 C ATOM 0 H ILE A 15 10.444 26.079 12.623 1.00 22.14 H new ATOM 0 HA ILE A 15 8.385 24.552 11.198 1.00 40.31 H new ATOM 0 HB ILE A 15 9.573 23.698 13.870 1.00 11.41 H new ATOM 0 HG12 ILE A 15 11.158 23.357 11.991 1.00 13.34 H new ATOM 0 HG13 ILE A 15 10.617 21.856 12.716 1.00 13.34 H new ATOM 0 HG21 ILE A 15 8.206 21.678 13.527 1.00 13.31 H new ATOM 0 HG22 ILE A 15 7.203 23.147 13.591 1.00 13.31 H new ATOM 0 HG23 ILE A 15 7.554 22.377 12.026 1.00 13.31 H new ATOM 0 HD11 ILE A 15 10.676 21.680 10.278 1.00 71.05 H new ATOM 0 HD12 ILE A 15 9.006 21.531 10.875 1.00 71.05 H new ATOM 0 HD13 ILE A 15 9.555 23.055 10.138 1.00 71.05 H new ATOM 215 N SER A 16 6.616 25.328 12.871 1.00 43.22 N ATOM 216 CA SER A 16 5.599 26.037 13.639 1.00 70.35 C ATOM 217 C SER A 16 4.629 25.056 14.290 1.00 21.24 C ATOM 218 O SER A 16 3.954 24.286 13.606 1.00 42.21 O ATOM 219 CB SER A 16 4.832 27.006 12.737 1.00 44.21 C ATOM 220 OG SER A 16 5.198 28.349 13.004 1.00 21.14 O ATOM 0 H SER A 16 6.247 24.625 12.230 1.00 43.22 H new ATOM 0 HA SER A 16 6.100 26.602 14.425 1.00 70.35 H new ATOM 0 HB2 SER A 16 5.034 26.772 11.692 1.00 44.21 H new ATOM 0 HB3 SER A 16 3.760 26.880 12.891 1.00 44.21 H new ATOM 0 HG SER A 16 4.696 28.949 12.414 1.00 21.14 H new ATOM 226 N ILE A 17 4.566 25.090 15.617 1.00 32.31 N ATOM 227 CA ILE A 17 3.678 24.205 16.362 1.00 45.11 C ATOM 228 C ILE A 17 2.505 24.977 16.955 1.00 34.45 C ATOM 229 O ILE A 17 2.653 26.121 17.383 1.00 44.31 O ATOM 230 CB ILE A 17 4.428 23.480 17.496 1.00 52.44 C ATOM 231 CG1 ILE A 17 3.553 22.374 18.088 1.00 23.35 C ATOM 232 CG2 ILE A 17 4.842 24.470 18.574 1.00 3.30 C ATOM 233 CD1 ILE A 17 4.183 21.676 19.274 1.00 14.10 C ATOM 0 H ILE A 17 5.119 25.720 16.198 1.00 32.31 H new ATOM 0 HA ILE A 17 3.303 23.465 15.655 1.00 45.11 H new ATOM 0 HB ILE A 17 5.328 23.024 17.084 1.00 52.44 H new ATOM 0 HG12 ILE A 17 2.598 22.801 18.393 1.00 23.35 H new ATOM 0 HG13 ILE A 17 3.340 21.637 17.314 1.00 23.35 H new ATOM 0 HG21 ILE A 17 5.371 23.943 19.368 1.00 3.30 H new ATOM 0 HG22 ILE A 17 5.497 25.226 18.141 1.00 3.30 H new ATOM 0 HG23 ILE A 17 3.955 24.951 18.986 1.00 3.30 H new ATOM 0 HD11 ILE A 17 3.508 20.904 19.643 1.00 14.10 H new ATOM 0 HD12 ILE A 17 5.124 21.219 18.969 1.00 14.10 H new ATOM 0 HD13 ILE A 17 4.371 22.402 20.065 1.00 14.10 H new ATOM 245 N SER A 18 1.338 24.341 16.980 1.00 34.22 N ATOM 246 CA SER A 18 0.137 24.968 17.520 1.00 72.11 C ATOM 247 C SER A 18 -0.457 24.126 18.645 1.00 23.03 C ATOM 248 O SER A 18 -1.503 23.494 18.497 1.00 11.42 O ATOM 249 CB SER A 18 -0.902 25.166 16.414 1.00 44.21 C ATOM 250 OG SER A 18 -0.278 25.450 15.174 1.00 42.33 O ATOM 0 H SER A 18 1.199 23.392 16.633 1.00 34.22 H new ATOM 0 HA SER A 18 0.416 25.940 17.926 1.00 72.11 H new ATOM 0 HB2 SER A 18 -1.513 24.269 16.320 1.00 44.21 H new ATOM 0 HB3 SER A 18 -1.573 25.982 16.683 1.00 44.21 H new ATOM 0 HG SER A 18 -0.963 25.571 14.483 1.00 42.33 H new ATOM 256 N PRO A 19 0.227 24.116 19.799 1.00 21.22 N ATOM 257 CA PRO A 19 -0.213 23.356 20.973 1.00 2.44 C ATOM 258 C PRO A 19 -1.467 23.946 21.609 1.00 53.34 C ATOM 259 O PRO A 19 -1.809 25.105 21.369 1.00 35.40 O ATOM 260 CB PRO A 19 0.975 23.467 21.933 1.00 71.03 C ATOM 261 CG PRO A 19 1.668 24.724 21.534 1.00 63.32 C ATOM 262 CD PRO A 19 1.482 24.845 20.047 1.00 41.34 C ATOM 0 HA PRO A 19 -0.479 22.330 20.718 1.00 2.44 H new ATOM 0 HB2 PRO A 19 0.643 23.510 22.970 1.00 71.03 H new ATOM 0 HB3 PRO A 19 1.637 22.605 21.846 1.00 71.03 H new ATOM 0 HG2 PRO A 19 1.244 25.585 22.052 1.00 63.32 H new ATOM 0 HG3 PRO A 19 2.726 24.686 21.793 1.00 63.32 H new ATOM 0 HD2 PRO A 19 1.410 25.887 19.735 1.00 41.34 H new ATOM 0 HD3 PRO A 19 2.317 24.406 19.501 1.00 41.34 H new ATOM 270 N ILE A 20 -2.148 23.143 22.419 1.00 72.02 N ATOM 271 CA ILE A 20 -3.364 23.587 23.089 1.00 1.13 C ATOM 272 C ILE A 20 -3.379 23.146 24.549 1.00 51.10 C ATOM 273 O ILE A 20 -3.021 22.014 24.869 1.00 21.34 O ATOM 274 CB ILE A 20 -4.624 23.045 22.388 1.00 44.40 C ATOM 275 CG1 ILE A 20 -5.872 23.755 22.915 1.00 53.51 C ATOM 276 CG2 ILE A 20 -4.737 21.542 22.590 1.00 34.15 C ATOM 277 CD1 ILE A 20 -6.809 24.221 21.822 1.00 1.22 C ATOM 0 H ILE A 20 -1.878 22.182 22.627 1.00 72.02 H new ATOM 0 HA ILE A 20 -3.371 24.676 23.040 1.00 1.13 H new ATOM 0 HB ILE A 20 -4.541 23.242 21.319 1.00 44.40 H new ATOM 0 HG12 ILE A 20 -6.410 23.080 23.581 1.00 53.51 H new ATOM 0 HG13 ILE A 20 -5.567 24.615 23.512 1.00 53.51 H new ATOM 0 HG21 ILE A 20 -5.632 21.174 22.089 1.00 34.15 H new ATOM 0 HG22 ILE A 20 -3.859 21.051 22.171 1.00 34.15 H new ATOM 0 HG23 ILE A 20 -4.801 21.322 23.656 1.00 34.15 H new ATOM 0 HD11 ILE A 20 -7.672 24.715 22.269 1.00 1.22 H new ATOM 0 HD12 ILE A 20 -6.287 24.921 21.169 1.00 1.22 H new ATOM 0 HD13 ILE A 20 -7.144 23.363 21.240 1.00 1.22 H new ATOM 289 N ASN A 21 -3.798 24.049 25.430 1.00 71.12 N ATOM 290 CA ASN A 21 -3.862 23.753 26.856 1.00 24.44 C ATOM 291 C ASN A 21 -5.247 23.247 27.246 1.00 73.22 C ATOM 292 O ASN A 21 -6.200 24.022 27.341 1.00 22.42 O ATOM 293 CB ASN A 21 -3.513 24.999 27.673 1.00 31.42 C ATOM 294 CG ASN A 21 -4.226 26.238 27.169 1.00 13.43 C ATOM 295 OD1 ASN A 21 -5.313 26.577 27.639 1.00 61.15 O ATOM 296 ND2 ASN A 21 -3.616 26.922 26.208 1.00 11.22 N ATOM 0 H ASN A 21 -4.098 24.992 25.181 1.00 71.12 H new ATOM 0 HA ASN A 21 -3.135 22.970 27.071 1.00 24.44 H new ATOM 0 HB2 ASN A 21 -3.776 24.831 28.717 1.00 31.42 H new ATOM 0 HB3 ASN A 21 -2.436 25.163 27.638 1.00 31.42 H new ATOM 0 HD21 ASN A 21 -4.048 27.765 25.829 1.00 11.22 H new ATOM 0 HD22 ASN A 21 -2.716 26.604 25.848 1.00 11.22 H new ATOM 303 N THR A 22 -5.353 21.941 27.471 1.00 60.33 N ATOM 304 CA THR A 22 -6.621 21.331 27.849 1.00 32.52 C ATOM 305 C THR A 22 -6.454 20.420 29.061 1.00 43.54 C ATOM 306 O THR A 22 -5.351 19.962 29.357 1.00 40.44 O ATOM 307 CB THR A 22 -7.221 20.515 26.688 1.00 11.30 C ATOM 308 OG1 THR A 22 -6.914 21.143 25.438 1.00 1.54 O ATOM 309 CG2 THR A 22 -8.729 20.387 26.840 1.00 73.14 C ATOM 0 H THR A 22 -4.575 21.285 27.398 1.00 60.33 H new ATOM 0 HA THR A 22 -7.300 22.146 28.100 1.00 32.52 H new ATOM 0 HB THR A 22 -6.783 19.517 26.710 1.00 11.30 H new ATOM 0 HG1 THR A 22 -7.297 20.617 24.705 1.00 1.54 H new ATOM 0 HG21 THR A 22 -9.131 19.807 26.009 1.00 73.14 H new ATOM 0 HG22 THR A 22 -8.959 19.883 27.779 1.00 73.14 H new ATOM 0 HG23 THR A 22 -9.180 21.379 26.841 1.00 73.14 H new ATOM 317 N ASN A 23 -7.555 20.162 29.758 1.00 54.03 N ATOM 318 CA ASN A 23 -7.530 19.306 30.938 1.00 62.31 C ATOM 319 C ASN A 23 -8.180 17.957 30.646 1.00 73.04 C ATOM 320 O ASN A 23 -9.212 17.886 29.977 1.00 11.12 O ATOM 321 CB ASN A 23 -8.247 19.988 32.105 1.00 42.25 C ATOM 322 CG ASN A 23 -7.930 21.469 32.192 1.00 65.43 C ATOM 323 OD1 ASN A 23 -8.821 22.296 32.382 1.00 73.31 O ATOM 324 ND2 ASN A 23 -6.654 21.809 32.052 1.00 4.31 N ATOM 0 H ASN A 23 -8.476 20.534 29.526 1.00 54.03 H new ATOM 0 HA ASN A 23 -6.488 19.136 31.210 1.00 62.31 H new ATOM 0 HB2 ASN A 23 -9.323 19.855 31.994 1.00 42.25 H new ATOM 0 HB3 ASN A 23 -7.960 19.502 33.038 1.00 42.25 H new ATOM 0 HD21 ASN A 23 -6.379 22.790 32.101 1.00 4.31 H new ATOM 0 HD22 ASN A 23 -5.949 21.089 31.896 1.00 4.31 H new ATOM 331 N ILE A 24 -7.570 16.890 31.151 1.00 15.21 N ATOM 332 CA ILE A 24 -8.091 15.544 30.946 1.00 51.42 C ATOM 333 C ILE A 24 -8.177 14.781 32.263 1.00 13.32 C ATOM 334 O ILE A 24 -7.448 15.073 33.210 1.00 40.21 O ATOM 335 CB ILE A 24 -7.217 14.747 29.960 1.00 71.11 C ATOM 336 CG1 ILE A 24 -5.806 14.568 30.525 1.00 53.35 C ATOM 337 CG2 ILE A 24 -7.168 15.447 28.610 1.00 75.52 C ATOM 338 CD1 ILE A 24 -4.936 13.649 29.696 1.00 1.23 C ATOM 0 H ILE A 24 -6.715 16.931 31.705 1.00 15.21 H new ATOM 0 HA ILE A 24 -9.091 15.653 30.527 1.00 51.42 H new ATOM 0 HB ILE A 24 -7.660 13.761 29.820 1.00 71.11 H new ATOM 0 HG12 ILE A 24 -5.325 15.544 30.596 1.00 53.35 H new ATOM 0 HG13 ILE A 24 -5.876 14.172 31.538 1.00 53.35 H new ATOM 0 HG21 ILE A 24 -6.546 14.871 27.924 1.00 75.52 H new ATOM 0 HG22 ILE A 24 -8.177 15.527 28.205 1.00 75.52 H new ATOM 0 HG23 ILE A 24 -6.746 16.444 28.732 1.00 75.52 H new ATOM 0 HD11 ILE A 24 -3.951 13.568 30.155 1.00 1.23 H new ATOM 0 HD12 ILE A 24 -5.395 12.661 29.645 1.00 1.23 H new ATOM 0 HD13 ILE A 24 -4.835 14.054 28.689 1.00 1.23 H new ATOM 350 N ASN A 25 -9.073 13.801 32.315 1.00 31.24 N ATOM 351 CA ASN A 25 -9.254 12.994 33.517 1.00 70.03 C ATOM 352 C ASN A 25 -9.709 11.582 33.160 1.00 25.12 C ATOM 353 O ASN A 25 -10.465 11.382 32.209 1.00 1.01 O ATOM 354 CB ASN A 25 -10.275 13.650 34.448 1.00 0.52 C ATOM 355 CG ASN A 25 -9.708 13.922 35.828 1.00 22.33 C ATOM 356 OD1 ASN A 25 -9.736 15.054 36.312 1.00 63.44 O ATOM 357 ND2 ASN A 25 -9.189 12.881 36.470 1.00 72.14 N ATOM 0 H ASN A 25 -9.685 13.546 31.540 1.00 31.24 H new ATOM 0 HA ASN A 25 -8.294 12.929 34.029 1.00 70.03 H new ATOM 0 HB2 ASN A 25 -10.615 14.587 34.007 1.00 0.52 H new ATOM 0 HB3 ASN A 25 -11.148 13.004 34.538 1.00 0.52 H new ATOM 0 HD21 ASN A 25 -8.793 13.002 37.402 1.00 72.14 H new ATOM 0 HD22 ASN A 25 -9.187 11.960 36.031 1.00 72.14 H new ATOM 364 N THR A 26 -9.242 10.604 33.931 1.00 75.33 N ATOM 365 CA THR A 26 -9.600 9.210 33.697 1.00 41.33 C ATOM 366 C THR A 26 -8.895 8.662 32.462 1.00 63.24 C ATOM 367 O THR A 26 -8.017 7.804 32.564 1.00 71.21 O ATOM 368 CB THR A 26 -11.121 9.042 33.523 1.00 51.25 C ATOM 369 OG1 THR A 26 -11.816 9.911 34.424 1.00 34.41 O ATOM 370 CG2 THR A 26 -11.539 7.601 33.775 1.00 44.31 C ATOM 0 H THR A 26 -8.615 10.752 34.722 1.00 75.33 H new ATOM 0 HA THR A 26 -9.278 8.649 34.575 1.00 41.33 H new ATOM 0 HB THR A 26 -11.378 9.303 32.497 1.00 51.25 H new ATOM 0 HG1 THR A 26 -12.782 9.799 34.306 1.00 34.41 H new ATOM 0 HG21 THR A 26 -12.617 7.507 33.646 1.00 44.31 H new ATOM 0 HG22 THR A 26 -11.031 6.946 33.068 1.00 44.31 H new ATOM 0 HG23 THR A 26 -11.269 7.316 34.792 1.00 44.31 H new ATOM 378 N THR A 27 -9.283 9.162 31.293 1.00 41.43 N ATOM 379 CA THR A 27 -8.688 8.722 30.037 1.00 12.12 C ATOM 380 C THR A 27 -9.204 9.548 28.865 1.00 54.13 C ATOM 381 O THR A 27 -10.335 9.365 28.413 1.00 62.41 O ATOM 382 CB THR A 27 -8.979 7.233 29.769 1.00 13.43 C ATOM 383 OG1 THR A 27 -10.006 6.768 30.652 1.00 11.44 O ATOM 384 CG2 THR A 27 -7.724 6.394 29.956 1.00 12.43 C ATOM 0 H THR A 27 -10.007 9.873 31.190 1.00 41.43 H new ATOM 0 HA THR A 27 -7.611 8.863 30.131 1.00 12.12 H new ATOM 0 HB THR A 27 -9.314 7.131 28.737 1.00 13.43 H new ATOM 0 HG1 THR A 27 -10.186 5.821 30.474 1.00 11.44 H new ATOM 0 HG21 THR A 27 -7.954 5.347 29.761 1.00 12.43 H new ATOM 0 HG22 THR A 27 -6.954 6.731 29.262 1.00 12.43 H new ATOM 0 HG23 THR A 27 -7.363 6.502 30.979 1.00 12.43 H new ATOM 392 N VAL A 28 -8.369 10.459 28.375 1.00 61.42 N ATOM 393 CA VAL A 28 -8.741 11.312 27.253 1.00 44.13 C ATOM 394 C VAL A 28 -7.549 11.563 26.335 1.00 54.11 C ATOM 395 O VAL A 28 -6.397 11.472 26.758 1.00 41.04 O ATOM 396 CB VAL A 28 -9.296 12.665 27.736 1.00 20.13 C ATOM 397 CG1 VAL A 28 -9.981 13.400 26.594 1.00 0.15 C ATOM 398 CG2 VAL A 28 -10.253 12.462 28.901 1.00 73.41 C ATOM 0 H VAL A 28 -7.430 10.625 28.738 1.00 61.42 H new ATOM 0 HA VAL A 28 -9.519 10.786 26.699 1.00 44.13 H new ATOM 0 HB VAL A 28 -8.463 13.277 28.082 1.00 20.13 H new ATOM 0 HG11 VAL A 28 -10.367 14.354 26.954 1.00 0.15 H new ATOM 0 HG12 VAL A 28 -9.263 13.578 25.793 1.00 0.15 H new ATOM 0 HG13 VAL A 28 -10.805 12.796 26.215 1.00 0.15 H new ATOM 0 HG21 VAL A 28 -10.636 13.428 29.230 1.00 73.41 H new ATOM 0 HG22 VAL A 28 -11.084 11.831 28.584 1.00 73.41 H new ATOM 0 HG23 VAL A 28 -9.726 11.981 29.725 1.00 73.41 H new ATOM 408 N SER A 29 -7.836 11.880 25.076 1.00 4.02 N ATOM 409 CA SER A 29 -6.788 12.141 24.096 1.00 4.35 C ATOM 410 C SER A 29 -6.745 13.621 23.729 1.00 44.34 C ATOM 411 O SER A 29 -7.772 14.228 23.426 1.00 51.43 O ATOM 412 CB SER A 29 -7.013 11.298 22.840 1.00 51.21 C ATOM 413 OG SER A 29 -8.379 10.948 22.699 1.00 51.52 O ATOM 0 H SER A 29 -8.785 11.962 24.711 1.00 4.02 H new ATOM 0 HA SER A 29 -5.832 11.867 24.541 1.00 4.35 H new ATOM 0 HB2 SER A 29 -6.684 11.853 21.962 1.00 51.21 H new ATOM 0 HB3 SER A 29 -6.406 10.394 22.891 1.00 51.21 H new ATOM 0 HG SER A 29 -8.497 10.411 21.888 1.00 51.52 H new ATOM 419 N LYS A 30 -5.547 14.197 23.757 1.00 34.03 N ATOM 420 CA LYS A 30 -5.367 15.605 23.426 1.00 11.52 C ATOM 421 C LYS A 30 -4.910 15.770 21.980 1.00 13.32 C ATOM 422 O LYS A 30 -3.834 15.307 21.604 1.00 73.22 O ATOM 423 CB LYS A 30 -4.347 16.246 24.371 1.00 52.05 C ATOM 424 CG LYS A 30 -4.880 17.464 25.105 1.00 44.32 C ATOM 425 CD LYS A 30 -5.883 17.075 26.178 1.00 64.43 C ATOM 426 CE LYS A 30 -7.313 17.200 25.676 1.00 41.52 C ATOM 427 NZ LYS A 30 -8.014 15.887 25.663 1.00 62.42 N ATOM 0 H LYS A 30 -4.686 13.709 24.006 1.00 34.03 H new ATOM 0 HA LYS A 30 -6.328 16.106 23.544 1.00 11.52 H new ATOM 0 HB2 LYS A 30 -4.025 15.504 25.102 1.00 52.05 H new ATOM 0 HB3 LYS A 30 -3.465 16.534 23.799 1.00 52.05 H new ATOM 0 HG2 LYS A 30 -4.052 18.007 25.560 1.00 44.32 H new ATOM 0 HG3 LYS A 30 -5.352 18.141 24.393 1.00 44.32 H new ATOM 0 HD2 LYS A 30 -5.697 16.050 26.497 1.00 64.43 H new ATOM 0 HD3 LYS A 30 -5.746 17.711 27.053 1.00 64.43 H new ATOM 0 HE2 LYS A 30 -7.861 17.897 26.310 1.00 41.52 H new ATOM 0 HE3 LYS A 30 -7.309 17.619 24.670 1.00 41.52 H new ATOM 0 HZ1 LYS A 30 -8.284 15.647 24.688 1.00 62.42 H new ATOM 0 HZ2 LYS A 30 -7.381 15.152 26.037 1.00 62.42 H new ATOM 0 HZ3 LYS A 30 -8.867 15.943 26.255 1.00 62.42 H new ATOM 441 N GLN A 31 -5.735 16.434 21.176 1.00 5.11 N ATOM 442 CA GLN A 31 -5.413 16.660 19.772 1.00 55.12 C ATOM 443 C GLN A 31 -4.481 17.856 19.612 1.00 10.33 C ATOM 444 O GLN A 31 -4.834 18.983 19.963 1.00 24.43 O ATOM 445 CB GLN A 31 -6.693 16.884 18.964 1.00 0.40 C ATOM 446 CG GLN A 31 -6.448 17.497 17.595 1.00 52.24 C ATOM 447 CD GLN A 31 -5.415 16.734 16.790 1.00 62.11 C ATOM 448 OE1 GLN A 31 -4.548 17.328 16.148 1.00 51.10 O ATOM 449 NE2 GLN A 31 -5.501 15.409 16.820 1.00 10.11 N ATOM 0 H GLN A 31 -6.630 16.824 21.472 1.00 5.11 H new ATOM 0 HA GLN A 31 -4.903 15.773 19.395 1.00 55.12 H new ATOM 0 HB2 GLN A 31 -7.206 15.930 18.839 1.00 0.40 H new ATOM 0 HB3 GLN A 31 -7.361 17.534 19.530 1.00 0.40 H new ATOM 0 HG2 GLN A 31 -7.386 17.526 17.041 1.00 52.24 H new ATOM 0 HG3 GLN A 31 -6.118 18.529 17.717 1.00 52.24 H new ATOM 0 HE21 GLN A 31 -6.235 14.958 17.365 1.00 10.11 H new ATOM 0 HE22 GLN A 31 -4.833 14.843 16.298 1.00 10.11 H new ATOM 458 N PHE A 32 -3.289 17.605 19.081 1.00 32.41 N ATOM 459 CA PHE A 32 -2.305 18.661 18.876 1.00 21.23 C ATOM 460 C PHE A 32 -1.986 18.827 17.393 1.00 10.04 C ATOM 461 O PHE A 32 -2.090 17.879 16.614 1.00 13.34 O ATOM 462 CB PHE A 32 -1.024 18.351 19.653 1.00 22.14 C ATOM 463 CG PHE A 32 -1.213 18.345 21.143 1.00 32.54 C ATOM 464 CD1 PHE A 32 -2.014 19.294 21.757 1.00 32.23 C ATOM 465 CD2 PHE A 32 -0.590 17.389 21.930 1.00 3.41 C ATOM 466 CE1 PHE A 32 -2.191 19.291 23.128 1.00 21.52 C ATOM 467 CE2 PHE A 32 -0.763 17.381 23.301 1.00 30.12 C ATOM 468 CZ PHE A 32 -1.564 18.333 23.901 1.00 4.32 C ATOM 0 H PHE A 32 -2.981 16.679 18.785 1.00 32.41 H new ATOM 0 HA PHE A 32 -2.729 19.595 19.245 1.00 21.23 H new ATOM 0 HB2 PHE A 32 -0.645 17.379 19.339 1.00 22.14 H new ATOM 0 HB3 PHE A 32 -0.264 19.088 19.394 1.00 22.14 H new ATOM 0 HD1 PHE A 32 -2.506 20.045 21.157 1.00 32.23 H new ATOM 0 HD2 PHE A 32 0.038 16.642 21.467 1.00 3.41 H new ATOM 0 HE1 PHE A 32 -2.818 20.036 23.594 1.00 21.52 H new ATOM 0 HE2 PHE A 32 -0.272 16.631 23.903 1.00 30.12 H new ATOM 0 HZ PHE A 32 -1.700 18.328 24.972 1.00 4.32 H new ATOM 478 N PHE A 33 -1.597 20.039 17.010 1.00 34.41 N ATOM 479 CA PHE A 33 -1.265 20.331 15.621 1.00 64.13 C ATOM 480 C PHE A 33 0.206 20.715 15.483 1.00 53.11 C ATOM 481 O PHE A 33 0.746 21.451 16.308 1.00 52.41 O ATOM 482 CB PHE A 33 -2.150 21.459 15.088 1.00 13.24 C ATOM 483 CG PHE A 33 -3.383 20.971 14.383 1.00 53.41 C ATOM 484 CD1 PHE A 33 -3.358 20.696 13.025 1.00 4.13 C ATOM 485 CD2 PHE A 33 -4.568 20.789 15.077 1.00 33.35 C ATOM 486 CE1 PHE A 33 -4.490 20.247 12.373 1.00 34.41 C ATOM 487 CE2 PHE A 33 -5.704 20.339 14.431 1.00 50.12 C ATOM 488 CZ PHE A 33 -5.665 20.069 13.077 1.00 74.02 C ATOM 0 H PHE A 33 -1.504 20.834 17.642 1.00 34.41 H new ATOM 0 HA PHE A 33 -1.445 19.430 15.034 1.00 64.13 H new ATOM 0 HB2 PHE A 33 -2.446 22.101 15.918 1.00 13.24 H new ATOM 0 HB3 PHE A 33 -1.568 22.073 14.401 1.00 13.24 H new ATOM 0 HD1 PHE A 33 -2.442 20.834 12.470 1.00 4.13 H new ATOM 0 HD2 PHE A 33 -4.605 21.001 16.135 1.00 33.35 H new ATOM 0 HE1 PHE A 33 -4.456 20.035 11.314 1.00 34.41 H new ATOM 0 HE2 PHE A 33 -6.621 20.199 14.984 1.00 50.12 H new ATOM 0 HZ PHE A 33 -6.552 19.719 12.570 1.00 74.02 H new ATOM 498 N ALA A 34 0.847 20.210 14.434 1.00 2.22 N ATOM 499 CA ALA A 34 2.254 20.501 14.187 1.00 51.03 C ATOM 500 C ALA A 34 2.526 20.665 12.695 1.00 4.13 C ATOM 501 O ALA A 34 2.413 19.712 11.925 1.00 72.24 O ATOM 502 CB ALA A 34 3.130 19.401 14.767 1.00 3.25 C ATOM 0 H ALA A 34 0.415 19.598 13.742 1.00 2.22 H new ATOM 0 HA ALA A 34 2.497 21.442 14.680 1.00 51.03 H new ATOM 0 HB1 ALA A 34 4.178 19.631 14.575 1.00 3.25 H new ATOM 0 HB2 ALA A 34 2.964 19.333 15.842 1.00 3.25 H new ATOM 0 HB3 ALA A 34 2.876 18.449 14.300 1.00 3.25 H new ATOM 508 N VAL A 35 2.886 21.880 12.294 1.00 10.33 