USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=38 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 22 THR OG1 : rot -142:sc= -0.722 USER MOD Set 1.2: A 30 LYS NZ :NH3+ -167:sc=-0.00734 (180deg=0) USER MOD Set 2.1: A 23 ASN : amide:sc= -1.56 K(o=-1.9,f=1.6) USER MOD Set 2.2: A 96 THR OG1 : rot -170:sc= -0.347 USER MOD Single : A 11 THR OG1 : rot -20:sc= 0.475 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= -0.886 USER MOD Single : A 18 SER OG : rot -68:sc= 0.499 USER MOD Single : A 21 ASN : amide:sc= -3.69! C(o=-3.7!,f=-4.7!) USER MOD Single : A 25 ASN : amide:sc= -0.814 K(o=-0.81,f=-0.06) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.189 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.269 USER MOD Single : A 29 SER OG : rot 180:sc= 0.0222 USER MOD Single : A 31 GLN : amide:sc= -4.67 K(o=-4.7,f=-2.5!) USER MOD Single : A 37 THR OG1 : rot 52:sc= 1.04 USER MOD Single : A 38 TYR OH : rot 150:sc= -0.327 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -130:sc= -0.775 USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= -0.0631 (180deg=-0.383) USER MOD Single : A 47 THR OG1 : rot 120:sc= -0.91 USER MOD Single : A 48 SER OG : rot 180:sc= -0.046 USER MOD Single : A 49 SER OG : rot -170:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -160:sc= -0.573 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.847 X(o=-0.85,f=-0.39) USER MOD Single : A 57 GLN : amide:sc= -0.0294 X(o=-0.029,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -2.88 K(o=-2.9,f=-6.8!) 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= -1.39 X(o=-1.4,f=-1.6) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= -0.041 (180deg=-0.291) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0872 K(o=-0.087,f=0.65) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.765 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= -0.14 K(o=-0.14,f=-1.1) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 98 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= 0.514 (180deg=0.364) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 11 15.302 17.667 5.100 1.00 71.03 N ATOM 142 CA THR A 11 13.866 17.608 4.859 1.00 72.02 C ATOM 143 C THR A 11 13.141 18.740 5.578 1.00 34.52 C ATOM 144 O THR A 11 12.680 19.694 4.950 1.00 4.13 O ATOM 145 CB THR A 11 13.274 16.261 5.317 1.00 42.55 C ATOM 146 OG1 THR A 11 13.943 15.809 6.499 1.00 13.44 O ATOM 147 CG2 THR A 11 13.405 15.213 4.222 1.00 13.01 C ATOM 0 HA THR A 11 13.721 17.713 3.784 1.00 72.02 H new ATOM 0 HB THR A 11 12.216 16.408 5.533 1.00 42.55 H new ATOM 0 HG1 THR A 11 14.809 16.261 6.578 1.00 13.44 H new ATOM 0 HG21 THR A 11 12.980 14.270 4.568 1.00 13.01 H new ATOM 0 HG22 THR A 11 12.871 15.547 3.333 1.00 13.01 H new ATOM 0 HG23 THR A 11 14.458 15.069 3.980 1.00 13.01 H new ATOM 155 N LEU A 12 13.042 18.628 6.898 1.00 24.23 N ATOM 156 CA LEU A 12 12.373 19.643 7.704 1.00 2.13 C ATOM 157 C LEU A 12 13.246 20.885 7.850 1.00 41.43 C ATOM 158 O LEU A 12 14.444 20.787 8.115 1.00 10.05 O ATOM 159 CB LEU A 12 12.031 19.082 9.086 1.00 72.25 C ATOM 160 CG LEU A 12 10.800 18.178 9.156 1.00 33.33 C ATOM 161 CD1 LEU A 12 9.571 18.908 8.637 1.00 72.42 C ATOM 162 CD2 LEU A 12 11.033 16.896 8.370 1.00 42.12 C ATOM 0 H LEU A 12 13.417 17.844 7.433 1.00 24.23 H new ATOM 0 HA LEU A 12 11.452 19.926 7.195 1.00 2.13 H new ATOM 0 HB2 LEU A 12 12.891 18.521 9.451 1.00 72.25 H new ATOM 0 HB3 LEU A 12 11.883 19.918 9.769 1.00 72.25 H new ATOM 0 HG LEU A 12 10.627 17.914 10.199 1.00 33.33 H new ATOM 0 HD11 LEU A 12 8.705 18.249 8.695 1.00 72.42 H new ATOM 0 HD12 LEU A 12 9.392 19.796 9.243 1.00 72.42 H new ATOM 0 HD13 LEU A 12 9.734 19.203 7.600 1.00 72.42 H new ATOM 0 HD21 LEU A 12 10.146 16.265 8.431 1.00 42.12 H new ATOM 0 HD22 LEU A 12 11.233 17.140 7.327 1.00 42.12 H new ATOM 0 HD23 LEU A 12 11.887 16.363 8.788 1.00 42.12 H new ATOM 174 N SER A 13 12.637 22.054 7.676 1.00 60.03 N ATOM 175 CA SER A 13 13.359 23.316 7.786 1.00 51.20 C ATOM 176 C SER A 13 12.911 24.092 9.021 1.00 53.34 C ATOM 177 O SER A 13 13.734 24.610 9.775 1.00 23.41 O ATOM 178 CB SER A 13 13.142 24.163 6.531 1.00 43.34 C ATOM 179 OG SER A 13 13.487 25.518 6.764 1.00 64.24 O ATOM 0 H SER A 13 11.645 22.153 7.458 1.00 60.03 H new ATOM 0 HA SER A 13 14.421 23.091 7.885 1.00 51.20 H new ATOM 0 HB2 SER A 13 13.743 23.767 5.713 1.00 43.34 H new ATOM 0 HB3 SER A 13 12.099 24.098 6.221 1.00 43.34 H new ATOM 0 HG SER A 13 13.341 26.038 5.946 1.00 64.24 H new ATOM 185 N SER A 14 11.599 24.169 9.220 1.00 73.05 N ATOM 186 CA SER A 14 11.039 24.885 10.360 1.00 60.10 C ATOM 187 C SER A 14 9.703 24.280 10.779 1.00 74.43 C ATOM 188 O SER A 14 8.965 23.745 9.951 1.00 73.53 O ATOM 189 CB SER A 14 10.857 26.365 10.020 1.00 1.53 C ATOM 190 OG SER A 14 11.777 27.170 10.738 1.00 15.12 O ATOM 0 H SER A 14 10.904 23.744 8.606 1.00 73.05 H new ATOM 0 HA SER A 14 11.736 24.794 11.193 1.00 60.10 H new ATOM 0 HB2 SER A 14 10.996 26.515 8.949 1.00 1.53 H new ATOM 0 HB3 SER A 14 9.838 26.673 10.256 1.00 1.53 H new ATOM 0 HG SER A 14 11.642 28.111 10.502 1.00 15.12 H new ATOM 196 N ILE A 15 9.398 24.369 12.069 1.00 25.41 N ATOM 197 CA ILE A 15 8.151 23.831 12.598 1.00 2.12 C ATOM 198 C ILE A 15 7.521 24.791 13.602 1.00 60.22 C ATOM 199 O ILE A 15 8.221 25.536 14.287 1.00 11.31 O ATOM 200 CB ILE A 15 8.370 22.466 13.278 1.00 54.35 C ATOM 201 CG1 ILE A 15 9.163 21.536 12.358 1.00 24.32 C ATOM 202 CG2 ILE A 15 7.034 21.840 13.649 1.00 31.20 C ATOM 203 CD1 ILE A 15 8.417 21.148 11.101 1.00 20.51 C ATOM 0 H ILE A 15 9.998 24.809 12.767 1.00 25.41 H new ATOM 0 HA ILE A 15 7.478 23.702 11.750 1.00 2.12 H new ATOM 0 HB ILE A 15 8.944 22.619 14.192 1.00 54.35 H new ATOM 0 HG12 ILE A 15 10.097 22.024 12.080 1.00 24.32 H new ATOM 0 HG13 ILE A 15 9.426 20.632 12.908 1.00 24.32 H new ATOM 0 HG21 ILE A 15 7.204 20.876 14.129 1.00 31.20 H new ATOM 0 HG22 ILE A 15 6.502 22.498 14.336 1.00 31.20 H new ATOM 0 HG23 ILE A 15 6.437 21.697 12.749 1.00 31.20 H new ATOM 0 HD11 ILE A 15 9.040 20.488 10.497 1.00 20.51 H new ATOM 0 HD12 ILE A 15 7.495 20.632 11.370 1.00 20.51 H new ATOM 0 HD13 ILE A 15 8.177 22.044 10.529 1.00 20.51 H new ATOM 215 N SER A 16 6.195 24.765 13.684 1.00 14.41 N ATOM 216 CA SER A 16 5.469 25.635 14.603 1.00 70.31 C ATOM 217 C SER A 16 4.499 24.829 15.462 1.00 65.40 C ATOM 218 O SER A 16 3.808 23.938 14.967 1.00 30.12 O ATOM 219 CB SER A 16 4.707 26.710 13.826 1.00 11.23 C ATOM 220 OG SER A 16 4.777 26.477 12.430 1.00 1.42 O ATOM 0 H SER A 16 5.601 24.152 13.126 1.00 14.41 H new ATOM 0 HA SER A 16 6.195 26.116 15.259 1.00 70.31 H new ATOM 0 HB2 SER A 16 3.664 26.722 14.144 1.00 11.23 H new ATOM 0 HB3 SER A 16 5.122 27.692 14.055 1.00 11.23 H new ATOM 0 HG SER A 16 4.281 27.177 11.956 1.00 1.42 H new ATOM 226 N ILE A 17 4.455 25.148 16.751 1.00 62.00 N ATOM 227 CA ILE A 17 3.570 24.455 17.679 1.00 24.02 C ATOM 228 C ILE A 17 2.589 25.424 18.330 1.00 31.30 C ATOM 229 O ILE A 17 2.942 26.557 18.654 1.00 3.40 O ATOM 230 CB ILE A 17 4.366 23.731 18.781 1.00 62.40 C ATOM 231 CG1 ILE A 17 5.545 22.969 18.172 1.00 45.30 C ATOM 232 CG2 ILE A 17 3.460 22.784 19.554 1.00 72.15 C ATOM 233 CD1 ILE A 17 6.863 23.703 18.289 1.00 23.41 C ATOM 0 H ILE A 