N ATOM 509 CA VAL A 35 3.175 22.169 10.895 1.00 41.23 C ATOM 510 C VAL A 35 4.668 22.384 10.675 1.00 64.20 C ATOM 511 O VAL A 35 5.332 23.056 11.463 1.00 41.22 O ATOM 512 CB VAL A 35 2.412 23.416 10.410 1.00 74.35 C ATOM 513 CG1 VAL A 35 2.554 23.577 8.904 1.00 70.13 C ATOM 514 CG2 VAL A 35 0.946 23.331 10.809 1.00 41.32 C ATOM 0 H VAL A 35 2.984 22.680 12.919 1.00 10.33 H new ATOM 0 HA VAL A 35 2.846 21.304 10.319 1.00 41.23 H new ATOM 0 HB VAL A 35 2.845 24.295 10.888 1.00 74.35 H new ATOM 0 HG11 VAL A 35 2.008 24.463 8.580 1.00 70.13 H new ATOM 0 HG12 VAL A 35 3.608 23.686 8.647 1.00 70.13 H new ATOM 0 HG13 VAL A 35 2.148 22.698 8.404 1.00 70.13 H new ATOM 0 HG21 VAL A 35 0.421 24.220 10.459 1.00 41.32 H new ATOM 0 HG22 VAL A 35 0.498 22.445 10.360 1.00 41.32 H new ATOM 0 HG23 VAL A 35 0.867 23.268 11.894 1.00 41.32 H new ATOM 524 N GLY A 36 5.191 21.807 9.597 1.00 44.31 N ATOM 525 CA GLY A 36 6.603 21.947 9.292 1.00 3.40 C ATOM 526 C GLY A 36 6.845 22.694 7.995 1.00 0.44 C ATOM 527 O GLY A 36 6.137 22.488 7.009 1.00 62.20 O ATOM 0 H GLY A 36 4.662 21.245 8.930 1.00 44.31 H new ATOM 0 HA2 GLY A 36 7.097 22.473 10.108 1.00 3.40 H new ATOM 0 HA3 GLY A 36 7.058 20.958 9.229 1.00 3.40 H new ATOM 531 N THR A 37 7.847 23.568 7.995 1.00 24.22 N ATOM 532 CA THR A 37 8.179 24.351 6.811 1.00 31.54 C ATOM 533 C THR A 37 9.549 23.966 6.264 1.00 13.10 C ATOM 534 O THR A 37 10.565 24.124 6.941 1.00 41.12 O ATOM 535 CB THR A 37 8.165 25.861 7.114 1.00 21.34 C ATOM 536 OG1 THR A 37 6.917 26.229 7.713 1.00 63.04 O ATOM 537 CG2 THR A 37 8.383 26.669 5.844 1.00 13.44 C ATOM 0 H THR A 37 8.443 23.751 8.802 1.00 24.22 H new ATOM 0 HA THR A 37 7.417 24.131 6.063 1.00 31.54 H new ATOM 0 HB THR A 37 8.977 26.078 7.807 1.00 21.34 H new ATOM 0 HG1 THR A 37 6.917 27.190 7.904 1.00 63.04 H new ATOM 0 HG21 THR A 37 8.369 27.732 6.083 1.00 13.44 H new ATOM 0 HG22 THR A 37 9.347 26.408 5.407 1.00 13.44 H new ATOM 0 HG23 THR A 37 7.589 26.447 5.131 1.00 13.44 H new ATOM 545 N TYR A 38 9.569 23.462 5.035 1.00 22.45 N ATOM 546 CA TYR A 38 10.815 23.053 4.398 1.00 61.13 C ATOM 547 C TYR A 38 11.607 24.267 3.921 1.00 20.23 C ATOM 548 O TYR A 38 11.032 25.272 3.503 1.00 24.22 O ATOM 549 CB TYR A 38 10.527 22.123 3.218 1.00 25.41 C ATOM 550 CG TYR A 38 10.476 20.660 3.599 1.00 42.23 C ATOM 551 CD1 TYR A 38 11.633 19.892 3.639 1.00 23.12 C ATOM 552 CD2 TYR A 38 9.271 20.046 3.917 1.00 41.52 C ATOM 553 CE1 TYR A 38 11.591 18.555 3.986 1.00 44.24 C ATOM 554 CE2 TYR A 38 9.220 18.711 4.266 1.00 71.12 C ATOM 555 CZ TYR A 38 10.383 17.969 4.299 1.00 55.54 C ATOM 556 OH TYR A 38 10.336 16.638 4.644 1.00 15.43 O ATOM 0 H TYR A 38 8.737 23.327 4.460 1.00 22.45 H new ATOM 0 HA TYR A 38 11.413 22.519 5.136 1.00 61.13 H new ATOM 0 HB2 TYR A 38 9.576 22.406 2.767 1.00 25.41 H new ATOM 0 HB3 TYR A 38 11.295 22.265 2.458 1.00 25.41 H new ATOM 0 HD1 TYR A 38 12.581 20.348 3.395 1.00 23.12 H new ATOM 0 HD2 TYR A 38 8.358 20.623 3.891 1.00 41.52 H new ATOM 0 HE1 TYR A 38 12.500 17.972 4.012 1.00 44.24 H new ATOM 0 HE2 TYR A 38 8.275 18.250 4.512 1.00 71.12 H new ATOM 0 HH TYR A 38 9.410 16.382 4.836 1.00 15.43 H new ATOM 566 N SER A 39 12.931 24.165 3.987 1.00 33.25 N ATOM 567 CA SER A 39 13.803 25.254 3.566 1.00 3.52 C ATOM 568 C SER A 39 13.643 25.533 2.075 1.00 43.02 C ATOM 569 O SER A 39 14.055 26.583 1.580 1.00 21.34 O ATOM 570 CB SER A 39 15.262 24.918 3.880 1.00 4.02 C ATOM 571 OG SER A 39 16.096 26.050 3.703 1.00 63.12 O ATOM 0 H SER A 39 13.423 23.339 4.328 1.00 33.25 H new ATOM 0 HA SER A 39 13.517 26.149 4.118 1.00 3.52 H new ATOM 0 HB2 SER A 39 15.343 24.560 4.906 1.00 4.02 H new ATOM 0 HB3 SER A 39 15.600 24.109 3.232 1.00 4.02 H new ATOM 0 HG SER A 39 15.686 26.660 3.055 1.00 63.12 H new ATOM 577 N ASP A 40 13.043 24.585 1.364 1.00 54.33 N ATOM 578 CA ASP A 40 12.826 24.728 -0.071 1.00 64.55 C ATOM 579 C ASP A 40 11.781 25.800 -0.360 1.00 12.31 C ATOM 580 O ASP A 40 11.599 26.212 -1.505 1.00 13.23 O ATOM 581 CB ASP A 40 12.387 23.394 -0.677 1.00 70.43 C ATOM 582 CG ASP A 40 12.526 23.369 -2.187 1.00 1.53 C ATOM 583 OD1 ASP A 40 13.462 24.013 -2.707 1.00 72.21 O ATOM 584 OD2 ASP A 40 11.700 22.707 -2.848 1.00 32.43 O ATOM 0 H ASP A 40 12.698 23.709 1.758 1.00 54.33 H new ATOM 0 HA ASP A 40 13.768 25.034 -0.526 1.00 64.55 H new ATOM 0 HB2 ASP A 40 12.983 22.589 -0.247 1.00 70.43 H new ATOM 0 HB3 ASP A 40 11.349 23.200 -0.408 1.00 70.43 H new ATOM 589 N GLY A 41 11.095 26.248 0.688 1.00 41.24 N ATOM 590 CA GLY A 41 10.075 27.268 0.526 1.00 63.14 C ATOM 591 C GLY A 41 8.677 26.686 0.472 1.00 33.03 C ATOM 592 O GLY A 41 7.823 27.167 -0.274 1.00 2.11 O ATOM 0 H GLY A 41 11.228 25.923 1.646 1.00 41.24 H new ATOM 0 HA2 GLY A 41 10.139 27.976 1.352 1.00 63.14 H new ATOM 0 HA3 GLY A 41 10.268 27.828 -0.389 1.00 63.14 H new ATOM 596 N THR A 42 8.440 25.645 1.265 1.00 54.30 N ATOM 597 CA THR A 42 7.136 24.995 1.303 1.00 30.11 C ATOM 598 C THR A 42 6.653 24.814 2.738 1.00 45.13 C ATOM 599 O THR A 42 7.413 25.005 3.688 1.00 34.00 O ATOM 600 CB THR A 42 7.173 23.620 0.609 1.00 5.30 C ATOM 601 OG1 THR A 42 8.525 23.265 0.298 1.00 43.32 O ATOM 602 CG2 THR A 42 6.341 23.634 -0.664 1.00 44.14 C ATOM 0 H THR A 42 9.134 25.234 1.889 1.00 54.30 H new ATOM 0 HA THR A 42 6.443 25.645 0.769 1.00 30.11 H new ATOM 0 HB THR A 42 6.752 22.881 1.291 1.00 5.30 H new ATOM 0 HG1 THR A 42 8.540 22.389 -0.141 1.00 43.32 H new ATOM 0 HG21 THR A 42 6.382 22.653 -1.136 1.00 44.14 H new ATOM 0 HG22 THR A 42 5.307 23.876 -0.420 1.00 44.14 H new ATOM 0 HG23 THR A 42 6.737 24.383 -1.349 1.00 44.14 H new ATOM 610 N LYS A 43 5.386 24.444 2.889 1.00 42.24 N ATOM 611 CA LYS A 43 4.802 24.235 4.208 1.00 54.22 C ATOM 612 C LYS A 43 3.739 23.141 4.165 1.00 3.31 C ATOM 613 O LYS A 43 2.870 23.142 3.295 1.00 75.45 O ATOM 614 CB LYS A 43 4.188 25.537 4.728 1.00 32.24 C ATOM 615 CG LYS A 43 3.133 26.123 3.806 1.00 2.52 C ATOM 616 CD LYS A 43 1.734 25.932 4.366 1.00 33.41 C ATOM 617 CE LYS A 43 1.392 27.003 5.390 1.00 35.44 C ATOM 618 NZ LYS A 43 0.627 28.127 4.783 1.00 44.21 N ATOM 0 H LYS A 43 4.744 24.283 2.113 1.00 42.24 H new ATOM 0 HA LYS A 43 5.596 23.919 4.884 1.00 54.22 H new ATOM 0 HB2 LYS A 43 3.743 25.354 5.706 1.00 32.24 H new ATOM 0 HB3 LYS A 43 4.981 26.271 4.872 1.00 32.24 H new ATOM 0 HG2 LYS A 43 3.326 27.186 3.661 1.00 2.52 H new ATOM 0 HG3 LYS A 43 3.201 25.650 2.826 1.00 2.52 H new ATOM 0 HD2 LYS A 43 1.009 25.960 3.553 1.00 33.41 H new ATOM 0 HD3 LYS A 43 1.657 24.948 4.828 1.00 33.41 H new ATOM 0 HE2 LYS A 43 0.808 26.560 6.197 1.00 35.44 H new ATOM 0 HE3 LYS A 43 2.310 27.387 5.834 1.00 35.44 H new ATOM 0 HZ1 LYS A 43 0.413 28.836 5.513 1.00 44.21 H new ATOM 0 HZ2 LYS A 43 1.194 28.566 4.030 1.00 44.21 H new ATOM 0 HZ3 LYS A 43 -0.261 27.765 4.381 1.00 44.21 H new ATOM 632 N ALA A 44 3.816 22.211 5.111 1.00 13.34 N ATOM 633 CA ALA A 44 2.859 21.114 5.183 1.00 14.33 C ATOM 634 C ALA A 44 2.688 20.628 6.618 1.00 21.34 C ATOM 635 O ALA A 44 3.654 20.557 7.379 1.00 54.31 O ATOM 636 CB ALA A 44 3.300 19.969 4.285 1.00 63.25 C ATOM 0 H ALA A 44 4.531 22.195 5.838 1.00 13.34 H new ATOM 0 HA ALA A 44 1.894 21.483 4.835 1.00 14.33 H new ATOM 0 HB1 ALA A 44 2.576 19.157 4.349 1.00 63.25 H new ATOM 0 HB2 ALA A 44 3.363 20.318 3.254 1.00 63.25 H new ATOM 0 HB3 ALA A 44 4.277 19.610 4.607 1.00 63.25 H new ATOM 642 N ASP A 45 1.455 20.294 6.982 1.00 32.12 N ATOM 643 CA ASP A 45 1.158 19.813 8.327 1.00 51.43 C ATOM 644 C ASP A 45 1.798 18.450 8.570 1.00 13.22 C ATOM 645 O ASP A 45 1.288 17.424 8.118 1.00 23.33 O ATOM 646 CB ASP A 45 -0.354 19.726 8.538 1.00 74.13 C ATOM 647 CG ASP A 45 -1.094 20.896 7.919 1.00 1.03 C ATOM 648 OD1 ASP A 45 -0.525 22.008 7.887 1.00 32.32 O ATOM 649 OD2 ASP A 45 -2.241 20.700 7.467 1.00 41.03 O ATOM 0 H ASP A 45 0.645 20.347 6.365 1.00 32.12 H new ATOM 0 HA ASP A 45 1.576 20.523 9.041 1.00 51.43 H new ATOM 0 HB2 ASP A 45 -0.725 18.796 8.107 1.00 74.13 H new ATOM 0 HB3 ASP A 45 -0.567 19.689 9.606 1.00 74.13 H new ATOM 654 N LEU A 46 2.917 18.447 9.286 1.00 51.02 N ATOM 655 CA LEU A 46 3.628 17.210 9.589 1.00 72.31 C ATOM 656 C LEU A 46 3.839 17.057 11.092 1.00 75.01 C ATOM 657 O LEU A 46 4.538 17.855 11.717 1.00 54.53 O ATOM 658 CB LEU A 46 4.977 17.184 8.868 1.00 73.30 C ATOM 659 CG LEU A 46 4.983 16.544 7.479 1.00 23.43 C ATOM 660 CD1 LEU A 46 6.346 16.704 6.824 1.00 25.54 C ATOM 661 CD2 LEU A 46 4.601 15.073 7.568 1.00 43.30 C ATOM 0 H LEU A 46 3.351 19.287 9.668 1.00 51.02 H new ATOM 0 HA LEU A 46 3.020 16.376 9.239 1.00 72.31 H new ATOM 0 HB2 LEU A 46 5.337 18.209 8.776 1.00 73.30 H new ATOM 0 HB3 LEU A 46 5.691 16.651 9.495 1.00 73.30 H new ATOM 0 HG LEU A 46 4.244 17.054 6.861 1.00 23.43 H new ATOM 0 HD11 LEU A 46 6.332 16.243 5.837 1.00 25.54 H new ATOM 0 HD12 LEU A 46 6.580 17.764 6.726 1.00 25.54 H new ATOM 0 HD13 LEU A 46 7.104 16.220 7.439 1.00 25.54 H new ATOM 0 HD21 LEU A 46 4.610 14.634 6.571 1.00 43.30 H new ATOM 0 HD22 LEU A 46 5.316 14.549 8.202 1.00 43.30 H new ATOM 0 HD23 LEU A 46 3.602 14.982 7.995 1.00 43.30 H new ATOM 673 N THR A 47 3.231 16.024 11.668 1.00 52.24 N ATOM 674 CA THR A 47 3.352 15.765 13.097 1.00 43.53 C ATOM 675 C THR A 47 3.950 14.388 13.357 1.00 22.42 C ATOM 676 O THR A 47 4.358 14.079 14.477 1.00 43.13 O ATOM 677 CB THR A 47 1.987 15.862 13.803 1.00 10.03 C ATOM 678 OG1 THR A 47 1.360 17.110 13.488 1.00 15.02 O ATOM 679 CG2 THR A 47 2.148 15.736 15.311 1.00 74.33 C ATOM 0 H THR A 47 2.650 15.353 11.166 1.00 52.24 H new ATOM 0 HA THR A 47 4.016 16.528 13.502 1.00 43.53 H new ATOM 0 HB THR A 47 1.361 15.042 13.450 1.00 10.03 H new ATOM 0 HG1 THR A 47 0.573 17.234 14.059 1.00 15.02 H new ATOM 0 HG21 THR A 47 1.171 15.807 15.788 1.00 74.33 H new ATOM 0 HG22 THR A 47 2.599 14.773 15.550 1.00 74.33 H new ATOM 0 HG23 THR A 47 2.790 16.537 15.677 1.00 74.33 H new ATOM 687 N SER A 48 3.999 13.563 12.316 1.00 25.41 N ATOM 688 CA SER A 48 4.545 12.215 12.434 1.00 42.54 C ATOM 689 C SER A 48 6.070 12.244 12.414 1.00 25.45 C ATOM 690 O SER A 48 6.726 11.360 12.966 1.00 34.34 O ATOM 691 CB SER A 48 4.026 11.331 11.298 1.00 11.32 C ATOM 692 OG SER A 48 4.212 11.955 10.040 1.00 44.43 O ATOM 0 H SER A 48 3.668 13.804 11.382 1.00 25.41 H new ATOM 0 HA SER A 48 4.219 11.799 13.387 1.00 42.54 H new ATOM 0 HB2 SER A 48 4.545 10.373 11.312 1.00 11.32 H new ATOM 0 HB3 SER A 48 2.967 11.122 11.451 1.00 11.32 H new ATOM 0 HG SER A 48 3.874 11.369 9.331 1.00 44.43 H new ATOM 698 N SER A 49 6.629 13.266 11.775 1.00 42.03 N ATOM 699 CA SER A 49 8.077 13.409 11.679 1.00 23.24 C ATOM 700 C SER A 49 8.658 13.937 12.987 1.00 3.24 C ATOM 701 O SER A 49 9.682 13.450 13.467 1.00 44.43 O ATOM 702 CB SER A 49 8.444 14.348 10.529 1.00 53.40 C ATOM 703 OG SER A 49 9.844 14.365 10.310 1.00 74.20 O ATOM 0 H SER A 49 6.101 14.008 11.316 1.00 42.03 H new ATOM 0 HA SER A 49 8.502 12.425 11.483 1.00 23.24 H new ATOM 0 HB2 SER A 49 7.935 14.030 9.619 1.00 53.40 H new ATOM 0 HB3 SER A 49 8.096 15.356 10.754 1.00 53.40 H new ATOM 0 HG SER A 49 10.052 14.972 9.569 1.00 74.20 H new ATOM 709 N VAL A 50 7.996 14.938 13.560 1.00 24.43 N ATOM 710 CA VAL A 50 8.445 15.533 14.813 1.00 21.34 C ATOM 711 C VAL A 50 8.502 14.493 15.927 1.00 73.45 C ATOM 712 O VAL A 50 7.812 13.473 15.875 1.00 4.35 O ATOM 713 CB VAL A 50 7.522 16.686 15.250 1.00 75.45 C ATOM 714 CG1 VAL A 50 7.536 17.802 14.216 1.00 23.14 C ATOM 715 CG2 VAL A 50 6.106 16.177 15.477 1.00 70.04 C ATOM 0 H VAL A 50 7.147 15.353 13.176 1.00 24.43 H new ATOM 0 HA VAL A 50 9.446 15.926 14.635 1.00 21.34 H new ATOM 0 HB VAL A 50 7.894 17.090 16.191 1.00 75.45 H new ATOM 0 HG11 VAL A 50 6.878 18.608 14.542 1.00 23.14 H new ATOM 0 HG12 VAL A 50 8.551 18.184 14.106 1.00 23.14 H new ATOM 0 HG13 VAL A 50 7.189 17.415 13.258 1.00 23.14 H new ATOM 0 HG21 VAL A 50 5.467 17.004 15.785 1.00 70.04 H new ATOM 0 HG22 VAL A 50 5.722 15.747 14.552 1.00 70.04 H new ATOM 0 HG23 VAL A 50 6.114 15.415 16.256 1.00 70.04 H new ATOM 725 N THR A 51 9.328 14.756 16.934 1.00 0.41 N ATOM 726 CA THR A 51 9.476 13.843 18.060 1.00 12.34 C ATOM 727 C THR A 51 8.704 14.342 19.277 1.00 63.40 C ATOM 728 O THR A 51 8.729 15.530 19.595 1.00 5.43 O ATOM 729 CB THR A 51 10.956 13.661 18.445 1.00 62.31 C ATOM 730 OG1 THR A 51 11.797 14.020 17.343 1.00 54.03 O ATOM 731 CG2 THR A 51 11.235 12.222 18.854 1.00 4.44 C ATOM 0 H THR A 51 9.905 15.595 16.993 1.00 0.41 H new ATOM 0 HA THR A 51 9.070 12.882 17.744 1.00 12.34 H new ATOM 0 HB THR A 51 11.171 14.312 19.292 1.00 62.31 H new ATOM 0 HG1 THR A 51 11.806 14.995 17.242 1.00 54.03 H new ATOM 0 HG21 THR A 51 12.286 12.117 19.122 1.00 4.44 H new ATOM 0 HG22 THR A 51 10.615 11.961 19.711 1.00 4.44 H new ATOM 0 HG23 THR A 51 11.004 11.556 18.022 1.00 4.44 H new ATOM 739 N TRP A 52 8.020 13.426 19.953 1.00 24.13 N ATOM 740 CA TRP A 52 7.242 13.773 21.137 1.00 55.44 C ATOM 741 C TRP A 52 7.792 13.074 22.375 1.00 53.51 C ATOM 742 O TRP A 52 8.072 11.876 22.350 1.00 53.14 O ATOM 743 CB TRP A 52 5.773 13.398 20.934 1.00 73.20 C ATOM 744 CG TRP A 52 5.061 14.287 19.960 1.00 42.04 C ATOM 745 CD1 TRP A 52 5.198 14.289 18.601 1.00 75.53 C ATOM 746 CD2 TRP A 52 4.104 15.306 20.270 1.00 62.30 C ATOM 747 NE1 TRP A 52 4.383 15.247 18.048 1.00 72.14 N ATOM 748 CE2 TRP A 52 3.701 15.884 19.050 1.00 1.14 C ATOM 749 CE3 TRP A 52 3.547 15.784 21.459 1.00 50.11 C ATOM 750 CZ2 TRP A 52 2.768 16.916 18.989 1.00 65.03 C ATOM 751 CZ3 TRP A 52 2.622 16.809 21.396 1.00 73.51 C ATOM 752 CH2 TRP A 52 2.239 17.365 20.168 1.00 23.01 C ATOM 0 H TRP A 52 7.988 12.438 19.702 1.00 24.13 H new ATOM 0 HA TRP A 52 7.318 14.850 21.288 1.00 55.44 H new ATOM 0 HB2 TRP A 52 5.714 12.367 20.584 1.00 73.20 H new ATOM 0 HB3 TRP A 52 5.259 13.439 21.894 1.00 73.20 H new ATOM 0 HD1 TRP A 52 5.851 13.634 18.043 1.00 75.53 H new ATOM 0 HE1 TRP A 52 4.300 15.451 17.052 1.00 72.14 H new ATOM 0 HE3 TRP A 52 3.834 15.360 22.410 1.00 50.11 H new ATOM 0 HZ2 TRP A 52 2.472 17.347 18.044 1.00 65.03 H new ATOM 0 HZ3 TRP A 52 2.187 17.188 22.309 1.00 73.51 H new ATOM 0 HH2 TRP A 52 1.512 18.164 20.152 1.00 23.01 H new ATOM 763 N SER A 53 7.944 13.831 23.457 1.00 30.44 N ATOM 764 CA SER A 53 8.464 13.283 24.705 1.00 43.41 C ATOM 765 C SER A 53 7.695 13.834 25.902 1.00 23.11 C ATOM 766 O SER A 53 7.076 14.895 25.822 1.00 63.12 O ATOM 767 CB SER A 53 9.953 13.608 24.847 1.00 14.13 C ATOM 768 OG SER A 53 10.752 12.472 24.565 1.00 54.32 O ATOM 0 H SER A 53 7.715 14.824 23.495 1.00 30.44 H new ATOM 0 HA SER A 53 8.336 12.201 24.680 1.00 43.41 H new ATOM 0 HB2 SER A 53 10.217 14.420 24.169 1.00 14.13 H new ATOM 0 HB3 SER A 53 10.157 13.958 25.859 1.00 14.13 H new ATOM 0 HG SER A 53 11.699 12.706 24.661 1.00 54.32 H new ATOM 774 N SER A 54 7.740 13.104 27.012 1.00 14.22 N ATOM 775 CA SER A 54 7.044 13.516 28.226 1.00 3.10 C ATOM 776 C SER A 54 7.890 13.225 29.462 1.00 44.51 C ATOM 777 O SER A 54 8.750 12.345 29.446 1.00 22.20 O ATOM 778 CB SER A 54 5.697 12.799 28.336 1.00 44.01 C ATOM 779 OG SER A 54 4.656 13.712 28.637 1.00 44.34 O ATOM 0 H SER A 54 8.251 12.225 27.096 1.00 14.22 H new ATOM 0 HA SER A 54 6.872 14.591 28.169 1.00 3.10 H new ATOM 0 HB2 SER A 54 5.476 12.287 27.399 1.00 44.01 H new ATOM 0 HB3 SER A 54 5.750 12.035 29.112 1.00 44.01 H new ATOM 0 HG SER A 54 3.806 13.229 28.700 1.00 44.34 H new ATOM 785 N SER A 55 7.640 13.973 30.532 1.00 34.21 N ATOM 786 CA SER A 55 8.380 13.799 31.776 1.00 0.23 C ATOM 787 C SER A 55 8.443 12.326 32.170 1.00 44.43 C ATOM 788 O SER A 55 9.523 11.775 32.382 1.00 14.52 O ATOM 789 CB SER A 55 7.731 14.611 32.899 1.00 55.14 C ATOM 790 OG SER A 55 6.521 15.207 32.463 1.00 71.13 O ATOM 0 H SER A 55 6.931 14.705 30.562 1.00 34.21 H new ATOM 0 HA SER A 55 9.397 14.159 31.618 1.00 0.23 H new ATOM 0 HB2 SER A 55 7.534 13.963 33.753 1.00 55.14 H new ATOM 0 HB3 SER A 55 8.420 15.385 33.238 1.00 55.14 H new ATOM 0 HG SER A 55 6.149 15.758 33.183 1.00 71.13 H new ATOM 796 N ASN A 56 7.278 11.695 32.265 1.00 54.23 N ATOM 797 CA ASN A 56 7.199 10.286 32.633 1.00 2.31 C ATOM 798 C ASN A 56 6.731 9.441 31.453 1.00 62.53 C ATOM 799 O ASN A 56 5.857 9.852 30.691 1.00 72.23 O ATOM 800 CB ASN A 56 6.249 10.100 33.817 1.00 34.54 C ATOM 801 CG ASN A 56 6.174 11.331 34.699 1.00 50.33 C ATOM 802 OD1 ASN A 56 7.180 12.000 34.937 1.00 70.15 O ATOM 803 ND2 ASN A 56 4.978 11.637 35.188 1.00 31.23 N ATOM 0 H ASN A 56 6.375 12.137 32.092 1.00 54.23 H new ATOM 0 HA ASN A 56 8.197 9.954 32.921 1.00 2.31 H new ATOM 0 HB2 ASN A 56 5.252 9.862 33.445 1.00 34.54 H new ATOM 0 HB3 ASN A 56 6.579 9.249 34.413 1.00 34.54 H new ATOM 0 HD21 ASN A 56 4.866 12.455 35.787 1.00 31.23 H new ATOM 0 HD22 ASN A 56 4.171 11.054 34.965 1.00 31.23 H new ATOM 810 N GLN A 57 7.320 8.257 31.309 1.00 14.44 N ATOM 811 CA GLN A 57 6.963 7.354 30.222 1.00 53.12 C ATOM 812 C GLN A 57 5.563 6.784 30.425 1.00 55.44 C ATOM 813 O GLN A 57 5.001 6.158 29.526 1.00 33.45 O ATOM 814 CB GLN A 57 7.980 6.216 30.122 1.00 74.25 C ATOM 815 CG GLN A 57 8.706 6.165 28.787 1.00 31.31 C ATOM 816 CD GLN A 57 7.917 5.431 27.721 1.00 53.12 C ATOM 817 OE1 GLN A 57 7.522 4.280 27.906 1.00 20.53 O ATOM 818 NE2 GLN A 57 7.682 6.096 26.595 1.00 31.44 N ATOM 0 H GLN A 57 8.046 7.902 31.931 1.00 14.44 H new ATOM 0 HA GLN A 57 6.972 7.923 29.293 1.00 53.12 H new ATOM 