17 5.022 25.882 17.176 1.00 62.00 H new ATOM 0 HA ILE A 17 3.017 23.718 17.097 1.00 24.02 H new ATOM 0 HB ILE A 17 4.757 24.476 19.474 1.00 62.40 H new ATOM 0 HG12 ILE A 17 5.633 22.000 18.663 1.00 45.30 H new ATOM 0 HG13 ILE A 17 5.338 22.776 17.119 1.00 45.30 H new ATOM 0 HG21 ILE A 17 4.037 22.280 20.329 1.00 72.15 H new ATOM 0 HG22 ILE A 17 2.650 23.350 20.015 1.00 72.15 H new ATOM 0 HG23 ILE A 17 3.042 22.043 18.873 1.00 72.15 H new ATOM 0 HD11 ILE A 17 7.654 23.105 17.837 1.00 23.41 H new ATOM 0 HD12 ILE A 17 6.793 24.661 17.774 1.00 23.41 H new ATOM 0 HD13 ILE A 17 7.093 23.873 19.341 1.00 23.41 H new ATOM 245 N SER A 18 1.355 24.968 18.520 1.00 13.42 N ATOM 246 CA SER A 18 0.321 25.795 19.131 1.00 15.20 C ATOM 247 C SER A 18 -0.398 25.034 20.241 1.00 11.41 C ATOM 248 O SER A 18 -1.561 24.650 20.113 1.00 1.44 O ATOM 249 CB SER A 18 -0.688 26.251 18.075 1.00 44.45 C ATOM 250 OG SER A 18 -1.799 26.894 18.674 1.00 34.42 O ATOM 0 H SER A 18 1.047 24.031 18.260 1.00 13.42 H new ATOM 0 HA SER A 18 0.802 26.671 19.566 1.00 15.20 H new ATOM 0 HB2 SER A 18 -0.204 26.932 17.375 1.00 44.45 H new ATOM 0 HB3 SER A 18 -1.029 25.391 17.498 1.00 44.45 H new ATOM 0 HG SER A 18 -2.318 26.240 19.187 1.00 34.42 H new ATOM 256 N PRO A 19 0.310 24.811 21.358 1.00 31.51 N ATOM 257 CA PRO A 19 -0.239 24.094 22.513 1.00 13.53 C ATOM 258 C PRO A 19 -1.313 24.900 23.238 1.00 65.22 C ATOM 259 O PRO A 19 -1.467 26.099 23.002 1.00 22.54 O ATOM 260 CB PRO A 19 0.979 23.892 23.417 1.00 2.45 C ATOM 261 CG PRO A 19 1.912 24.994 23.048 1.00 70.31 C ATOM 262 CD PRO A 19 1.701 25.240 21.579 1.00 20.35 C ATOM 0 HA PRO A 19 -0.729 23.165 22.221 1.00 13.53 H new ATOM 0 HB2 PRO A 19 0.703 23.943 24.470 1.00 2.45 H new ATOM 0 HB3 PRO A 19 1.435 22.916 23.254 1.00 2.45 H new ATOM 0 HG2 PRO A 19 1.703 25.893 23.628 1.00 70.31 H new ATOM 0 HG3 PRO A 19 2.946 24.715 23.253 1.00 70.31 H new ATOM 0 HD2 PRO A 19 1.843 26.290 21.323 1.00 20.35 H new ATOM 0 HD3 PRO A 19 2.400 24.666 20.971 1.00 20.35 H new ATOM 270 N ILE A 20 -2.051 24.234 24.119 1.00 1.13 N ATOM 271 CA ILE A 20 -3.108 24.889 24.879 1.00 54.31 C ATOM 272 C ILE A 20 -3.075 24.467 26.344 1.00 53.31 C ATOM 273 O ILE A 20 -3.202 23.286 26.663 1.00 52.00 O ATOM 274 CB ILE A 20 -4.499 24.573 24.297 1.00 63.04 C ATOM 275 CG1 ILE A 20 -5.592 25.227 25.144 1.00 4.04 C ATOM 276 CG2 ILE A 20 -4.710 23.068 24.219 1.00 54.55 C ATOM 277 CD1 ILE A 20 -6.867 25.502 24.379 1.00 41.03 C ATOM 0 H ILE A 20 -1.937 23.241 24.324 1.00 1.13 H new ATOM 0 HA ILE A 20 -2.928 25.962 24.808 1.00 54.31 H new ATOM 0 HB ILE A 20 -4.556 24.981 23.288 1.00 63.04 H new ATOM 0 HG12 ILE A 20 -5.819 24.580 25.992 1.00 4.04 H new ATOM 0 HG13 ILE A 20 -5.213 26.164 25.551 1.00 4.04 H new ATOM 0 HG21 ILE A 20 -5.697 22.860 23.806 1.00 54.55 H new ATOM 0 HG22 ILE A 20 -3.948 22.626 23.577 1.00 54.55 H new ATOM 0 HG23 ILE A 20 -4.637 22.638 25.218 1.00 54.55 H new ATOM 0 HD11 ILE A 20 -7.597 25.966 25.043 1.00 41.03 H new ATOM 0 HD12 ILE A 20 -6.655 26.174 23.547 1.00 41.03 H new ATOM 0 HD13 ILE A 20 -7.270 24.565 23.995 1.00 41.03 H new ATOM 289 N ASN A 21 -2.906 25.442 27.231 1.00 5.22 N ATOM 290 CA ASN A 21 -2.857 25.172 28.664 1.00 51.24 C ATOM 291 C ASN A 21 -4.234 24.779 29.190 1.00 52.02 C ATOM 292 O ASN A 21 -5.068 25.637 29.483 1.00 23.24 O ATOM 293 CB ASN A 21 -2.342 26.400 29.418 1.00 61.51 C ATOM 294 CG ASN A 21 -1.269 27.144 28.647 1.00 52.04 C ATOM 295 OD1 ASN A 21 -1.550 27.790 27.637 1.00 73.21 O ATOM 296 ND2 ASN A 21 -0.032 27.056 29.120 1.00 3.51 N ATOM 0 H ASN A 21 -2.801 26.426 26.983 1.00 5.22 H new ATOM 0 HA ASN A 21 -2.173 24.339 28.829 1.00 51.24 H new ATOM 0 HB2 ASN A 21 -3.174 27.074 29.620 1.00 61.51 H new ATOM 0 HB3 ASN A 21 -1.942 26.089 30.383 1.00 61.51 H new ATOM 0 HD21 ASN A 21 0.732 27.535 28.643 1.00 3.51 H new ATOM 0 HD22 ASN A 21 0.155 26.509 29.961 1.00 3.51 H new ATOM 303 N THR A 22 -4.467 23.475 29.308 1.00 43.35 N ATOM 304 CA THR A 22 -5.742 22.968 29.798 1.00 61.44 C ATOM 305 C THR A 22 -5.535 21.922 30.888 1.00 51.15 C ATOM 306 O THR A 22 -4.466 21.322 30.990 1.00 10.33 O ATOM 307 CB THR A 22 -6.575 22.348 28.659 1.00 2.35 C ATOM 308 OG1 THR A 22 -6.076 22.789 27.392 1.00 62.34 O ATOM 309 CG2 THR A 22 -8.041 22.730 28.793 1.00 35.50 C ATOM 0 H THR A 22 -3.789 22.751 29.071 1.00 43.35 H new ATOM 0 HA THR A 22 -6.283 23.819 30.212 1.00 61.44 H new ATOM 0 HB THR A 22 -6.491 21.263 28.725 1.00 2.35 H new ATOM 0 HG1 THR A 22 -6.826 22.940 26.780 1.00 62.34 H new ATOM 0 HG21 THR A 22 -8.610 22.281 27.979 1.00 35.50 H new ATOM 0 HG22 THR A 22 -8.426 22.368 29.747 1.00 35.50 H new ATOM 0 HG23 THR A 22 -8.140 23.815 28.750 1.00 35.50 H new ATOM 317 N ASN A 23 -6.566 21.708 31.699 1.00 4.42 N ATOM 318 CA ASN A 23 -6.496 20.734 32.782 1.00 13.23 C ATOM 319 C ASN A 23 -7.441 19.565 32.523 1.00 34.25 C ATOM 320 O ASN A 23 -8.548 19.749 32.015 1.00 63.31 O ATOM 321 CB ASN A 23 -6.842 21.398 34.117 1.00 51.35 C ATOM 322 CG ASN A 23 -6.091 22.699 34.327 1.00 60.21 C ATOM 323 OD1 ASN A 23 -6.656 23.685 34.799 1.00 1.52 O ATOM 324 ND2 ASN A 23 -4.810 22.706 33.976 1.00 73.42 N ATOM 0 H ASN A 23 -7.459 22.196 31.627 1.00 4.42 H new ATOM 0 HA ASN A 23 -5.476 20.351 32.828 1.00 13.23 H new ATOM 0 HB2 ASN A 23 -7.914 21.590 34.157 1.00 51.35 H new ATOM 0 HB3 ASN A 23 -6.610 20.712 34.932 1.00 51.35 H new ATOM 0 HD21 ASN A 23 -4.253 23.553 34.094 1.00 73.42 H new ATOM 0 HD22 ASN A 23 -4.383 21.865 33.588 1.00 73.42 H new ATOM 331 N ILE A 24 -6.998 18.363 32.877 1.00 1.33 N ATOM 332 CA ILE A 24 -7.805 17.165 32.685 1.00 64.30 C ATOM 333 C ILE A 24 -8.194 16.544 34.022 1.00 22.52 C ATOM 334 O ILE A 24 -7.407 16.537 34.967 1.00 4.05 O ATOM 335 CB ILE A 24 -7.059 16.114 31.841 1.00 32.22 C ATOM 336 CG1 ILE A 24 -6.881 16.613 30.406 1.00 40.40 C ATOM 337 CG2 ILE A 24 -7.811 14.791 31.858 1.00 42.11 C ATOM 338 CD1 ILE A 24 -8.186 16.793 29.662 1.00 22.51 C ATOM 0 H ILE A 24 -6.085 18.193 33.298 1.00 1.33 H new ATOM 0 HA ILE A 24 -8.706 17.473 32.155 1.00 64.30 H new ATOM 0 HB ILE A 24 -6.072 15.955 32.275 1.00 32.22 H new ATOM 0 HG12 ILE A 24 -6.348 17.564 30.424 1.00 40.40 H new ATOM 0 HG13 ILE A 24 -6.255 15.907 29.860 1.00 40.40 H new ATOM 0 HG21 ILE A 24 -7.272 14.058 31.257 1.00 42.11 H new ATOM 0 HG22 ILE A 24 -7.891 14.431 32.884 1.00 42.11 H new ATOM 0 HG23 ILE A 24 -8.809 14.935 31.445 1.00 42.11 H new ATOM 0 HD11 ILE A 24 -7.983 17.149 28.652 1.00 22.51 H new ATOM 0 HD12 ILE A 24 -8.711 15.839 29.612 1.00 22.51 H new ATOM 0 HD13 ILE A 24 -8.806 17.521 30.185 1.00 22.51 H new ATOM 350 N ASN A 25 -9.414 16.020 34.093 1.00 44.52 N ATOM 351 CA ASN A 25 -9.907 15.395 35.314 1.00 15.02 C ATOM 352 C ASN A 25 -10.766 14.176 34.992 1.00 22.53 C ATOM 353 O ASN A 25 -11.473 14.148 33.984 1.00 23.11 O ATOM 354 CB ASN A 25 -10.717 16.400 36.135 1.00 15.42 C ATOM 355 CG ASN A 25 -10.063 16.722 37.465 1.00 70.21 C ATOM 356 OD1 ASN A 25 -9.947 17.886 37.847 1.00 44.43 O ATOM 357 ND2 ASN A 25 -9.632 15.687 38.177 1.00 3.32 N ATOM 0 H ASN A 25 -10.079 16.016 33.319 1.00 44.52 H new ATOM 0 HA ASN A 25 -9.047 15.068 35.898 1.00 15.02 H new ATOM 0 HB2 ASN A 25 -10.839 17.319 35.561 1.00 15.42 H new ATOM 0 HB3 ASN A 25 -11.715 