0 HB2 GLN A 57 8.713 6.324 30.921 1.00 74.25 H new ATOM 0 HB3 GLN A 57 7.469 5.267 30.285 1.00 74.25 H new ATOM 0 HG2 GLN A 57 8.908 7.181 28.449 1.00 31.31 H new ATOM 0 HG3 GLN A 57 9.671 5.676 28.921 1.00 31.31 H new ATOM 0 HE21 GLN A 57 8.028 7.049 26.484 1.00 31.44 H new ATOM 0 HE22 GLN A 57 7.155 5.654 25.842 1.00 31.44 H new ATOM 827 N SER A 58 5.005 7.006 31.611 1.00 53.45 N ATOM 828 CA SER A 58 3.671 6.511 31.933 1.00 45.42 C ATOM 829 C SER A 58 2.615 7.192 31.067 1.00 24.30 C ATOM 830 O SER A 58 1.745 6.532 30.499 1.00 0.45 O ATOM 831 CB SER A 58 3.362 6.745 33.413 1.00 73.13 C ATOM 832 OG SER A 58 3.963 7.941 33.877 1.00 21.01 O ATOM 0 H SER A 58 5.456 7.525 32.365 1.00 53.45 H new ATOM 0 HA SER A 58 3.648 5.441 31.729 1.00 45.42 H new ATOM 0 HB2 SER A 58 2.283 6.796 33.559 1.00 73.13 H new ATOM 0 HB3 SER A 58 3.723 5.901 34.001 1.00 73.13 H new ATOM 0 HG SER A 58 3.749 8.068 34.825 1.00 21.01 H new ATOM 838 N GLN A 59 2.700 8.515 30.972 1.00 62.34 N ATOM 839 CA GLN A 59 1.752 9.285 30.176 1.00 53.00 C ATOM 840 C GLN A 59 2.342 9.636 28.814 1.00 20.32 C ATOM 841 O GLN A 59 1.673 10.233 27.972 1.00 53.20 O ATOM 842 CB GLN A 59 1.352 10.563 30.916 1.00 21.31 C ATOM 843 CG GLN A 59 1.183 10.370 32.415 1.00 44.24 C ATOM 844 CD GLN A 59 2.152 11.210 33.224 1.00 63.15 C ATOM 845 OE1 GLN A 59 1.786 11.787 34.248 1.00 42.23 O ATOM 846 NE2 GLN A 59 3.397 11.282 32.767 1.00 2.32 N ATOM 0 H GLN A 59 3.415 9.075 31.436 1.00 62.34 H new ATOM 0 HA GLN A 59 0.865 8.671 30.020 1.00 53.00 H new ATOM 0 HB2 GLN A 59 2.109 11.327 30.739 1.00 21.31 H new ATOM 0 HB3 GLN A 59 0.417 10.937 30.498 1.00 21.31 H new ATOM 0 HG2 GLN A 59 0.162 10.626 32.698 1.00 44.24 H new ATOM 0 HG3 GLN A 59 1.327 9.318 32.661 1.00 44.24 H new ATOM 0 HE21 GLN A 59 3.656 10.787 31.914 1.00 2.32 H new ATOM 0 HE22 GLN A 59 4.094 11.832 33.269 1.00 2.32 H new ATOM 855 N ALA A 60 3.600 9.260 28.606 1.00 53.35 N ATOM 856 CA ALA A 60 4.280 9.534 27.345 1.00 35.35 C ATOM 857 C ALA A 60 3.733 8.656 26.225 1.00 73.21 C ATOM 858 O ALA A 60 4.367 7.682 25.819 1.00 21.21 O ATOM 859 CB ALA A 60 5.779 9.325 27.498 1.00 32.45 C ATOM 0 H ALA A 60 4.168 8.765 29.293 1.00 53.35 H new ATOM 0 HA ALA A 60 4.095 10.575 27.079 1.00 35.35 H new ATOM 0 HB1 ALA A 60 6.274 9.533 26.549 1.00 32.45 H new ATOM 0 HB2 ALA A 60 6.164 9.999 28.264 1.00 32.45 H new ATOM 0 HB3 ALA A 60 5.975 8.293 27.791 1.00 32.45 H new ATOM 865 N LYS A 61 2.551 9.006 25.729 1.00 70.15 N ATOM 866 CA LYS A 61 1.918 8.251 24.654 1.00 72.30 C ATOM 867 C LYS A 61 1.447 9.180 23.540 1.00 42.12 C ATOM 868 O LYS A 61 0.886 10.244 23.801 1.00 44.51 O ATOM 869 CB LYS A 61 0.734 7.447 25.197 1.00 53.35 C ATOM 870 CG LYS A 61 0.729 5.995 24.752 1.00 40.14 C ATOM 871 CD LYS A 61 1.567 5.126 25.675 1.00 53.32 C ATOM 872 CE LYS A 61 0.887 4.926 27.021 1.00 51.24 C ATOM 873 NZ LYS A 61 0.420 3.524 27.203 1.00 54.01 N ATOM 0 H LYS A 61 2.012 9.808 26.055 1.00 70.15 H new ATOM 0 HA LYS A 61 2.658 7.565 24.242 1.00 72.30 H new ATOM 0 HB2 LYS A 61 0.749 7.484 26.286 1.00 53.35 H new ATOM 0 HB3 LYS A 61 -0.194 7.920 24.875 1.00 53.35 H new ATOM 0 HG2 LYS A 61 -0.295 5.623 24.732 1.00 40.14 H new ATOM 0 HG3 LYS A 61 1.114 5.924 23.735 1.00 40.14 H new ATOM 0 HD2 LYS A 61 1.741 4.157 25.206 1.00 53.32 H new ATOM 0 HD3 LYS A 61 2.543 5.587 25.824 1.00 53.32 H new ATOM 0 HE2 LYS A 61 1.581 5.184 27.821 1.00 51.24 H new ATOM 0 HE3 LYS A 61 0.038 5.605 27.104 1.00 51.24 H new ATOM 0 HZ1 LYS A 61 -0.038 3.428 28.132 1.00 54.01 H new ATOM 0 HZ2 LYS A 61 -0.262 3.285 26.455 1.00 54.01 H new ATOM 0 HZ3 LYS A 61 1.233 2.878 27.150 1.00 54.01 H new ATOM 887 N VAL A 62 1.678 8.770 22.296 1.00 12.34 N ATOM 888 CA VAL A 62 1.275 9.565 21.142 1.00 1.14 C ATOM 889 C VAL A 62 0.859 8.673 19.979 1.00 75.43 C ATOM 890 O VAL A 62 1.238 7.503 19.913 1.00 14.33 O ATOM 891 CB VAL A 62 2.410 10.497 20.679 1.00 2.42 C ATOM 892 CG1 VAL A 62 2.630 11.613 21.689 1.00 5.40 C ATOM 893 CG2 VAL A 62 3.691 9.707 20.458 1.00 41.23 C ATOM 0 H VAL A 62 2.142 7.892 22.062 1.00 12.34 H new ATOM 0 HA VAL A 62 0.424 10.169 21.455 1.00 1.14 H new ATOM 0 HB VAL A 62 2.121 10.950 19.730 1.00 2.42 H new ATOM 0 HG11 VAL A 62 3.436 12.261 21.345 1.00 5.40 H new ATOM 0 HG12 VAL A 62 1.715 12.196 21.793 1.00 5.40 H new ATOM 0 HG13 VAL A 62 2.898 11.183 22.654 1.00 5.40 H new ATOM 0 HG21 VAL A 62 4.483 10.381 20.131 1.00 41.23 H new ATOM 0 HG22 VAL A 62 3.987 9.225 21.390 1.00 41.23 H new ATOM 0 HG23 VAL A 62 3.523 8.948 19.694 1.00 41.23 H new ATOM 903 N SER A 63 0.076 9.232 19.061 1.00 4.33 N ATOM 904 CA SER A 63 -0.395 8.486 17.900 1.00 0.15 C ATOM 905 C SER A 63 -0.043 9.215 16.607 1.00 75.31 C ATOM 906 O SER A 63 -0.827 9.232 15.659 1.00 15.31 O ATOM 907 CB SER A 63 -1.908 8.273 17.984 1.00 3.34 C ATOM 908 OG SER A 63 -2.335 8.176 19.332 1.00 10.10 O ATOM 0 H SER A 63 -0.245 10.199 19.099 1.00 4.33 H new ATOM 0 HA SER A 63 0.101 7.516 17.896 1.00 0.15 H new ATOM 0 HB2 SER A 63 -2.423 9.100 17.495 1.00 3.34 H new ATOM 0 HB3 SER A 63 -2.181 7.365 17.446 1.00 3.34 H new ATOM 0 HG SER A 63 -3.305 8.042 19.359 1.00 10.10 H new ATOM 914 N ASN A 64 1.142 9.815 16.577 1.00 52.22 N ATOM 915 CA ASN A 64 1.598 10.546 15.400 1.00 5.45 C ATOM 916 C ASN A 64 2.162 9.592 14.352 1.00 51.43 C ATOM 917 O ASN A 64 3.139 8.887 14.601 1.00 72.32 O ATOM 918 CB ASN A 64 2.661 11.575 15.794 1.00 31.41 C ATOM 919 CG ASN A 64 3.936 10.925 16.295 1.00 3.24 C ATOM 920 OD1 ASN A 64 4.840 10.622 15.516 1.00 52.42 O ATOM 921 ND2 ASN A 64 4.015 10.708 17.603 1.00 30.20 N ATOM 0 H ASN A 64 1.804 9.810 17.353 1.00 52.22 H new ATOM 0 HA ASN A 64 0.741 11.064 14.970 1.00 5.45 H new ATOM 0 HB2 ASN A 64 2.891 12.204 14.934 1.00 31.41 H new ATOM 0 HB3 ASN A 64 2.261 12.229 16.569 1.00 31.41 H new ATOM 0 HD21 ASN A 64 4.849 10.274 17.999 1.00 30.20 H new ATOM 0 HD22 ASN A 64 3.242 10.975 18.212 1.00 30.20 H new ATOM 928 N ALA A 65 1.539 9.577 13.178 1.00 41.42 N ATOM 929 CA ALA A 65 1.980 8.713 12.090 1.00 34.32 C ATOM 930 C ALA A 65 1.107 8.898 10.853 1.00 0.35 C ATOM 931 O ALA A 65 1.589 8.813 9.724 1.00 75.32 O ATOM 932 CB ALA A 65 1.966 7.258 12.534 1.00 21.55 C ATOM 0 H ALA A 65 0.727 10.154 12.956 1.00 41.42 H new ATOM 0 HA ALA A 65 3.000 8.993 11.828 1.00 34.32 H new ATOM 0 HB1 ALA A 65 2.297 6.624 11.712 1.00 21.55 H new ATOM 0 HB2 ALA A 65 2.636 7.130 13.384 1.00 21.55 H new ATOM 0 HB3 ALA A 65 0.954 6.976 12.825 1.00 21.55 H new ATOM 938 N SER A 66 -0.179 9.152 11.075 1.00 42.13 N ATOM 939 CA SER A 66 -1.120 9.345 9.978 1.00 43.25 C ATOM 940 C SER A 66 -0.719 10.544 9.123 1.00 11.01 C ATOM 941 O SER A 66 -0.678 10.459 7.896 1.00 22.53 O ATOM 942 CB SER A 66 -2.536 9.542 10.521 1.00 11.50 C ATOM 943 OG SER A 66 -3.499 8.970 9.654 1.00 55.03 O ATOM 0 H SER A 66 -0.593 9.229 12.004 1.00 42.13 H new ATOM 0 HA SER A 66 -1.100 8.452 9.353 1.00 43.25 H new ATOM 0 HB2 SER A 66 -2.616 9.088 11.509 1.00 11.50 H new ATOM 0 HB3 SER A 66 -2.738 10.606 10.642 1.00 11.50 H new ATOM 0 HG SER A 66 -4.396 9.108 10.025 1.00 55.03 H new ATOM 949 N GLU A 67 -0.425 11.661 9.782 1.00 70.40 N ATOM 950 CA GLU A 67 -0.029 12.877 9.083 1.00 44.31 C ATOM 951 C GLU A 67 0.222 14.014 10.069 1.00 5.34 C ATOM 952 O GLU A 67 1.368 14.379 10.336 1.00 10.33 O ATOM 953 CB GLU A 67 -1.106 13.288 8.077 1.00 11.54 C ATOM 954 CG GLU A 67 -0.701 13.073 6.629 1.00 60.01 C ATOM 955 CD GLU A 67 -0.512 14.376 5.876 1.00 23.41 C ATOM 956 OE1 GLU A 67 -1.524 14.955 5.431 1.00 55.31 O ATOM 957 OE2 GLU A 67 0.648 14.815 5.732 1.00 41.11 O ATOM 0 H GLU A 67 -0.454 11.748 10.798 1.00 70.40 H new ATOM 0 HA GLU A 67 0.898 12.672 8.548 1.00 44.31 H new ATOM 0 HB2 GLU A 67 -2.015 12.721 8.279 1.00 11.54 H new ATOM 0 HB3 GLU A 67 -1.347 14.341 8.225 1.00 11.54 H new ATOM 0 HG2 GLU A 67 0.226 12.501 6.596 1.00 60.01 H new ATOM 0 HG3 GLU A 67 -1.462 12.475 6.128 1.00 60.01 H new ATOM 964 N THR A 68 -0.858 14.572 10.608 1.00 25.44 N ATOM 965 CA THR A 68 -0.756 15.668 11.564 1.00 70.35 C ATOM 966 C THR A 68 -1.581 15.385 12.814 1.00 3.41 C ATOM 967 O THR A 68 -2.028 16.307 13.497 1.00 54.24 O ATOM 968 CB THR A 68 -1.224 16.998 10.944 1.00 45.14 C ATOM 969 OG1 THR A 68 -0.839 17.058 9.565 1.00 14.14 O ATOM 970 CG2 THR A 68 -0.631 18.182 11.693 1.00 44.04 C ATOM 0 H THR A 68 -1.813 14.283 10.399 1.00 25.44 H new ATOM 0 HA THR A 68 0.296 15.753 11.838 1.00 70.35 H new ATOM 0 HB THR A 68 -2.310 17.047 11.020 1.00 45.14 H new ATOM 0 HG1 THR A 68 0.129 16.924 9.489 1.00 14.14 H new ATOM 0 HG21 THR A 68 -0.975 19.110 11.237 1.00 44.04 H new ATOM 0 HG22 THR A 68 -0.949 18.150 12.735 1.00 44.04 H new ATOM 0 HG23 THR A 68 0.457 18.136 11.644 1.00 44.04 H new ATOM 978 N LYS A 69 -1.778 14.105 13.111 1.00 40.35 N ATOM 979 CA LYS A 69 -2.547 13.700 14.281 1.00 54.31 C ATOM 980 C LYS A 69 -2.068 14.436 15.528 1.00 14.03 C ATOM 981 O LYS A 69 -2.641 15.453 15.919 1.00 25.42 O ATOM 982 CB LYS A 69 -2.435 12.189 14.493 1.00 60.24 C ATOM 983 CG LYS A 69 -3.131 11.371 13.419 1.00 72.32 C ATOM 984 CD LYS A 69 -4.610 11.710 13.330 1.00 23.12 C ATOM 985 CE LYS A 69 -5.477 10.474 13.513 1.00 60.12 C ATOM 986 NZ LYS A 69 -6.884 10.828 13.850 1.00 44.12 N ATOM 0 H LYS A 69 -1.415 13.330 12.557 1.00 40.35 H new ATOM 0 HA LYS A 69 -3.591 13.959 14.106 1.00 54.31 H new ATOM 0 HB2 LYS A 69 -1.381 11.912 14.523 1.00 60.24 H new ATOM 0 HB3 LYS A 69 -2.859 11.934 15.464 1.00 60.24 H new ATOM 0 HG2 LYS A 69 -2.656 11.555 12.455 1.00 72.32 H new ATOM 0 HG3 LYS A 69 -3.013 10.309 13.635 1.00 72.32 H new ATOM 0 HD2 LYS A 69 -4.862 12.448 14.091 1.00 23.12 H new ATOM 0 HD3 LYS A 69 -4.823 12.165 12.363 1.00 23.12 H new ATOM 0 HE2 LYS A 69 -5.461 9.881 12.599 1.00 60.12 H new ATOM 0 HE3 LYS A 69 -5.060 9.852 14.305 1.00 60.12 H new ATOM 0 HZ1 LYS A 69 -7.272 10.121 14.507 1.00 44.12 H new ATOM 0 HZ2 LYS A 69 -6.908 11.767 14.297 1.00 44.12 H new ATOM 0 HZ3 LYS A 69 -7.456 10.844 12.981 1.00 44.12 H new ATOM 1000 N GLY A 70 -1.014 13.916 16.149 1.00 63.34 N ATOM 1001 CA GLY A 70 -0.475 14.537 17.344 1.00 11.23 C ATOM 1002 C GLY A 70 -1.215 14.118 18.599 1.00 12.31 C ATOM 1003 O GLY A 70 -0.817 14.469 19.710 1.00 3.45 O ATOM 0 H GLY A 70 -0.523 13.075 15.845 1.00 63.34 H new ATOM 0 HA2 GLY A 70 0.578 14.275 17.442 1.00 11.23 H new ATOM 0 HA3 GLY A 70 -0.525 15.621 17.241 1.00 11.23 H new ATOM 1007 N LEU A 71 -2.297 13.367 18.423 1.00 4.21 N ATOM 1008 CA LEU A 71 -3.096 12.901 19.551 1.00 71.13 C ATOM 1009 C LEU A 71 -2.212 12.262 20.618 1.00 55.44 C ATOM 1010 O LEU A 71 -1.429 11.357 20.330 1.00 54.10 O ATOM 1011 CB LEU A 71 -4.148 11.897 19.075 1.00 25.33 C ATOM 1012 CG LEU A 71 -4.955 12.304 17.842 1.00 21.41 C ATOM 1013 CD1 LEU A 71 -4.940 11.192 16.804 1.00 53.30 C ATOM 1014 CD2 LEU A 71 -6.384 12.653 18.232 1.00 42.33 C ATOM 0 H LEU A 71 -2.641 13.068 17.510 1.00 4.21 H new ATOM 0 HA LEU A 71 -3.598 13.763 19.990 1.00 71.13 H new ATOM 0 HB2 LEU A 71 -3.649 10.952 18.862 1.00 25.33 H new ATOM 0 HB3 LEU A 71 -4.843 11.713 19.895 1.00 25.33 H new ATOM 0 HG LEU A 71 -4.493 13.189 17.404 1.00 21.41 H new ATOM 0 HD11 LEU A 71 -5.519 11.499 15.933 1.00 53.30 H new ATOM 0 HD12 LEU A 71 -3.912 10.989 16.503 1.00 53.30 H new ATOM 0 HD13 LEU A 71 -5.378 10.290 17.231 1.00 53.30 H new ATOM 0 HD21 LEU A 71 -6.944 12.940 17.342 1.00 42.33 H new ATOM 0 HD22 LEU A 71 -6.857 11.787 18.694 1.00 42.33 H new ATOM 0 HD23 LEU A 71 -6.376 13.482 18.939 1.00 42.33 H new ATOM 1026 N VAL A 72 -2.345 12.739 21.851 1.00 32.05 N ATOM 1027 CA VAL A 72 -1.561 12.213 22.963 1.00 75.33 C ATOM 1028 C VAL A 72 -2.462 11.596 24.027 1.00 72.12 C ATOM 1029 O VAL A 72 -3.599 12.027 24.221 1.00 53.34 O ATOM 1030 CB VAL A 72 -0.698 13.311 23.610 1.00 10.45 C ATOM 1031 CG1 VAL A 72 0.293 13.875 22.604 1.00 62.13 C ATOM 1032 CG2 VAL A 72 -1.578 14.414 24.179 1.00 12.20 C ATOM 0 H VAL A 72 -2.988 13.489 22.106 1.00 32.05 H new ATOM 0 HA VAL A 72 -0.908 11.443 22.553 1.00 75.33 H new ATOM 0 HB VAL A 72 -0.133 12.868 24.430 1.00 10.45 H new ATOM 0 HG11 VAL A 72 0.894 14.650 23.080 1.00 62.13 H new ATOM 0 HG12 VAL A 72 0.945 13.077 22.249 1.00 62.13 H new ATOM 0 HG13 VAL A 72 -0.249 14.303 21.761 1.00 62.13 H new ATOM 0 HG21 VAL A 72 -0.951 15.182 24.633 1.00 12.20 H new ATOM 0 HG22 VAL A 72 -2.171 14.856 23.378 1.00 12.20 H new ATOM 0 HG23 VAL A 72 -2.243 13.996 24.934 1.00 12.20 H new ATOM 1042 N THR A 73 -1.946 10.583 24.716 1.00 34.13 N ATOM 1043 CA THR A 73 -2.704 9.905 25.761 1.00 3.41 C ATOM 1044 C THR A 73 -1.868 9.736 27.024 1.00 5.44 C ATOM 1045 O THR A 73 -0.643 9.636 26.961 1.00 10.44 O ATOM 1046 CB THR A 73 -3.192 8.521 25.293 1.00 1.44 C ATOM 1047 OG1 THR A 73 -3.271 8.487 23.864 1.00 12.10 O ATOM 1048 CG2 THR A 73 -4.553 8.198 25.890 1.00 75.13 C ATOM 0 H THR A 73 -1.006 10.214 24.569 1.00 34.13 H new ATOM 0 HA THR A 73 -3.568 10.531 25.982 1.00 3.41 H new ATOM 0 HB THR A 73 -2.477 7.773 25.634 1.00 1.44 H new ATOM 0 HG1 THR A 73 -3.580 7.603 23.574 1.00 12.10 H new ATOM 0 HG21 THR A 73 -4.878 7.216 25.546 1.00 75.13 H new ATOM 0 HG22 THR A 73 -4.482 8.196 26.978 1.00 75.13 H new ATOM 0 HG23 THR A 73 -5.276 8.950 25.575 1.00 75.13 H new ATOM 1056 N GLY A 74 -2.538 9.705 28.172 1.00 23.35 N ATOM 1057 CA GLY A 74 -1.839 9.547 29.435 1.00 55.01 C ATOM 1058 C GLY A 74 -2.330 8.348 30.223 1.00 45.33 C ATOM 1059 O GLY A 74 -3.409 7.821 29.955 1.00 74.43 O ATOM 0 H GLY A 74 -3.552 9.786 28.250 1.00 23.35 H new ATOM 0 HA2 GLY A 74 -0.771 9.440 29.245 1.00 55.01 H new ATOM 0 HA3 GLY A 74 -1.968 10.449 30.033 1.00 55.01 H new ATOM 1063 N ILE A 75 -1.534 7.916 31.195 1.00 12.45 N ATOM 1064 CA ILE A 75 -1.893 6.772 32.024 1.00 74.03 C ATOM 1065 C ILE A 75 -2.075 7.183 33.481 1.00 41.32 C ATOM 1066 O ILE A 75 -3.042 6.789 34.132 1.00 63.31 O ATOM 1067 CB ILE A 75 -0.828 5.663 31.944 1.00 61.20 C ATOM 1068 CG1 ILE A 75 -0.749 5.103 30.522 1.00 21.54 C ATOM 1069 CG2 ILE A 75 -1.141 4.555 32.939 1.00 2.30 C ATOM 1070 CD1 ILE A 75 -2.025 4.432 30.066 1.00 74.54 C ATOM 0 H ILE A 75 -0.636 8.341 31.428 1.00 12.45 H new ATOM 0 HA ILE A 75 -2.837 6.387 31.638 1.00 74.03 H new ATOM 0 HB ILE A 75 0.141 6.091 32.200 1.00 61.20 H new ATOM 0 HG12 ILE A 75 -0.508 5.913 29.834 1.00 21.54 H new ATOM 0 HG13 ILE A 75 0.069 4.385 30.468 1.00 21.54 H new ATOM 0 HG21 ILE A 75 -0.379 3.778 32.870 1.00 2.30 H new ATOM 0 HG22 ILE A 75 -1.151 4.965 33.949 1.00 2.30 H new ATOM 0 HG23 ILE A 75 -2.117 4.127 32.711 1.00 2.30 H new ATOM 0 HD11 ILE A 75 -1.897 4.059 29.050 1.00 74.54 H new ATOM 0 HD12 ILE A 75 -2.257 3.600 30.731 1.00 74.54 H new ATOM 0 HD13 ILE A 75 -2.843 5.152 30.088 1.00 74.54 H new ATOM 1082 N ALA A 76 -1.139 7.980 33.986 1.00 50.31 N ATOM 1083 CA ALA A 76 -1.198 8.449 35.365 1.00 65.30 C ATOM 1084 C ALA A 76 -1.388 9.961 35.424 1.00 73.55 C ATOM 1085 O ALA A 76 -1.364 10.639 34.397 1.00 44.12 O ATOM 1086 CB ALA A 76 0.064 8.045 36.114 1.00 70.44 C ATOM 0 H ALA A 76 -0.331 8.314 33.461 1.00 50.31 H new ATOM 0 HA ALA A 76 -2.058 7.982 35.844 1.00 65.30 H new ATOM 0 HB1 ALA A 76 0.007 8.402 37.142 1.00 70.44 H new ATOM 0 HB2 ALA A 76 0.157 6.959 36.111 1.00 70.44 H new ATOM 0 HB3 ALA A 76 0.934 8.485 35.626 1.00 70.44 H new ATOM 1092 N SER A 77 -1.579 10.482 36.631 1.00 34.12 N ATOM 1093 CA SER A 77 -1.779 11.914 36.823 1.00 71.42 C ATOM 1094 C SER A 77 -0.446 12.624 37.036 1.00 10.32 C ATOM 1095 O SER A 77 0.619 12.053 36.807 1.00 72.43 O ATOM 1096 CB SER A 77 -2.701 12.166 38.017 1.00 34.01 C ATOM 1097 OG SER A 77 -1.957 12.315 39.214 1.00 71.12 O ATOM 0 H SER A 77 -1.600 9.934 37.491 1.00 34.12 H new ATOM 0 HA SER A 77 -2.245 12.315 35.923 1.00 71.42 H new ATOM 0 HB2 SER A 77 -3.294 13.063 37.840 1.00 34.01 H new ATOM 0 HB3 SER A 77 -3.401 11.337 38.121 1.00 34.01 H new ATOM 0 HG SER A 77 -2.569 12.477 39.962 1.00 71.12 H new ATOM 1103 N GLY A 78 -0.514 13.877 37.477 1.00 31.24 N ATOM 1104 CA GLY A 78 0.693 14.646 37.715 1.00 42.45 C ATOM 1105 C GLY A 78 0.830 15.819 36.763 1.00 33.33 C ATOM 1106 O GLY A 78 -0.165 16.326 36.247 1.00 43.33 O ATOM 0 H GLY A 78 -1.384 14.373 37.673 1.00 31.24 H new ATOM 0 HA2 GLY A 78 0.690 15.013 38.741 1.00 42.45 H new ATOM 0 HA3 GLY A 78 1.561 13.995 37.612 1.00 42.45 H new ATOM 1110 N ASN A 79 2.065 16.251 36.533 1.00 62.34 N ATOM 1111 CA ASN A 79 2.328 17.373 35.639 1.00 61.44 C ATOM 1112 C ASN A 79 3.178 16.934 34.450 1.00 72.51 C ATOM 1113 O ASN A 79 4.330 17.340 34.295 1.00 74.14 O ATOM 1114 CB ASN A 79 3.033 18.500 36.395 1.00 4.21 C ATOM 1115 CG ASN A 79 2.983 19.818 35.647 1.00 13.30 C ATOM 1116 OD1 ASN A 79 2.932 19.845 34.417 1.00 0.33 O ATOM 1117 ND2 ASN A 79 2.997 20.920 36.388 1.00 14.03 N ATOM 0 H ASN A 79 2.900 15.842 36.953 1.00 62.34 H new ATOM 0 HA ASN A 79 1.372 17.738 35.264 1.00 61.44 H new ATOM 0 HB2 ASN A 79 2.569 18.623 37.374 1.00 4.21 H new ATOM 0 HB3 ASN A 79 4.073 18.223 36.568 1.00 4.21 H new ATOM 0 HD21 ASN A 79 2.965 21.836 35.940 1.00 14.03 H new ATOM 0 HD22 ASN A 79 3.040 20.850 37.405 1.00 14.03 H new ATOM 1124 N PRO A 80 2.597 16.084 33.590 1.00 65.24 N ATOM 1125 CA PRO A 80 3.283 15.572 32.399 1.00 34.31 C ATOM 1126 C PRO A 80 3.494 16.651 31.343 1.00 60.12 C ATOM 1127 O PRO A 80 2.597 16.945 30.552 1.00 11.42 O ATOM 1128 CB PRO A 80 2.330 14.493 31.878 1.00 31.21 C ATOM 1129 CG PRO A 80 0.988 14.896 32.383 1.00 