16.000 36.312 1.00 15.42 H new ATOM 0 HD21 ASN A 25 -9.184 15.841 39.080 1.00 3.32 H new ATOM 0 HD22 ASN A 25 -9.749 14.739 37.821 1.00 3.32 H new ATOM 364 N THR A 26 -10.700 13.167 35.856 1.00 1.34 N ATOM 365 CA THR A 26 -11.470 11.945 35.665 1.00 62.24 C ATOM 366 C THR A 26 -10.962 11.158 34.461 1.00 12.44 C ATOM 367 O THR A 26 -11.708 10.397 33.844 1.00 22.11 O ATOM 368 CB THR A 26 -12.967 12.249 35.470 1.00 33.44 C ATOM 369 OG1 THR A 26 -13.316 13.453 36.161 1.00 53.50 O ATOM 370 CG2 THR A 26 -13.823 11.099 35.981 1.00 53.31 C ATOM 0 H THR A 26 -10.120 13.173 36.695 1.00 1.34 H new ATOM 0 HA THR A 26 -11.343 11.347 36.567 1.00 62.24 H new ATOM 0 HB THR A 26 -13.154 12.375 34.404 1.00 33.44 H new ATOM 0 HG1 THR A 26 -14.269 13.640 36.031 1.00 53.50 H new ATOM 0 HG21 THR A 26 -14.877 11.336 35.833 1.00 53.31 H new ATOM 0 HG22 THR A 26 -13.575 10.190 35.433 1.00 53.31 H new ATOM 0 HG23 THR A 26 -13.631 10.947 37.043 1.00 53.31 H new ATOM 378 N THR A 27 -9.688 11.346 34.132 1.00 40.41 N ATOM 379 CA THR A 27 -9.081 10.655 33.002 1.00 63.11 C ATOM 380 C THR A 27 -9.700 11.106 31.684 1.00 44.30 C ATOM 381 O THR A 27 -10.788 10.666 31.315 1.00 73.24 O ATOM 382 CB THR A 27 -9.232 9.127 33.131 1.00 52.54 C ATOM 383 OG1 THR A 27 -9.382 8.764 34.508 1.00 51.44 O ATOM 384 CG2 THR A 27 -8.026 8.412 32.541 1.00 51.43 C ATOM 0 H THR A 27 -9.057 11.971 34.633 1.00 40.41 H new ATOM 0 HA THR A 27 -8.021 10.910 33.008 1.00 63.11 H new ATOM 0 HB THR A 27 -10.121 8.824 32.577 1.00 52.54 H new ATOM 0 HG1 THR A 27 -9.479 7.792 34.581 1.00 51.44 H new ATOM 0 HG21 THR A 27 -8.156 7.335 32.644 1.00 51.43 H new ATOM 0 HG22 THR A 27 -7.932 8.667 31.485 1.00 51.43 H new ATOM 0 HG23 THR A 27 -7.125 8.721 33.070 1.00 51.43 H new ATOM 392 N VAL A 28 -8.999 11.987 30.977 1.00 4.32 N ATOM 393 CA VAL A 28 -9.479 12.497 29.698 1.00 2.25 C ATOM 394 C VAL A 28 -8.324 12.731 28.732 1.00 43.55 C ATOM 395 O VAL A 28 -7.169 12.841 29.143 1.00 42.30 O ATOM 396 CB VAL A 28 -10.260 13.813 29.876 1.00 21.34 C ATOM 397 CG1 VAL A 28 -11.117 14.095 28.652 1.00 61.12 C ATOM 398 CG2 VAL A 28 -11.114 13.759 31.134 1.00 20.21 C ATOM 0 H VAL A 28 -8.097 12.362 31.269 1.00 4.32 H new ATOM 0 HA VAL A 28 -10.146 11.740 29.285 1.00 2.25 H new ATOM 0 HB VAL A 28 -9.545 14.628 29.984 1.00 21.34 H new ATOM 0 HG11 VAL A 28 -11.661 15.028 28.796 1.00 61.12 H new ATOM 0 HG12 VAL A 28 -10.479 14.179 27.772 1.00 61.12 H new ATOM 0 HG13 VAL A 28 -11.826 13.280 28.509 1.00 61.12 H new ATOM 0 HG21 VAL A 28 -11.659 14.697 31.244 1.00 20.21 H new ATOM 0 HG22 VAL A 28 -11.823 12.934 31.058 1.00 20.21 H new ATOM 0 HG23 VAL A 28 -10.473 13.607 32.003 1.00 20.21 H new ATOM 408 N SER A 29 -8.643 12.808 27.444 1.00 75.44 N ATOM 409 CA SER A 29 -7.632 13.026 26.416 1.00 23.14 C ATOM 410 C SER A 29 -7.641 14.477 25.944 1.00 20.43 C ATOM 411 O SER A 29 -8.695 15.039 25.646 1.00 32.53 O ATOM 412 CB SER A 29 -7.869 12.090 25.230 1.00 72.03 C ATOM 413 OG SER A 29 -9.102 11.403 25.361 1.00 65.30 O ATOM 0 H SER A 29 -9.595 12.723 27.087 1.00 75.44 H new ATOM 0 HA SER A 29 -6.656 12.810 26.850 1.00 23.14 H new ATOM 0 HB2 SER A 29 -7.866 12.664 24.303 1.00 72.03 H new ATOM 0 HB3 SER A 29 -7.053 11.370 25.162 1.00 72.03 H new ATOM 0 HG SER A 29 -9.231 10.812 24.590 1.00 65.30 H new ATOM 419 N LYS A 30 -6.458 15.078 25.879 1.00 51.32 N ATOM 420 CA LYS A 30 -6.327 16.463 25.442 1.00 2.32 C ATOM 421 C LYS A 30 -5.853 16.535 23.994 1.00 73.40 C ATOM 422 O LYS A 30 -4.969 15.783 23.583 1.00 14.25 O ATOM 423 CB LYS A 30 -5.348 17.214 26.348 1.00 40.45 C ATOM 424 CG LYS A 30 -6.023 18.194 27.292 1.00 25.13 C ATOM 425 CD LYS A 30 -6.243 19.544 26.632 1.00 44.44 C ATOM 426 CE LYS A 30 -7.714 19.931 26.630 1.00 24.01 C ATOM 427 NZ LYS A 30 -8.048 20.838 25.497 1.00 64.30 N ATOM 0 H LYS A 30 -5.576 14.628 26.123 1.00 51.32 H new ATOM 0 HA LYS A 30 -7.308 16.933 25.508 1.00 2.32 H new ATOM 0 HB2 LYS A 30 -4.780 16.491 26.933 1.00 40.45 H new ATOM 0 HB3 LYS A 30 -4.633 17.754 25.728 1.00 40.45 H new ATOM 0 HG2 LYS A 30 -6.980 17.787 27.617 1.00 25.13 H new ATOM 0 HG3 LYS A 30 -5.411 18.320 28.185 1.00 25.13 H new ATOM 0 HD2 LYS A 30 -5.666 20.305 27.157 1.00 44.44 H new ATOM 0 HD3 LYS A 30 -5.872 19.514 25.607 1.00 44.44 H new ATOM 0 HE2 LYS A 30 -8.326 19.031 26.567 1.00 24.01 H new ATOM 0 HE3 LYS A 30 -7.962 20.420 27.572 1.00 24.01 H new ATOM 0 HZ1 LYS A 30 -8.989 21.252 25.650 1.00 64.30 H new ATOM 0 HZ2 LYS A 30 -7.340 21.598 25.440 1.00 64.30 H new ATOM 0 HZ3 LYS A 30 -8.048 20.298 24.608 1.00 64.30 H new ATOM 441 N GLN A 31 -6.446 17.443 23.226 1.00 13.23 N ATOM 442 CA GLN A 31 -6.083 17.612 21.824 1.00 15.12 C ATOM 443 C GLN A 31 -5.485 18.993 21.579 1.00 2.34 C ATOM 444 O GLN A 31 -6.163 20.010 21.727 1.00 2.33 O ATOM 445 CB GLN A 31 -7.308 17.408 20.930 1.00 11.35 C ATOM 446 CG GLN A 31 -7.119 17.924 19.513 1.00 73.00 C ATOM 447 CD GLN A 31 -5.912 17.316 18.827 1.00 72.34 C ATOM 448 OE1 GLN A 31 -5.349 17.902 17.902 1.00 64.32 O ATOM 449 NE2 GLN A 31 -5.508 16.134 19.277 1.00 71.43 N ATOM 0 H GLN A 31 -7.180 18.073 23.551 1.00 13.23 H new ATOM 0 HA GLN A 31 -5.332 16.862 21.576 1.00 15.12 H new ATOM 0 HB2 GLN A 31 -7.547 16.345 20.892 1.00 11.35 H new ATOM 0 HB3 GLN A 31 -8.164 17.911 21.380 1.00 11.35 H new ATOM 0 HG2 GLN A 31 -8.013 17.705 18.929 1.00 73.00 H new ATOM 0 HG3 GLN A 31 -7.011 19.008 19.537 1.00 73.00 H new ATOM 0 HE21 GLN A 31 -6.004 15.684 20.046 1.00 71.43 H new ATOM 0 HE22 GLN A 31 -4.701 15.676 18.854 1.00 71.43 H new ATOM 458 N PHE A 32 -4.210 19.022 21.205 1.00 52.35 N ATOM 459 CA PHE A 32 -3.519 20.279 20.940 1.00 14.14 C ATOM 460 C PHE A 32 -3.388 20.522 19.440 1.00 44.42 C ATOM 461 O PHE A 32 -3.909 19.758 18.627 1.00 14.45 O ATOM 462 CB PHE A 32 -2.134 20.271 21.591 1.00 73.33 C ATOM 463 CG PHE A 32 -1.049 19.767 20.683 1.00 41.02 C ATOM 464 CD1 PHE A 32 -1.154 18.524 20.079 1.00 3.21 C ATOM 465 CD2 PHE A 32 0.076 20.536 20.433 1.00 52.44 C ATOM 466 CE1 PHE A 32 -0.156 18.058 19.244 1.00 10.20 C ATOM 467 CE2 PHE A 32 1.077 20.076 19.598 1.00 73.20 C ATOM 468 CZ PHE A 32 0.960 18.835 19.002 1.00 11.31 C ATOM 0 H PHE A 32 -3.634 18.190 21.079 1.00 52.35 H new ATOM 0 HA PHE A 32 -4.110 21.088 21.370 1.00 14.14 H new ATOM 0 HB2 PHE A 32 -1.887 21.283 21.913 1.00 73.33 H new ATOM 0 HB3 PHE A 32 -2.165 19.650 22.486 1.00 73.33 H new ATOM 0 HD1 PHE A 32 -2.025 17.913 20.263 1.00 3.21 H new ATOM 0 HD2 PHE A 32 0.172 21.507 20.896 1.00 52.44 H new ATOM 0 HE1 PHE A 32 -0.249 17.087 18.781 1.00 10.20 H new ATOM 0 HE2 PHE A 32 1.949 20.686 19.412 1.00 73.20 H new ATOM 0 HZ PHE A 32 1.740 18.473 18.348 1.00 11.31 H new ATOM 478 N PHE A 33 -2.687 21.593 19.079 1.00 20.53 N ATOM 479 CA PHE A 33 -2.487 21.939 17.677 1.00 73.31 C ATOM 480 C PHE A 33 -1.012 21.849 17.299 1.00 24.52 C ATOM 481 O PHE A 33 -0.139 22.263 18.061 1.00 24.32 O ATOM 482 CB PHE A 33 -3.011 23.349 17.398 1.00 34.11 C ATOM 483 CG PHE A 33 -4.431 23.375 16.909 1.00 34.12 C ATOM 484 CD1 PHE A 33 -5.445 22.795 17.655 1.00 54.34 C ATOM 485 CD2 PHE A 33 -4.752 23.979 15.704 1.00 13.45 C ATOM 486 CE1 PHE A 33 -6.753 22.817 17.206 1.00 4.25 C ATOM 487 CE2 PHE A 33 -6.058 24.005 15.251 1.00 21.24 C ATOM 488 CZ PHE A 33 -7.059 23.424 16.004 1.00 34.31 C ATOM 0 H PHE A 33 -2.248 22.236 19.739 1.00 20.53 H new ATOM 0 HA PHE A 33 -3.044 21.225 17.070 1.00 73.31 H new ATOM 0 HB2 PHE A 33 -2.938 23.942 18.310 1.00 34.11 H new ATOM 0 HB3 PHE A 33 -2.371 23.826 16.656 1.00 34.11 H new ATOM 0 HD1 PHE A 33 -5.211 22.321 18.597 1.00 54.34 H new ATOM 0 HD2 PHE A 33 -3.973 24.435 15.111 1.00 13.45 H new ATOM 0 HE1 PHE A 33 -7.534 22.360 17.795 1.00 4.25 H new ATOM 0 HE2 PHE A 33 -6.295 24.479 14.310 1.00 21.24 H new ATOM 0 HZ PHE A 33 -8.080 23.444 15.653 1.00 34.31 H new ATOM 498 N ALA A 34 -0.742 21.303 16.118 1.00 43.44 N ATOM 499 CA ALA A 34 0.627 21.160 15.637 1.00 30.34 C ATOM 500 C ALA A 34 0.712 21.416 14.137 1.00 40.14 C ATOM 501 O ALA A 34 -0.057 20.855 13.356 1.00 23.50 O ATOM 502 CB ALA A 34 1.160 19.774 15.969 1.00 72.41 C ATOM 0 H ALA A 34 -1.453 20.952 15.476 1.00 43.44 H new ATOM 0 HA ALA A 34 1.243 21.905 16.141 1.00 30.34 H new ATOM 0 HB1 ALA A 34 2.183 19.681 15.604 1.00 72.41 H new ATOM 0 HB2 ALA A 34 1.145 19.627 17.049 1.00 72.41 H new ATOM 0 HB3 ALA A 34 0.534 19.020 15.492 1.00 72.41 H new ATOM 508 N VAL A 35 1.651 22.269 13.739 1.00 61.32 N ATOM 509 CA VAL A 35 1.837 22.599 12.331 1.00 53.40 C ATOM 510 C VAL A 35 3.297 22.452 11.920 1.00 44.31 C ATOM 511 O VAL A 35 4.203 22.843 12.656 1.00 53.03 O ATOM 512 CB VAL A 35 1.371 24.035 12.026 1.00 50.44 C ATOM 513 CG1 VAL A 35 -0.134 24.158 12.205 1.00 15.23 C ATOM 514 CG2 VAL A 35 2.105 25.032 12.910 1.00 52.44 C ATOM 0 H VAL A 35 2.295 22.744 14.372 1.00 61.32 H new ATOM 0 HA VAL A 35 1.230 21.898 11.758 1.00 53.40 H new ATOM 0 HB VAL A 35 1.608 24.262 10.987 1.00 50.44 H new ATOM 0 HG11 VAL A 35 -0.444 25.180 11.985 1.00 15.23 H new ATOM 0 HG12 VAL A 35 -0.639 23.471 11.525 1.00 15.23 H new ATOM 0 HG13 VAL A 35 -0.399 23.912 13.233 1.00 15.23 H new ATOM 0 HG21 VAL A 35 1.763 26.042 12.681 1.00 52.44 H new ATOM 0 HG22 VAL A 35 1.901 24.809 13.957 1.00 52.44 H new ATOM 0 HG23 VAL A 35 3.177 24.961 12.726 1.00 52.44 H new ATOM 524 N GLY A 36 3.520 21.886 10.738 1.00 71.13 N ATOM 525 CA GLY A 36 4.873 21.697 10.248 1.00 10.33 C ATOM 526 C GLY A 36 5.051 22.197 8.828 1.00 32.22 C ATOM 527 O GLY A 36 4.195 21.975 7.971 1.00 34.53 O ATOM 0 H GLY A 36 2.787 21.555 10.111 1.00 71.13 H new ATOM 0 HA2 GLY A 36 5.570 22.219 10.904 1.00 10.33 H new ATOM 0 HA3 GLY A 36 5.127 20.638 10.291 1.00 10.33 H new ATOM 531 N THR A 37 6.166 22.876 8.576 1.00 14.15 N ATOM 532 CA THR A 37 6.452 23.411 7.251 1.00 12.35 C ATOM 533 C THR A 37 7.657 22.717 6.627 1.00 52.32 C ATOM 534 O THR A 37 8.765 22.775 7.161 1.00 34.12 O ATOM 535 CB THR A 37 6.717 24.928 7.303 1.00 31.33 C ATOM 536 OG1 THR A 37 7.078 25.317 8.633 1.00 33.23 O ATOM 537 CG2 THR A 37 5.489 25.707 6.857 1.00 42.31 C ATOM 0 H THR A 37 6.886 23.068 9.273 1.00 14.15 H new ATOM 0 HA THR A 37 5.571 23.225 6.637 1.00 12.35 H new ATOM 0 HB THR A 37 7.538 25.155 6.623 1.00 31.33 H new ATOM 0 HG1 THR A 37 7.812 24.752 8.951 1.00 33.23 H new ATOM 0 HG21 THR A 37 5.700 26.775 6.902 1.00 42.31 H new ATOM 0 HG22 THR A 37 5.234 25.430 5.834 1.00 42.31 H new ATOM 0 HG23 THR A 37 4.652 25.474 7.515 1.00 42.31 H new ATOM 545 N TYR A 38 7.434 22.063 5.493 1.00 61.53 N ATOM 546 CA TYR A 38 8.502 21.356 4.796 1.00 62.31 C ATOM 547 C TYR A 38 9.388 22.330 4.026 1.00 5.10 C ATOM 548 O TYR A 38 8.920 23.356 3.532 1.00 32.41 O ATOM 549 CB TYR A 38 7.915 20.317 3.838 1.00 1.35 C ATOM 550 CG TYR A 38 8.596 18.970 3.915 1.00 64.40 C ATOM 551 CD1 TYR A 38 8.242 18.044 4.889 1.00 13.40 C ATOM 552 CD2 TYR A 38 9.595 18.622 3.014 1.00 24.12 C ATOM 553 CE1 TYR A 38 8.862 16.812 4.963 1.00 12.13 C ATOM 554 CE2 TYR A 38 10.220 17.391 3.080 1.00 52.50 C ATOM 555 CZ TYR A 38 9.850 16.490 4.056 1.00 12.23 C ATOM 556 OH TYR A 38 10.470 15.264 4.126 1.00 25.01 O ATOM 0 H TYR A 38 6.523 22.008 5.037 1.00 61.53 H new ATOM 0 HA TYR A 38 9.113 20.848 5.542 1.00 62.31 H new ATOM 0 HB2 TYR A 38 6.855 20.192 4.057 1.00 1.35 H new ATOM 0 HB3 TYR A 38 7.988 20.694 2.818 1.00 1.35 H new ATOM 0 HD1 TYR A 38 7.468 18.292 5.601 1.00 13.40 H new ATOM 0 HD2 TYR A 38 9.888 19.326 2.249 1.00 24.12 H new ATOM 0 HE1 TYR A 38 8.575 16.105 5.727 1.00 12.13 H new ATOM 0 HE2 TYR A 38 10.994 17.136 2.371 1.00 52.50 H new ATOM 0 HH TYR A 38 10.753 14.989 3.229 1.00 25.01 H new ATOM 566 N SER A 39 10.673 22.001 3.928 1.00 75.10 N ATOM 567 CA SER A 39 11.627 22.847 3.221 1.00 12.32 C ATOM 568 C SER A 39 11.238 22.995 1.753 1.00 3.53 C ATOM 569 O SER A 39 11.657 23.938 1.081 1.00 63.10 O ATOM 570 CB SER A 39 13.037 22.264 3.331 1.00 11.10 C ATOM 571 OG SER A 39 13.996 23.140 2.765 1.00 64.22 O ATOM 0 H SER A 39 11.077 21.155 4.329 1.00 75.10 H new ATOM 0 HA SER A 39 11.613 23.834 3.684 1.00 12.32 H new ATOM 0 HB2 SER A 39 13.278 22.083 4.378 1.00 11.10 H new ATOM 0 HB3 SER A 39 13.076 21.300 2.824 1.00 11.10 H new ATOM 0 HG SER A 39 14.889 22.746 2.849 1.00 64.22 H new ATOM 577 N ASP A 40 10.435 22.058 1.263 1.00 21.21 N ATOM 578 CA ASP A 40 9.988 22.083 -0.125 1.00 2.12 C ATOM 579 C ASP A 40 9.005 23.226 -0.359 1.00 5.25 C ATOM 580 O ASP A 40 8.663 23.541 -1.497 1.00 42.05 O ATOM 581 CB ASP A 40 9.337 20.750 -0.498 1.00 3.23 C ATOM 582 CG ASP A 40 9.396 20.474 -1.987 1.00 71.12 C ATOM 583 OD1 ASP A 40 10.147 21.180 -2.693 1.00 30.32 O ATOM 584 OD2 ASP A 40 8.691 19.551 -2.447 1.00 44.42 O ATOM 0 H ASP A 40 10.080 21.271 1.806 1.00 21.21 H new ATOM 0 HA ASP A 40 10.860 22.242 -0.759 1.00 2.12 H new ATOM 0 HB2 ASP A 40 9.836 19.943 0.038 1.00 3.23 H new ATOM 0 HB3 ASP A 40 8.297 20.753 -0.173 1.00 3.23 H new ATOM 589 N GLY A 41 8.554 23.844 0.729 1.00 21.21 N ATOM 590 CA GLY A 41 7.614 24.944 0.621 1.00 1.20 C ATOM 591 C GLY A 41 6.177 24.500 0.811 1.00 3.24 C ATOM 592 O GLY A 41 5.291 24.894 0.052 1.00 3.00 O ATOM 0 H GLY A 41 8.823 23.602 1.683 1.00 21.21 H new ATOM 0 HA2 GLY A 41 7.859 25.701 1.366 1.00 1.20 H new ATOM 0 HA3 GLY A 41 7.720 25.413 -0.357 1.00 1.20 H new ATOM 596 N THR A 42 5.944 23.676 1.828 1.00 70.52 N ATOM 597 CA THR A 42 4.606 23.175 2.114 1.00 35.11 C ATOM 598 C THR A 42 4.257 23.349 3.588 1.00 70.12 C ATOM 599 O THR A 42 5.124 23.641 4.412 1.00 42.05 O ATOM 600 CB THR A 42 4.470 21.687 1.738 1.00 12.33 C ATOM 601 OG1 THR A 42 5.172 20.876 2.687 1.00 43.42 O ATOM 602 CG2 THR A 42 5.015 21.430 0.342 1.00 52.05 C ATOM 0 H THR A 42 6.665 23.342 2.467 1.00 70.52 H new ATOM 0 HA THR A 42 3.914 23.760 1.508 1.00 35.11 H new ATOM 0 HB THR A 42 3.412 21.427 1.751 1.00 12.33 H new ATOM 0 HG1 THR A 42 5.755 20.248 2.212 1.00 43.42 H new ATOM 0 HG21 THR A 42 4.908 20.373 0.099 1.00 52.05 H new ATOM 0 HG22 THR A 42 4.459 22.027 -0.381 1.00 52.05 H new ATOM 0 HG23 THR A 42 6.069 21.706 0.306 1.00 52.05 H new ATOM 610 N LYS A 43 2.982 23.167 3.915 1.00 41.11 N ATOM 611 CA LYS A 43 2.518 23.302 5.291 1.00 71.25 C ATOM 612 C LYS A 43 1.390 22.317 5.583 1.00 4.02 C ATOM 613 O LYS A 43 0.400 22.258 4.855 1.00 44.23 O ATOM 614 CB LYS A 43 2.041 24.732 5.552 1.00 54.23 C ATOM 615 CG LYS A 43 1.496 24.945 6.953 1.00 13.24 C ATOM 616 CD LYS A 43 -0.011 25.141 6.942 1.00 10.21 C ATOM 617 CE LYS A 43 -0.382 26.598 6.708 1.00 61.41 C ATOM 618 NZ LYS A 43 0.006 27.460 7.858 1.00 53.50 N ATOM 