11.45 C ATOM 1130 CD PRO A 80 1.228 15.558 33.712 1.00 34.24 C ATOM 0 HA PRO A 80 4.282 15.202 32.631 1.00 34.31 H new ATOM 0 HB2 PRO A 80 2.345 14.444 30.789 1.00 31.21 H new ATOM 0 HB3 PRO A 80 2.611 13.506 32.245 1.00 31.21 H new ATOM 0 HG2 PRO A 80 0.499 15.580 31.689 1.00 11.45 H new ATOM 0 HG3 PRO A 80 0.335 14.030 32.491 1.00 11.45 H new ATOM 0 HD2 PRO A 80 0.507 16.354 33.900 1.00 34.24 H new ATOM 0 HD3 PRO A 80 1.142 14.849 34.535 1.00 34.24 H new ATOM 1138 N THR A 81 4.687 17.238 31.334 1.00 54.42 N ATOM 1139 CA THR A 81 5.016 18.286 30.375 1.00 34.40 C ATOM 1140 C THR A 81 5.274 17.702 28.991 1.00 52.14 C ATOM 1141 O THR A 81 6.041 16.751 28.841 1.00 25.11 O ATOM 1142 CB THR A 81 6.253 19.087 30.821 1.00 62.11 C ATOM 1143 OG1 THR A 81 6.624 18.715 32.153 1.00 14.22 O ATOM 1144 CG2 THR A 81 5.979 20.582 30.764 1.00 41.21 C ATOM 0 H THR A 81 5.441 17.005 31.980 1.00 54.42 H new ATOM 0 HA THR A 81 4.157 18.955 30.330 1.00 34.40 H new ATOM 0 HB THR A 81 7.072 18.858 30.139 1.00 62.11 H new ATOM 0 HG1 THR A 81 7.412 19.228 32.428 1.00 14.22 H new ATOM 0 HG21 THR A 81 6.867 21.127 31.084 1.00 41.21 H new ATOM 0 HG22 THR A 81 5.726 20.867 29.743 1.00 41.21 H new ATOM 0 HG23 THR A 81 5.147 20.825 31.425 1.00 41.21 H new ATOM 1152 N ILE A 82 4.629 18.278 27.981 1.00 22.34 N ATOM 1153 CA ILE A 82 4.791 17.815 26.609 1.00 64.12 C ATOM 1154 C ILE A 82 5.900 18.583 25.897 1.00 52.20 C ATOM 1155 O ILE A 82 5.798 19.793 25.694 1.00 41.43 O ATOM 1156 CB ILE A 82 3.484 17.961 25.807 1.00 5.22 C ATOM 1157 CG1 ILE A 82 2.308 17.384 26.598 1.00 44.41 C ATOM 1158 CG2 ILE A 82 3.611 17.271 24.457 1.00 2.51 C ATOM 1159 CD1 ILE A 82 2.454 15.911 26.908 1.00 14.14 C ATOM 0 H ILE A 82 3.990 19.066 28.088 1.00 22.34 H new ATOM 0 HA ILE A 82 5.059 16.760 26.662 1.00 64.12 H new ATOM 0 HB ILE A 82 3.297 19.021 25.635 1.00 5.22 H new ATOM 0 HG12 ILE A 82 2.204 17.935 27.533 1.00 44.41 H new ATOM 0 HG13 ILE A 82 1.389 17.539 26.032 1.00 44.41 H new ATOM 0 HG21 ILE A 82 2.680 17.383 23.902 1.00 2.51 H new ATOM 0 HG22 ILE A 82 4.426 17.723 23.892 1.00 2.51 H new ATOM 0 HG23 ILE A 82 3.818 16.212 24.608 1.00 2.51 H new ATOM 0 HD11 ILE A 82 1.585 15.570 27.470 1.00 14.14 H new ATOM 0 HD12 ILE A 82 2.528 15.349 25.977 1.00 14.14 H new ATOM 0 HD13 ILE A 82 3.355 15.751 27.501 1.00 14.14 H new ATOM 1171 N ILE A 83 6.957 17.872 25.519 1.00 35.22 N ATOM 1172 CA ILE A 83 8.083 18.486 24.827 1.00 14.31 C ATOM 1173 C ILE A 83 8.242 17.915 23.422 1.00 4.42 C ATOM 1174 O ILE A 83 8.367 16.704 23.244 1.00 53.21 O ATOM 1175 CB ILE A 83 9.398 18.286 25.603 1.00 33.22 C ATOM 1176 CG1 ILE A 83 9.214 18.676 27.071 1.00 13.31 C ATOM 1177 CG2 ILE A 83 10.516 19.099 24.969 1.00 2.22 C ATOM 1178 CD1 ILE A 83 8.859 20.133 27.269 1.00 50.41 C ATOM 0 H ILE A 83 7.057 16.870 25.681 1.00 35.22 H new ATOM 0 HA ILE A 83 7.869 19.553 24.761 1.00 14.31 H new ATOM 0 HB ILE A 83 9.672 17.232 25.559 1.00 33.22 H new ATOM 0 HG12 ILE A 83 8.430 18.057 27.508 1.00 13.31 H new ATOM 0 HG13 ILE A 83 10.133 18.457 27.615 1.00 13.31 H new ATOM 0 HG21 ILE A 83 11.439 18.947 25.529 1.00 2.22 H new ATOM 0 HG22 ILE A 83 10.660 18.777 23.938 1.00 2.22 H new ATOM 0 HG23 ILE A 83 10.251 20.156 24.986 1.00 2.22 H new ATOM 0 HD11 ILE A 83 8.744 20.338 28.333 1.00 50.41 H new ATOM 0 HD12 ILE A 83 9.653 20.759 26.863 1.00 50.41 H new ATOM 0 HD13 ILE A 83 7.924 20.353 26.754 1.00 50.41 H new ATOM 1190 N ALA A 84 8.240 18.797 22.427 1.00 33.35 N ATOM 1191 CA ALA A 84 8.388 18.381 21.038 1.00 3.13 C ATOM 1192 C ALA A 84 9.712 18.868 20.458 1.00 13.20 C ATOM 1193 O ALA A 84 10.126 20.003 20.696 1.00 2.20 O ATOM 1194 CB ALA A 84 7.223 18.896 20.206 1.00 44.01 C ATOM 0 H ALA A 84 8.138 19.803 22.557 1.00 33.35 H new ATOM 0 HA ALA A 84 8.387 17.291 21.008 1.00 3.13 H new ATOM 0 HB1 ALA A 84 7.347 18.578 19.171 1.00 44.01 H new ATOM 0 HB2 ALA A 84 6.289 18.495 20.600 1.00 44.01 H new ATOM 0 HB3 ALA A 84 7.197 19.985 20.250 1.00 44.01 H new ATOM 1200 N THR A 85 10.373 18.003 19.695 1.00 33.34 N ATOM 1201 CA THR A 85 11.650 18.344 19.083 1.00 42.12 C ATOM 1202 C THR A 85 11.617 18.114 17.576 1.00 35.13 C ATOM 1203 O THR A 85 11.307 17.016 17.113 1.00 20.11 O ATOM 1204 CB THR A 85 12.802 17.522 19.691 1.00 43.04 C ATOM 1205 OG1 THR A 85 12.376 16.910 20.913 1.00 74.33 O ATOM 1206 CG2 THR A 85 14.015 18.402 19.955 1.00 54.32 C ATOM 0 H THR A 85 10.044 17.060 19.486 1.00 33.34 H new ATOM 0 HA THR A 85 11.823 19.401 19.283 1.00 42.12 H new ATOM 0 HB THR A 85 13.083 16.748 18.976 1.00 43.04 H new ATOM 0 HG1 THR A 85 13.114 16.388 21.292 1.00 74.33 H new ATOM 0 HG21 THR A 85 14.815 17.799 20.384 1.00 54.32 H new ATOM 0 HG22 THR A 85 14.355 18.843 19.018 1.00 54.32 H new ATOM 0 HG23 THR A 85 13.744 19.195 20.652 1.00 54.32 H new ATOM 1214 N TYR A 86 11.937 19.155 16.816 1.00 2.02 N ATOM 1215 CA TYR A 86 11.942 19.066 15.361 1.00 52.31 C ATOM 1216 C TYR A 86 12.911 20.078 14.756 1.00 31.25 C ATOM 1217 O TYR A 86 12.623 21.272 14.698 1.00 0.53 O ATOM 1218 CB TYR A 86 10.534 19.300 14.810 1.00 1.12 C ATOM 1219 CG TYR A 86 9.719 20.277 15.627 1.00 32.22 C ATOM 1220 CD1 TYR A 86 9.819 21.646 15.413 1.00 62.20 C ATOM 1221 CD2 TYR A 86 8.847 19.830 16.613 1.00 42.21 C ATOM 1222 CE1 TYR A 86 9.077 22.542 16.158 1.00 72.33 C ATOM 1223 CE2 TYR A 86 8.100 20.719 17.361 1.00 33.25 C ATOM 1224 CZ TYR A 86 8.218 22.073 17.130 1.00 3.44 C ATOM 1225 OH TYR A 86 7.476 22.962 17.873 1.00 10.54 O ATOM 0 H TYR A 86 12.196 20.070 17.183 1.00 2.02 H new ATOM 0 HA TYR A 86 12.272 18.064 15.085 1.00 52.31 H new ATOM 0 HB2 TYR A 86 10.610 19.669 13.787 1.00 1.12 H new ATOM 0 HB3 TYR A 86 10.007 18.347 14.767 1.00 1.12 H new ATOM 0 HD1 TYR A 86 10.489 22.016 14.651 1.00 62.20 H new ATOM 0 HD2 TYR A 86 8.752 18.770 16.797 1.00 42.21 H new ATOM 0 HE1 TYR A 86 9.169 23.603 15.980 1.00 72.33 H new ATOM 0 HE2 TYR A 86 7.427 20.355 18.123 1.00 33.25 H new ATOM 0 HH TYR A 86 7.489 23.841 17.440 1.00 10.54 H new ATOM 1235 N GLY A 87 14.063 19.589 14.306 1.00 34.44 N ATOM 1236 CA GLY A 87 15.057 20.462 13.712 1.00 65.44 C ATOM 1237 C GLY A 87 15.615 21.465 14.702 1.00 72.12 C ATOM 1238 O GLY A 87 16.046 21.096 15.794 1.00 61.51 O ATOM 0 H GLY A 87 14.325 18.604 14.343 1.00 34.44 H new ATOM 0 HA2 GLY A 87 15.872 19.859 13.312 1.00 65.44 H new ATOM 0 HA3 GLY A 87 14.612 20.995 12.872 1.00 65.44 H new ATOM 1242 N SER A 88 15.608 22.738 14.319 1.00 33.15 N ATOM 1243 CA SER A 88 16.122 23.797 15.180 1.00 54.32 C ATOM 1244 C SER A 88 14.993 24.446 15.975 1.00 1.43 C ATOM 1245 O SER A 88 15.209 25.416 16.703 1.00 73.11 O ATOM 1246 CB SER A 88 16.846 24.855 14.345 1.00 61.11 C ATOM 1247 OG SER A 88 17.456 24.275 13.205 1.00 70.22 O ATOM 0 H SER A 88 15.252 23.061 13.419 1.00 33.15 H new ATOM 0 HA SER A 88 16.828 23.352 15.881 1.00 54.32 H new ATOM 0 HB2 SER A 88 16.138 25.623 14.032 1.00 61.11 H new ATOM 0 HB3 SER A 88 17.603 25.349 14.955 1.00 61.11 H new ATOM 0 HG SER A 88 17.911 24.972 12.687 1.00 70.22 H new ATOM 1253 N VAL A 89 13.788 23.904 15.831 1.00 0.22 N ATOM 1254 CA VAL A 89 12.625 24.429 16.536 1.00 35.42 C ATOM 1255 C VAL A 89 12.014 23.373 17.451 1.00 24.41 C ATOM 1256 O VAL A 89 12.022 22.183 17.135 1.00 43.02 O ATOM 1257 CB VAL A 89 11.548 24.924 15.552 1.00 31.52 C ATOM 1258 CG1 VAL A 89 10.559 25.838 16.258 1.00 34.15 C ATOM 1259 CG2 VAL A 89 12.192 25.633 14.371 1.00 63.33 C ATOM 0 H VAL A 89 13.592 23.102 15.233 1.00 0.22 H new ATOM 0 HA VAL A 89 12.972 25.270 17.137 1.00 35.42 H new ATOM 0 HB VAL A 89 11.001 24.060 15.174 1.00 31.52 H new ATOM 0 HG11 VAL A 89 9.806 26.178 15.547 1.00 34.15 H new ATOM 0 HG12 VAL A 89 10.074 25.293 17.068 1.00 34.15 H new ATOM 0 HG13 VAL A 89 11.087 26.700 16.666 1.00 34.15 H new ATOM 0 HG21 VAL A 89 11.417 25.976 13.686 1.00 63.33 H new ATOM 0 HG22 VAL A 89 12.765 26.489 14.729 1.00 63.33 H new ATOM 0 HG23 VAL A 89 12.857 24.943 13.851 1.00 63.33 H new ATOM 1269 N SER A 90 11.485 23.816 18.587 1.00 63.10 N ATOM 1270 CA SER A 90 10.873 22.909 19.550 1.00 22.55 C ATOM 1271 C SER A 90 9.525 23.445 20.022 1.00 41.42 C ATOM 1272 O SER A 90 9.279 24.650 19.991 1.00 51.44 O ATOM 1273 CB SER A 90 11.801 22.703 20.750 1.00 74.33 C ATOM 1274 OG SER A 90 12.933 23.550 20.670 1.00 44.34 O ATOM 0 H SER A 90 11.468 24.798 18.863 1.00 63.10 H new ATOM 0 HA SER A 90 10.710 21.951 19.056 1.00 22.55 H new ATOM 0 HB2 SER A 90 11.257 22.904 21.673 1.00 74.33 H new ATOM 0 HB3 SER A 90 12.123 21.663 20.790 1.00 74.33 H new ATOM 0 HG SER A 90 13.509 23.401 21.449 1.00 44.34 H new ATOM 1280 N GLY A 91 8.655 22.540 20.459 1.00 54.31 N ATOM 1281 CA GLY A 91 7.342 22.941 20.931 1.00 