0 H LYS A 43 2.251 22.926 3.246 1.00 41.11 H new ATOM 0 HA LYS A 43 3.354 23.078 5.954 1.00 71.25 H new ATOM 0 HB2 LYS A 43 2.871 25.419 5.386 1.00 54.23 H new ATOM 0 HB3 LYS A 43 1.267 24.986 4.828 1.00 54.23 H new ATOM 0 HG2 LYS A 43 1.748 24.087 7.576 1.00 13.24 H new ATOM 0 HG3 LYS A 43 1.974 25.816 7.402 1.00 13.24 H new ATOM 0 HD2 LYS A 43 -0.454 24.522 6.162 1.00 10.21 H new ATOM 0 HD3 LYS A 43 -0.430 24.806 7.891 1.00 10.21 H new ATOM 0 HE2 LYS A 43 0.109 26.957 5.803 1.00 61.41 H new ATOM 0 HE3 LYS A 43 -1.456 26.677 6.541 1.00 61.41 H new ATOM 0 HZ1 LYS A 43 -0.565 28.329 7.849 1.00 53.50 H new ATOM 0 HZ2 LYS A 43 -0.159 26.947 8.748 1.00 53.50 H new ATOM 0 HZ3 LYS A 43 1.013 27.707 7.782 1.00 53.50 H new ATOM 632 N ALA A 44 1.547 21.547 6.655 1.00 61.53 N ATOM 633 CA ALA A 44 0.541 20.567 7.045 1.00 14.22 C ATOM 634 C ALA A 44 0.649 20.230 8.528 1.00 22.13 C ATOM 635 O ALA A 44 1.744 20.207 9.091 1.00 50.20 O ATOM 636 CB ALA A 44 0.676 19.307 6.204 1.00 64.31 C ATOM 0 H ALA A 44 2.361 21.583 7.269 1.00 61.53 H new ATOM 0 HA ALA A 44 -0.442 21.003 6.869 1.00 14.22 H new ATOM 0 HB1 ALA A 44 -0.082 18.585 6.507 1.00 64.31 H new ATOM 0 HB2 ALA A 44 0.540 19.556 5.151 1.00 64.31 H new ATOM 0 HB3 ALA A 44 1.667 18.876 6.350 1.00 64.31 H new ATOM 642 N ASP A 45 -0.492 19.969 9.156 1.00 52.30 N ATOM 643 CA ASP A 45 -0.525 19.633 10.575 1.00 72.34 C ATOM 644 C ASP A 45 0.122 18.275 10.826 1.00 24.40 C ATOM 645 O ASP A 45 -0.448 17.233 10.500 1.00 72.20 O ATOM 646 CB ASP A 45 -1.967 19.627 11.086 1.00 63.22 C ATOM 647 CG ASP A 45 -2.636 20.980 10.945 1.00 34.42 C ATOM 648 OD1 ASP A 45 -3.095 21.301 9.829 1.00 35.23 O ATOM 649 OD2 ASP A 45 -2.701 21.718 11.951 1.00 63.42 O ATOM 0 H ASP A 45 -1.407 19.984 8.705 1.00 52.30 H new ATOM 0 HA ASP A 45 0.041 20.391 11.116 1.00 72.34 H new ATOM 0 HB2 ASP A 45 -2.541 18.882 10.536 1.00 63.22 H new ATOM 0 HB3 ASP A 45 -1.977 19.327 12.134 1.00 63.22 H new ATOM 654 N LEU A 46 1.317 18.293 11.407 1.00 41.15 N ATOM 655 CA LEU A 46 2.044 17.063 11.701 1.00 32.11 C ATOM 656 C LEU A 46 2.149 16.840 13.206 1.00 31.33 C ATOM 657 O LEU A 46 2.669 17.684 13.936 1.00 45.41 O ATOM 658 CB LEU A 46 3.442 17.113 11.083 1.00 71.45 C ATOM 659 CG LEU A 46 3.507 17.473 9.598 1.00 74.32 C ATOM 660 CD1 LEU A 46 4.770 18.263 9.295 1.00 62.43 C ATOM 661 CD2 LEU A 46 3.442 16.217 8.741 1.00 22.41 C ATOM 0 H LEU A 46 1.803 19.146 11.684 1.00 41.15 H new ATOM 0 HA LEU A 46 1.491 16.230 11.266 1.00 32.11 H new ATOM 0 HB2 LEU A 46 4.037 17.838 11.638 1.00 71.45 H new ATOM 0 HB3 LEU A 46 3.914 16.140 11.221 1.00 71.45 H new ATOM 0 HG LEU A 46 2.647 18.097 9.357 1.00 74.32 H new ATOM 0 HD11 LEU A 46 4.799 18.510 8.234 1.00 62.43 H new ATOM 0 HD12 LEU A 46 4.774 19.182 9.882 1.00 62.43 H new ATOM 0 HD13 LEU A 46 5.644 17.664 9.552 1.00 62.43 H new ATOM 0 HD21 LEU A 46 3.489 16.493 7.687 1.00 22.41 H new ATOM 0 HD22 LEU A 46 4.282 15.567 8.984 1.00 22.41 H new ATOM 0 HD23 LEU A 46 2.508 15.691 8.937 1.00 22.41 H new ATOM 673 N THR A 47 1.653 15.695 13.666 1.00 53.11 N ATOM 674 CA THR A 47 1.692 15.360 15.084 1.00 75.34 C ATOM 675 C THR A 47 2.395 14.027 15.314 1.00 13.13 C ATOM 676 O THR A 47 3.102 13.851 16.306 1.00 5.30 O ATOM 677 CB THR A 47 0.274 15.290 15.683 1.00 4.14 C ATOM 678 OG1 THR A 47 -0.542 14.404 14.910 1.00 70.03 O ATOM 679 CG2 THR A 47 -0.364 16.670 15.725 1.00 51.23 C ATOM 0 H THR A 47 1.220 14.984 13.077 1.00 53.11 H new ATOM 0 HA THR A 47 2.250 16.153 15.582 1.00 75.34 H new ATOM 0 HB THR A 47 0.353 14.912 16.703 1.00 4.14 H new ATOM 0 HG1 THR A 47 -0.858 13.671 15.478 1.00 70.03 H new ATOM 0 HG21 THR A 47 -1.364 16.596 16.152 1.00 51.23 H new ATOM 0 HG22 THR A 47 0.244 17.333 16.340 1.00 51.23 H new ATOM 0 HG23 THR A 47 -0.430 17.071 14.714 1.00 51.23 H new ATOM 687 N SER A 48 2.196 13.091 14.392 1.00 31.21 N ATOM 688 CA SER A 48 2.809 11.772 14.497 1.00 20.10 C ATOM 689 C SER A 48 4.264 11.812 14.041 1.00 24.30 C ATOM 690 O SER A 48 5.085 11.004 14.477 1.00 42.35 O ATOM 691 CB SER A 48 2.029 10.755 13.662 1.00 55.44 C ATOM 692 OG SER A 48 2.570 9.454 13.806 1.00 71.32 O ATOM 0 H SER A 48 1.615 13.221 13.564 1.00 31.21 H new ATOM 0 HA SER A 48 2.782 11.469 15.544 1.00 20.10 H new ATOM 0 HB2 SER A 48 0.983 10.753 13.969 1.00 55.44 H new ATOM 0 HB3 SER A 48 2.052 11.048 12.612 1.00 55.44 H new ATOM 0 HG SER A 48 2.053 8.823 13.264 1.00 71.32 H new ATOM 698 N SER A 49 4.577 12.757 13.161 1.00 55.43 N ATOM 699 CA SER A 49 5.932 12.901 12.642 1.00 54.35 C ATOM 700 C SER A 49 6.895 13.322 13.747 1.00 21.12 C ATOM 701 O SER A 49 8.002 12.794 13.856 1.00 50.10 O ATOM 702 CB SER A 49 5.960 13.928 11.507 1.00 35.25 C ATOM 703 OG SER A 49 5.486 13.363 10.297 1.00 42.31 O ATOM 0 H SER A 49 3.910 13.435 12.792 1.00 55.43 H new ATOM 0 HA SER A 49 6.251 11.933 12.255 1.00 54.35 H new ATOM 0 HB2 SER A 49 5.347 14.788 11.775 1.00 35.25 H new ATOM 0 HB3 SER A 49 6.978 14.293 11.368 1.00 35.25 H new ATOM 0 HG SER A 49 5.659 13.982 9.557 1.00 42.31 H new ATOM 709 N VAL A 50 6.466 14.277 14.566 1.00 35.44 N ATOM 710 CA VAL A 50 7.288 14.769 15.665 1.00 62.40 C ATOM 711 C VAL A 50 7.346 13.757 16.804 1.00 21.10 C ATOM 712 O VAL A 50 6.376 13.046 17.069 1.00 51.23 O ATOM 713 CB VAL A 50 6.756 16.108 16.209 1.00 72.41 C ATOM 714 CG1 VAL A 50 6.556 17.103 15.076 1.00 74.41 C ATOM 715 CG2 VAL A 50 5.460 15.893 16.976 1.00 0.12 C ATOM 0 H VAL A 50 5.553 14.726 14.489 1.00 35.44 H new ATOM 0 HA VAL A 50 8.291 14.921 15.266 1.00 62.40 H new ATOM 0 HB VAL A 50 7.494 16.521 16.896 1.00 72.41 H new ATOM 0 HG11 VAL A 50 6.180 18.043 15.480 1.00 74.41 H new ATOM 0 HG12 VAL A 50 7.507 17.279 14.574 1.00 74.41 H new ATOM 0 HG13 VAL A 50 5.837 16.701 14.362 1.00 74.41 H new ATOM 0 HG21 VAL A 50 5.098 16.849 17.354 1.00 0.12 H new ATOM 0 HG22 VAL A 50 4.712 15.458 16.313 1.00 0.12 H new ATOM 0 HG23 VAL A 50 5.640 15.217 17.812 1.00 0.12 H new ATOM 725 N THR A 51 8.491 13.697 17.477 1.00 20.32 N ATOM 726 CA THR A 51 8.677 12.772 18.588 1.00 33.30 C ATOM 727 C THR A 51 8.148 13.363 19.890 1.00 75.52 C ATOM 728 O THR A 51 8.368 14.537 20.184 1.00 53.54 O ATOM 729 CB THR A 51 10.161 12.404 18.771 1.00 63.14 C ATOM 730 OG1 THR A 51 10.901 12.755 17.596 1.00 2.41 O ATOM 731 CG2 THR A 51 10.320 10.917 19.050 1.00 20.00 C ATOM 0 H THR A 51 9.304 14.278 17.272 1.00 20.32 H new ATOM 0 HA THR A 51 8.114 11.871 18.346 1.00 33.30 H new ATOM 0 HB THR A 51 10.548 12.961 19.624 1.00 63.14 H new ATOM 0 HG1 THR A 51 11.844 12.519 17.721 1.00 2.41 H new ATOM 0 HG21 THR A 51 11.377 10.681 19.176 1.00 20.00 H new ATOM 0 HG22 THR A 51 9.780 10.658 19.961 1.00 20.00 H new ATOM 0 HG23 THR A 51 9.918 10.345 18.214 1.00 20.00 H new ATOM 739 N TRP A 52 7.450 12.541 20.666 1.00 1.21 N ATOM 740 CA TRP A 52 6.890 12.983 21.938 1.00 11.51 C ATOM 741 C TRP A 52 7.646 12.367 23.110 1.00 44.33 C ATOM 742 O TRP A 52 7.897 11.162 23.134 1.00 44.54 O ATOM 743 CB TRP A 52 5.408 12.615 22.022 1.00 53.23 C ATOM 744 CG TRP A 52 4.548 13.392 21.071 1.00 41.11 C ATOM 745 CD1 TRP A 52 4.621 13.385 19.707 1.00 1.02 C ATOM 746 CD2 TRP A 52 3.488 14.291 21.413 1.00 12.14 C ATOM 747 NE1 TRP A 52 3.670 14.226 19.181 1.00 31.32 N ATOM 748 CE2 TRP A 52 2.961 14.793 20.207 1.00 21.10 C ATOM 749 CE3 TRP A 52 2.931 14.720 22.621 1.00 34.41 C ATOM 750 CZ2 TRP A 52 1.906 15.701 20.176 1.00 4.25 C ATOM 751 CZ3 TRP A 52 1.884 15.621 22.589 1.00 0.31 C ATOM 752 CH2 TRP A 52 1.380 16.104 21.374 1.00 61.32 C ATOM 0 H TRP A 52 7.259 11.566 20.437 1.00 1.21 H new ATOM 0 HA TRP A 52 6.992 14.067 21.994 1.00 11.51 H new ATOM 0 HB2 TRP A 52 5.293 11.551 21.818 1.00 53.23 H new ATOM 0 HB3 TRP A 52 5.056 12.784 23.040 1.00 53.23 H new ATOM 0 HD1 TRP A 52 5.323 12.804 19.127 1.00 1.02 H new ATOM 0 HE1 TRP A 52 3.517 14.400 18.188 1.00 31.32 H new ATOM 0 HE3 TRP A 52 3.312 14.354 23.563 1.00 34.41 H new ATOM 0 HZ2 TRP A 52 1.516 16.074 19.240 1.00 4.25 H new ATOM 0 HZ3 TRP A 52 1.446 15.959 23.517 1.00 0.31 H new ATOM 0 HH2 TRP A 52 0.561 16.808 21.383 1.00 61.32 H new ATOM 763 N SER A 53 8.007 13.201 24.080 1.00 41.11 N ATOM 764 CA SER A 53 8.739 12.738 25.253 1.00 35.23 C ATOM 765 C SER A 53 8.324 13.520 26.496 1.00 41.43 C ATOM 766 O SER A 53 8.620 14.709 26.622 1.00 73.34 O ATOM 767 CB SER A 53 10.245 12.876 25.029 1.00 45.24 C ATOM 768 OG SER A 53 10.862 11.606 24.910 1.00 22.14 O ATOM 0 H SER A 53 7.804 14.201 24.077 1.00 41.11 H new ATOM 0 HA SER A 53 8.498 11.687 25.409 1.00 35.23 H new ATOM 0 HB2 SER A 53 10.430 13.459 24.127 1.00 45.24 H new ATOM 0 HB3 SER A 53 10.691 13.424 25.859 1.00 45.24 H new ATOM 0 HG SER A 53 11.824 11.722 24.766 1.00 22.14 H new ATOM 774 N SER A 54 7.637 12.845 27.411 1.00 23.43 N ATOM 775 CA SER A 54 7.178 13.476 28.643 1.00 41.22 C ATOM 776 C SER A 54 7.866 12.862 29.858 1.00 65.11 C ATOM 777 O SER A 54 8.302 11.711 29.823 1.00 52.04 O ATOM 778 CB SER A 54 5.661 13.337 28.777 1.00 35.54 C ATOM 779 OG SER A 54 5.097 12.750 27.617 1.00 44.44 O ATOM 0 H SER A 54 7.386 11.860 27.323 1.00 23.43 H new ATOM 0 HA SER A 54 7.436 14.534 28.598 1.00 41.22 H new ATOM 0 HB2 SER A 54 5.424 12.727 29.649 1.00 35.54 H new ATOM 0 HB3 SER A 54 5.216 14.318 28.945 1.00 35.54 H new ATOM 0 HG SER A 54 4.139 12.954 27.580 1.00 44.44 H new ATOM 785 N SER A 55 7.961 13.639 30.932 1.00 30.32 N ATOM 786 CA SER A 55 8.600 13.174 32.158 1.00 74.20 C ATOM 787 C SER A 55 8.010 11.839 32.605 1.00 45.30 C ATOM 788 O SER A 55 8.643 10.793 32.470 1.00 72.15 O ATOM 789 CB SER A 55 8.437 14.213 33.269 1.00 44.44 C ATOM 790 OG SER A 55 9.472 15.180 33.217 1.00 3.22 O ATOM 0 H SER A 55 7.604 14.593 30.978 1.00 30.32 H new ATOM 0 HA SER A 55 9.662 13.033 31.954 1.00 74.20 H new ATOM 0 HB2 SER A 55 7.469 14.705 33.172 1.00 44.44 H new ATOM 0 HB3 SER A 55 8.446 13.717 34.240 1.00 44.44 H new ATOM 0 HG SER A 55 9.345 15.834 33.936 1.00 3.22 H new ATOM 796 N ASN A 56 6.794 11.886 33.139 1.00 62.22 N ATOM 797 CA ASN A 56 6.118 10.681 33.607 1.00 44.20 C ATOM 798 C ASN A 56 5.760 9.769 32.438 1.00 41.14 C ATOM 799 O ASN A 56 4.943 10.125 31.589 1.00 62.13 O ATOM 800 CB ASN A 56 4.855 11.050 34.386 1.00 14.42 C ATOM 801 CG ASN A 56 5.151 11.932 35.584 1.00 31.54 C ATOM 802 OD1 ASN A 56 6.131 11.719 36.298 1.00 63.10 O ATOM 803 ND2 ASN A 56 4.302 12.927 35.811 1.00 51.22 N ATOM 0 H ASN A 56 6.257 12.745 33.258 1.00 62.22 H new ATOM 0 HA ASN A 56 6.800 10.145 34.267 1.00 44.20 H new ATOM 0 HB2 ASN A 56 4.160 11.564 33.723 1.00 14.42 H new ATOM 0 HB3 ASN A 56 4.360 10.139 34.722 1.00 14.42 H new ATOM 0 HD21 ASN A 56 4.449 13.552 36.604 1.00 51.22 H new ATOM 0 HD22 ASN A 56 3.503 13.066 35.193 1.00 51.22 H new ATOM 810 N GLN A 57 6.377 8.592 32.402 1.00 54.34 N ATOM 811 CA GLN A 57 6.122 7.630 31.336 1.00 24.54 C ATOM 812 C GLN A 57 4.735 7.013 31.480 1.00 70.31 C ATOM 813 O GLN A 57 4.248 6.338 30.573 1.00 62.22 O ATOM 814 CB GLN A 57 7.186 6.530 31.349 1.00 0.32 C ATOM 815 CG GLN A 57 7.626 6.094 29.961 1.00 25.33 C ATOM 816 CD GLN A 57 6.866 4.881 29.462 1.00 55.41 C ATOM 817 OE1 GLN A 57 6.075 4.974 28.522 1.00 31.04 O ATOM 818 NE2 GLN A 57 7.101 3.735 30.089 1.00 34.21 N ATOM 0 H GLN A 57 7.056 8.282 33.097 1.00 54.34 H new ATOM 0 HA GLN A 57 6.167 8.159 30.384 1.00 24.54 H new ATOM 0 HB2 GLN A 57 8.056 6.884 31.903 1.00 0.32 H new ATOM 0 HB3 GLN A 57 6.796 5.665 31.886 1.00 0.32 H new ATOM 0 HG2 GLN A 57 7.484 6.919 29.263 1.00 25.33 H new ATOM 0 HG3 GLN A 57 8.692 5.869 29.976 1.00 25.33 H new ATOM 0 HE21 GLN A 57 7.765 3.704 30.863 1.00 34.21 H new ATOM 0 HE22 GLN A 57 6.618 2.885 29.797 1.00 34.21 H new ATOM 827 N SER A 58 4.103 7.249 32.625 1.00 24.44 N ATOM 828 CA SER A 58 2.773 6.713 32.889 1.00 23.44 C ATOM 829 C SER A 58 1.702 7.557 32.206 1.00 71.33 C ATOM 830 O SER A 58 0.730 7.027 31.668 1.00 50.13 O ATOM 831 CB SER A 58 2.512 6.659 34.396 1.00 72.42 C ATOM 832 OG SER A 58 2.762 5.362 34.911 1.00 51.23 O ATOM 0 H SER A 58 4.491 7.808 33.385 1.00 24.44 H new ATOM 0 HA SER A 58 2.728 5.702 32.483 1.00 23.44 H new ATOM 0 HB2 SER A 58 3.147 7.384 34.904 1.00 72.42 H new ATOM 0 HB3 SER A 58 1.479 6.942 34.600 1.00 72.42 H new ATOM 0 HG SER A 58 2.590 5.354 35.876 1.00 51.23 H new ATOM 838 N GLN A 59 1.888 8.872 32.232 1.00 41.41 N ATOM 839 CA GLN A 59 0.937 9.790 31.616 1.00 45.34 C ATOM 840 C GLN A 59 1.419 10.227 30.236 1.00 52.11 C ATOM 841 O GLN A 59 0.709 10.924 29.512 1.00 14.31 O ATOM 842 CB GLN A 59 0.728 11.016 32.507 1.00 30.52 C ATOM 843 CG GLN A 59 1.238 10.829 33.927 1.00 31.01 C ATOM 844 CD GLN A 59 0.661 11.846 34.893 1.00 62.45 C ATOM 845 OE1 GLN A 59 0.073 12.846 34.481 1.00 41.03 O ATOM 846 NE2 GLN A 59 0.827 11.594 36.186 1.00 55.31 N ATOM 0 H GLN A 59 2.688 9.326 32.673 1.00 41.41 H new ATOM 0 HA GLN A 59 -0.012 9.267 31.501 1.00 45.34 H new ATOM 0 HB2 GLN A 59 1.233 11.872 32.058 1.00 30.52 H new ATOM 0 HB3 GLN A 59 -0.335 11.254 32.540 1.00 30.52 H new ATOM 0 HG2 GLN A 59 0.987 9.825 34.270 1.00 31.01 H new ATOM 0 HG3 GLN A 59 2.325 10.905 33.932 1.00 31.01 H new ATOM 0 HE21 GLN A 59 1.321 10.752 36.482 1.00 55.31 H new ATOM 0 HE22 GLN A 59 0.460 12.242 36.883 1.00 55.31 H new ATOM 855 N ALA A 60 2.630 9.813 29.879 1.00 71.55 N ATOM 856 CA ALA A 60 3.205 10.160 28.585 1.00 23.31 C ATOM 857 C ALA A 60 2.656 9.263 27.481 1.00 34.42 C ATOM 858 O ALA A 60 3.387 8.469 26.890 1.00 65.52 O ATOM 859 CB ALA A 60 4.723 10.063 28.640 1.00 52.35 C ATOM 0 H ALA A 60 3.232 9.237 30.467 1.00 71.55 H new ATOM 0 HA ALA A 60 2.925 11.188 28.354 1.00 23.31 H new ATOM 0 HB1 ALA A 60 5.140 10.325 27.667 1.00 52.35 H new ATOM 0 HB2 ALA A 60 5.104 10.750 29.395 1.00 52.35 H new ATOM 0 HB3 ALA A 60 5.013 9.044 28.897 1.00 52.35 H new ATOM 865 N LYS A 61 1.362 9.394 27.208 1.00 31.52 N ATOM 866 CA LYS A 61 0.713 8.595 26.175 1.00 50.53 C ATOM 867 C LYS A 61 0.145 9.487 25.075 1.00 1.11 C ATOM 868 O LYS A 61 -0.436 10.537 25.351 1.00 34.54 O ATOM 869 CB LYS A 61 -0.404 7.745 26.784 1.00 0.22 C ATOM 870 CG LYS A 61 -0.329 6.277 26.401 1.00 4.24 C ATOM 871 CD LYS A 61 0.278 5.441 27.516 1.00 61.14 C ATOM 872 CE LYS A 61 1.504 4.678 27.036 1.00 53.41 C ATOM 873 NZ LYS A 61 1.825 3.529 27.926 1.00 61.41 N ATOM 0 H LYS A 61 0.742 10.046 27.688 1.00 31.52 H new ATOM 0 HA LYS A 61 1.463 7.937 25.735 1.00 50.53 H new ATOM 0 HB2 LYS A 61 -0.364 7.831 27.870 1.00 0.22 H new ATOM 0 HB3 LYS A 61 -1.367 8.146 26.468 1.00 0.22 H new ATOM 0 HG2 LYS A 61 -1.329 5.908 26.171 1.00 4.24 H new ATOM 0 HG3 LYS