71.14 C ATOM 1282 C GLY A 91 7.094 22.535 22.370 1.00 62.32 C ATOM 1283 O GLY A 91 7.848 21.745 22.937 1.00 35.31 O ATOM 0 H GLY A 91 8.835 21.537 20.495 1.00 54.31 H new ATOM 0 HA2 GLY A 91 7.241 24.022 20.839 1.00 71.14 H new ATOM 0 HA3 GLY A 91 6.578 22.495 20.294 1.00 71.14 H new ATOM 1287 N ASN A 92 6.036 23.078 22.963 1.00 73.35 N ATOM 1288 CA ASN A 92 5.692 22.769 24.346 1.00 61.32 C ATOM 1289 C ASN A 92 4.180 22.791 24.549 1.00 41.13 C ATOM 1290 O ASN A 92 3.492 23.697 24.077 1.00 31.10 O ATOM 1291 CB ASN A 92 6.360 23.767 25.294 1.00 31.51 C ATOM 1292 CG ASN A 92 6.367 25.177 24.738 1.00 55.31 C ATOM 1293 OD1 ASN A 92 7.359 25.626 24.164 1.00 22.41 O ATOM 1294 ND2 ASN A 92 5.255 25.885 24.906 1.00 23.41 N ATOM 0 H ASN A 92 5.402 23.734 22.507 1.00 73.35 H new ATOM 0 HA ASN A 92 6.056 21.766 24.569 1.00 61.32 H new ATOM 0 HB2 ASN A 92 5.839 23.759 26.251 1.00 31.51 H new ATOM 0 HB3 ASN A 92 7.385 23.450 25.487 1.00 31.51 H new ATOM 0 HD21 ASN A 92 5.200 26.840 24.553 1.00 23.41 H new ATOM 0 HD22 ASN A 92 4.456 25.473 25.388 1.00 23.41 H new ATOM 1301 N THR A 93 3.668 21.788 25.255 1.00 62.53 N ATOM 1302 CA THR A 93 2.238 21.691 25.520 1.00 25.01 C ATOM 1303 C THR A 93 1.974 21.299 26.969 1.00 35.12 C ATOM 1304 O THR A 93 2.695 20.482 27.543 1.00 50.32 O ATOM 1305 CB THR A 93 1.563 20.665 24.591 1.00 54.12 C ATOM 1306 OG1 THR A 93 2.383 20.431 23.441 1.00 71.03 O ATOM 1307 CG2 THR A 93 0.191 21.155 24.151 1.00 62.23 C ATOM 0 H THR A 93 4.223 21.031 25.654 1.00 62.53 H new ATOM 0 HA THR A 93 1.813 22.677 25.330 1.00 25.01 H new ATOM 0 HB THR A 93 1.439 19.734 25.143 1.00 54.12 H new ATOM 0 HG1 THR A 93 1.947 19.776 22.856 1.00 71.03 H new ATOM 0 HG21 THR A 93 -0.267 20.414 23.496 1.00 62.23 H new ATOM 0 HG22 THR A 93 -0.440 21.304 25.027 1.00 62.23 H new ATOM 0 HG23 THR A 93 0.296 22.098 23.615 1.00 62.23 H new ATOM 1315 N ILE A 94 0.935 21.885 27.555 1.00 30.23 N ATOM 1316 CA ILE A 94 0.575 21.594 28.937 1.00 15.45 C ATOM 1317 C ILE A 94 -0.678 20.728 29.008 1.00 32.14 C ATOM 1318 O ILE A 94 -1.704 21.049 28.407 1.00 41.42 O ATOM 1319 CB ILE A 94 0.337 22.887 29.741 1.00 63.22 C ATOM 1320 CG1 ILE A 94 -0.620 23.813 28.988 1.00 43.05 C ATOM 1321 CG2 ILE A 94 1.658 23.590 30.015 1.00 42.34 C ATOM 1322 CD1 ILE A 94 -0.940 25.088 29.735 1.00 11.33 C ATOM 0 H ILE A 94 0.328 22.563 27.094 1.00 30.23 H new ATOM 0 HA ILE A 94 1.414 21.052 29.374 1.00 15.45 H new ATOM 0 HB ILE A 94 -0.118 22.625 30.696 1.00 63.22 H new ATOM 0 HG12 ILE A 94 -0.182 24.067 28.023 1.00 43.05 H new ATOM 0 HG13 ILE A 94 -1.548 23.277 28.786 1.00 43.05 H new ATOM 0 HG21 ILE A 94 1.474 24.502 30.584 1.00 42.34 H new ATOM 0 HG22 ILE A 94 2.309 22.930 30.588 1.00 42.34 H new ATOM 0 HG23 ILE A 94 2.139 23.843 29.070 1.00 42.34 H new ATOM 0 HD11 ILE A 94 -1.623 25.696 29.142 1.00 11.33 H new ATOM 0 HD12 ILE A 94 -1.407 24.843 30.689 1.00 11.33 H new ATOM 0 HD13 ILE A 94 -0.021 25.646 29.914 1.00 11.33 H new ATOM 1334 N LEU A 95 -0.589 19.628 29.749 1.00 51.44 N ATOM 1335 CA LEU A 95 -1.716 18.715 29.901 1.00 73.03 C ATOM 1336 C LEU A 95 -2.032 18.480 31.374 1.00 11.54 C ATOM 1337 O LEU A 95 -1.156 18.115 32.159 1.00 44.15 O ATOM 1338 CB LEU A 95 -1.414 17.382 29.214 1.00 54.03 C ATOM 1339 CG LEU A 95 -2.560 16.370 29.179 1.00 53.23 C ATOM 1340 CD1 LEU A 95 -3.823 17.013 28.625 1.00 22.54 C ATOM 1341 CD2 LEU A 95 -2.172 15.153 28.352 1.00 52.35 C ATOM 0 H LEU A 95 0.252 19.347 30.253 1.00 51.44 H new ATOM 0 HA LEU A 95 -2.587 19.171 29.430 1.00 73.03 H new ATOM 0 HB2 LEU A 95 -1.105 17.586 28.189 1.00 54.03 H new ATOM 0 HB3 LEU A 95 -0.564 16.921 29.717 1.00 54.03 H new ATOM 0 HG LEU A 95 -2.761 16.042 30.199 1.00 53.23 H new ATOM 0 HD11 LEU A 95 -4.628 16.278 28.607 1.00 22.54 H new ATOM 0 HD12 LEU A 95 -4.112 17.852 29.258 1.00 22.54 H new ATOM 0 HD13 LEU A 95 -3.635 17.370 27.612 1.00 22.54 H new ATOM 0 HD21 LEU A 95 -2.999 14.444 28.338 1.00 52.35 H new ATOM 0 HD22 LEU A 95 -1.943 15.464 27.333 1.00 52.35 H new ATOM 0 HD23 LEU A 95 -1.295 14.679 28.792 1.00 52.35 H new ATOM 1353 N THR A 96 -3.291 18.691 31.745 1.00 13.04 N ATOM 1354 CA THR A 96 -3.724 18.502 33.124 1.00 23.23 C ATOM 1355 C THR A 96 -4.317 17.113 33.329 1.00 72.43 C ATOM 1356 O THR A 96 -5.409 16.815 32.844 1.00 51.51 O ATOM 1357 CB THR A 96 -4.766 19.559 33.536 1.00 21.43 C ATOM 1358 OG1 THR A 96 -4.318 20.864 33.154 1.00 62.32 O ATOM 1359 CG2 THR A 96 -5.011 19.521 35.037 1.00 22.42 C ATOM 0 H THR A 96 -4.029 18.993 31.109 1.00 13.04 H new ATOM 0 HA THR A 96 -2.839 18.612 33.751 1.00 23.23 H new ATOM 0 HB THR A 96 -5.702 19.333 33.025 1.00 21.43 H new ATOM 0 HG1 THR A 96 -4.674 21.528 33.780 1.00 62.32 H new ATOM 0 HG21 THR A 96 -5.750 20.276 35.304 1.00 22.42 H new ATOM 0 HG22 THR A 96 -5.380 18.535 35.321 1.00 22.42 H new ATOM 0 HG23 THR A 96 -4.078 19.724 35.563 1.00 22.42 H new ATOM 1367 N VAL A 97 -3.591 16.264 34.050 1.00 14.43 N ATOM 1368 CA VAL A 97 -4.047 14.906 34.321 1.00 54.14 C ATOM 1369 C VAL A 97 -4.285 14.693 35.811 1.00 31.33 C ATOM 1370 O VAL A 97 -3.421 14.985 36.636 1.00 5.20 O ATOM 1371 CB VAL A 97 -3.031 13.863 33.819 1.00 33.24 C ATOM 1372 CG1 VAL A 97 -3.094 13.740 32.305 1.00 54.55 C ATOM 1373 CG2 VAL A 97 -1.626 14.226 34.275 1.00 12.40 C ATOM 0 H VAL A 97 -2.684 16.493 34.457 1.00 14.43 H new ATOM 0 HA VAL A 97 -4.987 14.774 33.785 1.00 54.14 H new ATOM 0 HB VAL A 97 -3.289 12.895 34.248 1.00 33.24 H new ATOM 0 HG11 VAL A 97 -2.369 12.998 31.970 1.00 54.55 H new ATOM 0 HG12 VAL A 97 -4.095 13.429 32.007 1.00 54.55 H new ATOM 0 HG13 VAL A 97 -2.863 14.704 31.852 1.00 54.55 H new ATOM 0 HG21 VAL A 97 -0.921 13.478 33.912 1.00 12.40 H new ATOM 0 HG22 VAL A 97 -1.355 15.204 33.877 1.00 12.40 H new ATOM 0 HG23 VAL A 97 -1.593 14.256 35.364 1.00 12.40 H new ATOM 1383 N ASN A 98 -5.464 14.180 36.149 1.00 2.05 N ATOM 1384 CA ASN A 98 -5.816 13.927 37.542 1.00 70.11 C ATOM 1385 C ASN A 98 -6.310 12.495 37.727 1.00 42.25 C ATOM 1386 O ASN A 98 -7.319 12.255 38.389 1.00 11.14 O ATOM 1387 CB ASN A 98 -6.891 14.913 38.005 1.00 24.41 C ATOM 1388 CG ASN A 98 -6.534 16.351 37.683 1.00 64.24 C ATOM 1389 OD1 ASN A 98 -6.053 17.090 38.542 1.00 52.44 O ATOM 1390 ND2 ASN A 98 -6.768 16.754 36.439 1.00 21.22 N ATOM 0 H ASN A 98 -6.191 13.932 35.478 1.00 2.05 H new ATOM 0 HA ASN A 98 -4.920 14.065 38.148 1.00 70.11 H new ATOM 0 HB2 ASN A 98 -7.839 14.662 37.530 1.00 24.41 H new ATOM 0 HB3 ASN A 98 -7.036 14.810 39.080 1.00 24.41 H new ATOM 0 HD21 ASN A 98 -6.548 17.711 36.163 1.00 21.22 H new ATOM 0 HD22 ASN A 98 -7.168 16.107 35.760 1.00 21.22 H new ATOM 1397 N LYS A 99 -5.591 11.547 37.136 1.00 22.51 N ATOM 1398 CA LYS A 99 -5.953 10.138 37.236 1.00 60.31 C ATOM 1399 C LYS A 99 -5.802 9.637 38.669 1.00 54.40 C ATOM 1400 O LYS A 99 -4.768 9.843 39.304 1.00 3.14 O ATOM 1401 CB LYS A 99 -5.083 9.299 36.297 1.00 22.54 C ATOM 1402 CG LYS A 99 -5.475 7.832 36.254 1.00 60.24 C ATOM 1403 CD LYS A 99 -6.572 7.578 35.233 1.00 45.02 C ATOM 1404 CE LYS A 99 -7.537 6.503 35.708 1.00 70.14 C ATOM 1405 NZ LYS A 99 -7.332 5.216 34.987 1.00 31.11 N ATOM 0 H LYS A 99 -4.754 11.729 36.582 1.00 22.51 H new ATOM 0 HA LYS A 99 -6.998 10.036 36.942 1.00 60.31 H new ATOM 0 HB2 LYS A 99 -5.145 9.713 35.291 1.00 22.54 H new ATOM 0 HB3 LYS A 99 -4.042 9.379 36.611 1.00 22.54 H new ATOM 0 HG2 LYS A 99 -4.601 7.228 36.009 1.00 60.24 H new ATOM 0 HG3 LYS A 99 -5.814 7.516 37.240 1.00 60.24 H new ATOM 0 HD2 LYS A 99 -7.118 8.503 35.047 1.00 45.02 H new ATOM 0 HD3 LYS A 99 -6.126 7.275 34.286 1.00 45.02 H new ATOM 0 HE2 LYS A 99 -7.406 6.345 36.778 1.00 70.14 H new ATOM 0 HE3 LYS A 99 -8.562 6.843 35.559 1.00 70.14 H new ATOM 0 HZ1 LYS A 99 -8.009 4.509 35.339 1.00 31.11 H new ATOM 0 HZ2 LYS A 99 -7.482 5.361 33.968 1.00 31.11 H new ATOM 0 HZ3 LYS A 99 -6.362 4.878 35.149 1.00 31.11 H new ATOM 1419 N THR A 100 -6.841 8.978 39.173 1.00 22.30 N ATOM 1420 CA THR A 100 -6.824 8.448 40.531 1.00 63.35 C ATOM 1421 C THR A 100 -5.718 7.413 40.703 1.00 62.21 C ATOM 1422 O THR A 100 -4.983 7.434 41.691 1.00 51.15 O ATOM 1423 CB THR A 100 -8.174 7.806 40.900 1.00 72.51 C ATOM 1424 OG1 THR A 100 -8.906 7.486 39.711 1.00 13.34 O ATOM 1425 CG2 THR A 100 -8.997 8.741 41.773 1.00 74.22 C ATOM 0 H THR A 100 -7.705 8.799 38.661 1.00 22.30 H new ATOM 0 HA THR A 100 -6.637 9.290 41.197 1.00 63.35 H new ATOM 0 HB THR A 100 -7.976 6.892 41.460 1.00 72.51 H new ATOM 0 HG1 THR A 100 -9.762 7.077 39.954 1.00 13.34 H new ATOM 0 HG21 THR A 100 -9.946 8.266 42.021 1.00 74.22 H new ATOM 0 HG22 THR A 100 -8.450 8.958 42.690 1.00 74.22 H new ATOM 0 HG23 THR A 100 -9.186 9.670 41.234 1.00 74.22 H new