A 61 0.268 6.166 25.496 1.00 4.24 H new ATOM 0 HD2 LYS A 61 0.554 6.088 28.349 1.00 61.14 H new ATOM 0 HD3 LYS A 61 -0.466 4.738 27.891 1.00 61.14 H new ATOM 0 HE2 LYS A 61 1.332 4.316 26.022 1.00 53.41 H new ATOM 0 HE3 LYS A 61 2.358 5.354 26.993 1.00 53.41 H new ATOM 0 HZ1 LYS A 61 2.666 3.035 27.565 1.00 61.41 H new ATOM 0 HZ2 LYS A 61 2.014 3.877 28.888 1.00 61.41 H new ATOM 0 HZ3 LYS A 61 1.020 2.871 27.948 1.00 61.41 H new ATOM 887 N VAL A 62 0.316 9.062 23.827 1.00 1.13 N ATOM 888 CA VAL A 62 -0.182 9.821 22.686 1.00 22.22 C ATOM 889 C VAL A 62 -0.932 8.919 21.712 1.00 12.52 C ATOM 890 O VAL A 62 -0.691 7.714 21.654 1.00 31.24 O ATOM 891 CB VAL A 62 0.965 10.525 21.937 1.00 11.31 C ATOM 892 CG1 VAL A 62 1.759 11.410 22.886 1.00 15.32 C ATOM 893 CG2 VAL A 62 1.870 9.503 21.266 1.00 32.02 C ATOM 0 H VAL A 62 0.796 8.196 23.581 1.00 1.13 H new ATOM 0 HA VAL A 62 -0.865 10.574 23.080 1.00 22.22 H new ATOM 0 HB VAL A 62 0.534 11.159 21.162 1.00 11.31 H new ATOM 0 HG11 VAL A 62 2.565 11.899 22.339 1.00 15.32 H new ATOM 0 HG12 VAL A 62 1.101 12.166 23.315 1.00 15.32 H new ATOM 0 HG13 VAL A 62 2.181 10.800 23.685 1.00 15.32 H new ATOM 0 HG21 VAL A 62 2.675 10.018 20.742 1.00 32.02 H new ATOM 0 HG22 VAL A 62 2.294 8.841 22.021 1.00 32.02 H new ATOM 0 HG23 VAL A 62 1.290 8.916 20.554 1.00 32.02 H new ATOM 903 N SER A 63 -1.843 9.513 20.947 1.00 32.34 N ATOM 904 CA SER A 63 -2.632 8.763 19.977 1.00 32.10 C ATOM 905 C SER A 63 -2.245 9.144 18.551 1.00 12.14 C ATOM 906 O SER A 63 -3.102 9.274 17.678 1.00 64.32 O ATOM 907 CB SER A 63 -4.125 9.016 20.197 1.00 21.33 C ATOM 908 OG SER A 63 -4.891 7.870 19.866 1.00 44.33 O ATOM 0 H SER A 63 -2.053 10.511 20.980 1.00 32.34 H new ATOM 0 HA SER A 63 -2.426 7.702 20.120 1.00 32.10 H new ATOM 0 HB2 SER A 63 -4.302 9.287 21.238 1.00 21.33 H new ATOM 0 HB3 SER A 63 -4.447 9.861 19.589 1.00 21.33 H new ATOM 0 HG SER A 63 -5.841 8.057 20.017 1.00 44.33 H new ATOM 914 N ASN A 64 -0.948 9.322 18.325 1.00 42.43 N ATOM 915 CA ASN A 64 -0.446 9.690 17.006 1.00 63.54 C ATOM 916 C ASN A 64 -0.863 8.661 15.959 1.00 20.21 C ATOM 917 O ASN A 64 -0.239 7.608 15.825 1.00 14.42 O ATOM 918 CB ASN A 64 1.079 9.815 17.034 1.00 31.01 C ATOM 919 CG ASN A 64 1.735 8.712 17.841 1.00 31.55 C ATOM 920 OD1 ASN A 64 1.180 7.623 17.992 1.00 55.11 O ATOM 921 ND2 ASN A 64 2.923 8.989 18.366 1.00 60.41 N ATOM 0 H ASN A 64 -0.226 9.218 19.037 1.00 42.43 H new ATOM 0 HA ASN A 64 -0.878 10.654 16.736 1.00 63.54 H new ATOM 0 HB2 ASN A 64 1.461 9.791 16.014 1.00 31.01 H new ATOM 0 HB3 ASN A 64 1.354 10.782 17.455 1.00 31.01 H new ATOM 0 HD21 ASN A 64 3.412 8.286 18.920 1.00 60.41 H new ATOM 0 HD22 ASN A 64 3.346 9.905 18.215 1.00 60.41 H new ATOM 928 N ALA A 65 -1.922 8.974 15.219 1.00 23.41 N ATOM 929 CA ALA A 65 -2.421 8.078 14.183 1.00 41.32 C ATOM 930 C ALA A 65 -2.628 8.822 12.868 1.00 42.12 C ATOM 931 O ALA A 65 -1.981 8.521 11.865 1.00 62.11 O ATOM 932 CB ALA A 65 -3.719 7.424 14.631 1.00 33.03 C ATOM 0 H ALA A 65 -2.450 9.841 15.318 1.00 23.41 H new ATOM 0 HA ALA A 65 -1.674 7.301 14.018 1.00 41.32 H new ATOM 0 HB1 ALA A 65 -4.080 6.758 13.848 1.00 33.03 H new ATOM 0 HB2 ALA A 65 -3.543 6.851 15.542 1.00 33.03 H new ATOM 0 HB3 ALA A 65 -4.466 8.194 14.825 1.00 33.03 H new ATOM 938 N SER A 66 -3.534 9.794 12.879 1.00 11.33 N ATOM 939 CA SER A 66 -3.829 10.578 11.686 1.00 54.32 C ATOM 940 C SER A 66 -2.686 11.537 11.369 1.00 10.41 C ATOM 941 O SER A 66 -2.666 12.167 10.312 1.00 5.44 O ATOM 942 CB SER A 66 -5.130 11.362 11.873 1.00 32.42 C ATOM 943 OG SER A 66 -5.897 11.369 10.682 1.00 52.23 O ATOM 0 H SER A 66 -4.077 10.058 13.701 1.00 11.33 H new ATOM 0 HA SER A 66 -3.945 9.889 10.849 1.00 54.32 H new ATOM 0 HB2 SER A 66 -5.712 10.919 12.681 1.00 32.42 H new ATOM 0 HB3 SER A 66 -4.902 12.386 12.168 1.00 32.42 H new ATOM 0 HG SER A 66 -6.724 11.875 10.828 1.00 52.23 H new ATOM 949 N GLU A 67 -1.736 11.642 12.294 1.00 74.04 N ATOM 950 CA GLU A 67 -0.590 12.525 12.114 1.00 61.24 C ATOM 951 C GLU A 67 -1.017 13.989 12.165 1.00 73.12 C ATOM 952 O GLU A 67 -0.238 14.887 11.846 1.00 5.45 O ATOM 953 CB GLU A 67 0.104 12.231 10.782 1.00 40.11 C ATOM 954 CG GLU A 67 1.538 12.730 10.719 1.00 13.45 C ATOM 955 CD GLU A 67 2.446 11.800 9.939 1.00 50.31 C ATOM 956 OE1 GLU A 67 2.746 10.700 10.446 1.00 24.33 O ATOM 957 OE2 GLU A 67 2.856 12.174 8.820 1.00 60.22 O ATOM 0 H GLU A 67 -1.738 11.127 13.174 1.00 74.04 H new ATOM 0 HA GLU A 67 0.110 12.340 12.929 1.00 61.24 H new ATOM 0 HB2 GLU A 67 0.095 11.155 10.607 1.00 40.11 H new ATOM 0 HB3 GLU A 67 -0.467 12.690 9.975 1.00 40.11 H new ATOM 0 HG2 GLU A 67 1.555 13.718 10.259 1.00 13.45 H new ATOM 0 HG3 GLU A 67 1.924 12.843 11.732 1.00 13.45 H new ATOM 964 N THR A 68 -2.263 14.222 12.568 1.00 43.04 N ATOM 965 CA THR A 68 -2.796 15.575 12.659 1.00 5.43 C ATOM 966 C THR A 68 -3.455 15.816 14.012 1.00 2.35 C ATOM 967 O THR A 68 -3.968 16.903 14.280 1.00 30.13 O ATOM 968 CB THR A 68 -3.822 15.852 11.545 1.00 60.35 C ATOM 969 OG1 THR A 68 -5.051 15.174 11.831 1.00 45.12 O ATOM 970 CG2 THR A 68 -3.289 15.398 10.194 1.00 74.32 C ATOM 0 H THR A 68 -2.921 13.491 12.836 1.00 43.04 H new ATOM 0 HA THR A 68 -1.952 16.255 12.542 1.00 5.43 H new ATOM 0 HB THR A 68 -4.001 16.926 11.505 1.00 60.35 H new ATOM 0 HG1 THR A 68 -5.699 15.357 11.119 1.00 45.12 H new ATOM 0 HG21 THR A 68 -4.031 15.604 9.422 1.00 74.32 H new ATOM 0 HG22 THR A 68 -2.369 15.937 9.966 1.00 74.32 H new ATOM 0 HG23 THR A 68 -3.084 14.328 10.225 1.00 74.32 H new ATOM 978 N LYS A 69 -3.437 14.796 14.864 1.00 51.31 N ATOM 979 CA LYS A 69 -4.031 14.897 16.192 1.00 74.15 C ATOM 980 C LYS A 69 -2.964 15.171 17.246 1.00 20.01 C ATOM 981 O LYS A 69 -2.778 16.309 17.674 1.00 43.45 O ATOM 982 CB LYS A 69 -4.784 13.609 16.535 1.00 41.32 C ATOM 983 CG LYS A 69 -6.106 13.463 15.801 1.00 44.12 C ATOM 984 CD LYS A 69 -7.099 12.636 16.600 1.00 63.01 C ATOM 985 CE LYS A 69 -8.529 13.089 16.351 1.00 11.43 C ATOM 986 NZ LYS A 69 -8.793 14.436 16.931 1.00 61.43 N ATOM 0 H LYS A 69 -3.017 13.889 14.658 1.00 51.31 H new ATOM 0 HA LYS A 69 -4.733 15.731 16.187 1.00 74.15 H new ATOM 0 HB2 LYS A 69 -4.151 12.754 16.299 1.00 41.32 H new ATOM 0 HB3 LYS A 69 -4.969 13.581 17.609 1.00 41.32 H new ATOM 0 HG2 LYS A 69 -6.526 14.450 15.607 1.00 44.12 H new ATOM 0 HG3 LYS A 69 -5.936 12.993 14.833 1.00 44.12 H new ATOM 0 HD2 LYS A 69 -6.997 11.584 16.332 1.00 63.01 H new ATOM 0 HD3 LYS A 69 -6.870 12.717 17.663 1.00 63.01 H new ATOM 0 HE2 LYS A 69 -8.721 13.111 15.278 1.00 11.43 H new ATOM 0 HE3 LYS A 69 -9.220 12.365 16.784 1.00 11.43 H new ATOM 0 HZ1 LYS A 69 -9.815 14.556 17.079 1.00 61.43 H new ATOM 0 HZ2 LYS A 69 -8.298 14.525 17.841 1.00 61.43 H new ATOM 0 HZ3 LYS A 69 -8.450 15.169 16.277 1.00 61.43 H new ATOM 1000 N GLY A 70 -2.264 14.119 17.661 1.00 51.22 N ATOM 1001 CA GLY A 70 -1.223 14.268 18.661 1.00 51.42 C ATOM 1002 C GLY A 70 -1.767 14.224 20.075 1.00 40.30 C ATOM 1003 O GLY A 70 -1.006 14.272 21.043 1.00 53.14 O ATOM 0 H GLY A 70 -2.400 13.166 17.322 1.00 51.22 H new ATOM 0 HA2 GLY A 70 -0.485 13.476 18.534 1.00 51.42 H new ATOM 0 HA3 GLY A 70 -0.705 15.214 18.504 1.00 51.42 H new ATOM 1007 N LEU A 71 -3.087 14.135 20.197 1.00 63.41 N ATOM 1008 CA LEU A 71 -3.733 14.086 21.504 1.00 62.11 C ATOM 1009 C LEU A 71 -2.959 13.185 22.461 1.00 44.02 C ATOM 1010 O LEU A 71 -2.287 12.244 22.038 1.00 72.21 O ATOM 1011 CB LEU A 71 -5.171 13.585 21.365 1.00 35.22 C ATOM 1012 CG LEU A 71 -5.368 12.072 21.469 1.00 13.01 C ATOM 1013 CD1 LEU A 71 -5.647 11.668 22.908 1.00 21.53 C ATOM 1014 CD2 LEU A 71 -6.498 11.617 20.557 1.00 14.40 C ATOM 0 H LEU A 71 -3.731 14.095 19.407 1.00 63.41 H new ATOM 0 HA LEU A 71 -3.744 15.096 21.914 1.00 62.11 H new ATOM 0 HB2 LEU A 71 -5.777 14.064 22.134 1.00 35.22 H new ATOM 0 HB3 LEU A 71 -5.558 13.916 20.402 1.00 35.22 H new ATOM 0 HG LEU A 71 -4.449 11.582 21.147 1.00 13.01 H new ATOM 0 HD11 LEU A 71 -5.784 10.588 22.963 1.00 21.53 H new ATOM 0 HD12 LEU A 71 -4.806 11.959 23.537 1.00 21.53 H new ATOM 0 HD13 LEU A 71 -6.551 12.167 23.257 1.00 21.53 H new ATOM 0 HD21 LEU A 71 -6.624 10.538 20.644 1.00 14.40 H new ATOM 0 HD22 LEU A 71 -7.423 12.115 20.848 1.00 14.40 H new ATOM 0 HD23 LEU A 71 -6.258 11.872 19.525 1.00 14.40 H new ATOM 1026 N VAL A 72 -3.058 13.479 23.753 1.00 35.24 N ATOM 1027 CA VAL A 72 -2.370 12.694 24.771 1.00 34.42 C ATOM 1028 C VAL A 72 -3.277 12.429 25.968 1.00 55.33 C ATOM 1029 O VAL A 72 -4.226 13.173 26.219 1.00 51.41 O ATOM 1030 CB VAL A 72 -1.092 13.402 25.257 1.00 64.52 C ATOM 1031 CG1 VAL A 72 -0.154 13.671 24.090 1.00 53.14 C ATOM 1032 CG2 VAL A 72 -1.440 14.693 25.981 1.00 53.24 C ATOM 0 H VAL A 72 -3.608 14.256 24.120 1.00 35.24 H new ATOM 0 HA VAL A 72 -2.098 11.745 24.308 1.00 34.42 H new ATOM 0 HB VAL A 72 -0.579 12.746 25.960 1.00 64.52 H new ATOM 0 HG11 VAL A 72 0.744 14.172 24.453 1.00 53.14 H new ATOM 0 HG12 VAL A 72 0.122 12.727 23.620 1.00 53.14 H new ATOM 0 HG13 VAL A 72 -0.655 14.307 23.360 1.00 53.14 H new ATOM 0 HG21 VAL A 72 -0.525 15.180 26.317 1.00 53.24 H new ATOM 0 HG22 VAL A 72 -1.976 15.357 25.303 1.00 53.24 H new ATOM 0 HG23 VAL A 72 -2.069 14.469 26.842 1.00 53.24 H new ATOM 1042 N THR A 73 -2.980 11.364 26.705 1.00 22.03 N ATOM 1043 CA THR A 73 -3.768 11.000 27.876 1.00 53.23 C ATOM 1044 C THR A 73 -2.871 10.703 29.072 1.00 75.30 C ATOM 1045 O THR A 73 -1.732 10.268 28.913 1.00 44.12 O ATOM 1046 CB THR A 73 -4.656 9.773 27.596 1.00 63.40 C ATOM 1047 OG1 THR A 73 -4.971 9.704 26.201 1.00 63.42 O ATOM 1048 CG2 THR A 73 -5.940 9.837 28.408 1.00 31.05 C ATOM 0 H THR A 73 -2.199 10.738 26.512 1.00 22.03 H new ATOM 0 HA THR A 73 -4.404 11.854 28.107 1.00 53.23 H new ATOM 0 HB THR A 73 -4.104 8.879 27.888 1.00 63.40 H new ATOM 0 HG1 THR A 73 -5.534 8.920 26.031 1.00 63.42 H new ATOM 0 HG21 THR A 73 -6.550 8.960 28.193 1.00 31.05 H new ATOM 0 HG22 THR A 73 -5.698 9.859 29.471 1.00 31.05 H new ATOM 0 HG23 THR A 73 -6.493 10.738 28.143 1.00 31.05 H new ATOM 1056 N GLY A 74 -3.394 10.939 30.271 1.00 14.34 N ATOM 1057 CA GLY A 74 -2.627 10.690 31.478 1.00 41.14 C ATOM 1058 C GLY A 74 -3.221 9.582 32.324 1.00 21.12 C ATOM 1059 O GLY A 74 -4.428 9.340 32.284 1.00 3.53 O ATOM 0 H GLY A 74 -4.336 11.298 30.428 1.00 14.34 H new ATOM 0 HA2 GLY A 74 -1.604 10.428 31.207 1.00 41.14 H new ATOM 0 HA3 GLY A 74 -2.576 11.605 32.068 1.00 41.14 H new ATOM 1063 N ILE A 75 -2.372 8.906 33.091 1.00 71.43 N ATOM 1064 CA ILE A 75 -2.821 7.817 33.950 1.00 65.43 C ATOM 1065 C ILE A 75 -2.890 8.259 35.407 1.00 11.23 C ATOM 1066 O ILE A 75 -3.862 7.977 36.107 1.00 75.34 O ATOM 1067 CB ILE A 75 -1.891 6.594 33.840 1.00 62.30 C ATOM 1068 CG1 ILE A 75 -1.886 6.056 32.408 1.00 74.15 C ATOM 1069 CG2 ILE A 75 -2.323 5.510 34.817 1.00 51.51 C ATOM 1070 CD1 ILE A 75 -3.240 5.570 31.940 1.00 35.45 C ATOM 0 H ILE A 75 -1.370 9.093 33.135 1.00 71.43 H new ATOM 0 HA ILE A 75 -3.818 7.537 33.610 1.00 65.43 H new ATOM 0 HB ILE A 75 -0.877 6.903 34.095 1.00 62.30 H new ATOM 0 HG12 ILE A 75 -1.538 6.840 31.735 1.00 74.15 H new ATOM 0 HG13 ILE A 75 -1.171 5.236 32.339 1.00 74.15 H new ATOM 0 HG21 ILE A 75 -1.656 4.652 34.727 1.00 51.51 H new ATOM 0 HG22 ILE A 75 -2.279 5.899 35.834 1.00 51.51 H new ATOM 0 HG23 ILE A 75 -3.343 5.201 34.590 1.00 51.51 H new ATOM 0 HD11 ILE A 75 -3.161 5.203 30.917 1.00 35.45 H new ATOM 0 HD12 ILE A 75 -3.582 4.764 32.589 1.00 35.45 H new ATOM 0 HD13 ILE A 75 -3.954 6.393 31.976 1.00 35.45 H new ATOM 1082 N ALA A 76 -1.852 8.956 35.858 1.00 15.34 N ATOM 1083 CA ALA A 76 -1.797 9.442 37.232 1.00 73.33 C ATOM 1084 C ALA A 76 -1.880 10.964 37.280 1.00 61.32 C ATOM 1085 O ALA A 76 -1.909 11.626 36.243 1.00 55.22 O ATOM 1086 CB ALA A 76 -0.525 8.959 37.912 1.00 62.44 C ATOM 0 H ALA A 76 -1.038 9.197 35.292 1.00 15.34 H new ATOM 0 HA ALA A 76 -2.657 9.041 37.768 1.00 73.33 H new ATOM 0 HB1 ALA A 76 -0.497 9.329 38.937 1.00 62.44 H new ATOM 0 HB2 ALA A 76 -0.508 7.869 37.919 1.00 62.44 H new ATOM 0 HB3 ALA A 76 0.343 9.332 37.368 1.00 62.44 H new ATOM 1092 N SER A 77 -1.918 11.512 38.490 1.00 24.21 N ATOM 1093 CA SER A 77 -2.001 12.956 38.673 1.00 55.01 C ATOM 1094 C SER A 77 -0.626 13.602 38.535 1.00 31.23 C ATOM 1095 O SER A 77 0.397 12.919 38.551 1.00 41.01 O ATOM 1096 CB SER A 77 -2.597 13.284 40.044 1.00 43.25 C ATOM 1097 OG SER A 77 -1.603 13.247 41.053 1.00 31.22 O ATOM 0 H SER A 77 -1.893 10.978 39.358 1.00 24.21 H new ATOM 0 HA SER A 77 -2.651 13.359 37.896 1.00 55.01 H new ATOM 0 HB2 SER A 77 -3.056 14.272 40.018 1.00 43.25 H new ATOM 0 HB3 SER A 77 -3.387 12.571 40.281 1.00 43.25 H new ATOM 0 HG SER A 77 -2.008 13.461 41.919 1.00 31.22 H new ATOM 1103 N GLY A 78 -0.611 14.925 38.400 1.00 20.43 N ATOM 1104 CA GLY A 78 0.643 15.642 38.262 1.00 70.24 C ATOM 1105 C GLY A 78 0.660 16.551 37.049 1.00 14.41 C ATOM 1106 O GLY A 78 -0.273 16.545 36.247 1.00 35.04 O ATOM 0 H GLY A 78 -1.445 15.512 38.384 1.00 20.43 H new ATOM 0 HA2 GLY A 78 0.820 16.235 39.159 1.00 70.24 H new ATOM 0 HA3 GLY A 78 1.461 14.926 38.187 1.00 70.24 H new ATOM 1110 N ASN A 79 1.723 17.337 36.916 1.00 51.55 N ATOM 1111 CA ASN A 79 1.856 18.259 35.793 1.00 60.10 C ATOM 1112 C ASN A 79 3.070 17.905 34.940 1.00 45.21 C ATOM 1113 O ASN A 79 4.059 18.638 34.888 1.00 34.14 O ATOM 1114 CB ASN A 79 1.976 19.698 36.299 1.00 73.12 C ATOM 1115 CG ASN A 79 2.822 19.801 37.553 1.00 44.43 C ATOM 1116 OD1 ASN A 79 4.029 19.556 37.523 1.00 55.33 O ATOM 1117 ND2 ASN A 79 2.192 20.166 38.663 1.00 24.14 N ATOM 0 H ASN A 79 2.505 17.354 37.571 1.00 51.55 H new ATOM 0 HA ASN A 79 0.962 18.172 35.175 1.00 60.10 H new ATOM 0 HB2 ASN A 79 2.412 20.320 35.517 1.00 73.12 H new ATOM 0 HB3 ASN A 79 0.981 20.093 36.502 1.00 73.12 H new ATOM 0 HD21 ASN A 79 2.709 20.253 39.538 1.00 24.14 H new ATOM 0 HD22 ASN A 79 1.191 20.359 38.641 1.00 24.14 H new ATOM 1124 N PRO A 80 2.997 16.755 34.253 1.00 13.34 N ATOM 1125 CA PRO A 80 4.080 16.278 33.389 1.00 43.50 C ATOM 1126 C PRO A 80 4.239 17.131 32.135 1.00 61.03 C ATOM 1127 O PRO A 80 3.334 17.206 31.303 1.00 12.22 O ATOM 1128 CB PRO A 80 3.641 14.860 33.019 1.00 32.31 C ATOM 1129 CG PRO A 80 2.157 14.877 33.148 1.00 53.23 C ATOM 1130 CD PRO A 80 1.849 15.832 34.268 1.00 44.43 C ATOM 0 HA PRO A 80 5.048 16.322 33.887 1.00 43.50 H new ATOM 0 HB2 PRO A 80 3.947 14.603 32.005 1.00 32.31 H new ATOM 0 HB3 PRO A 80 4.088 14.121 33.684 1.00 32.31 H new ATOM 0 HG2 PRO A 80 1.688 15.201 32.219 1.00 53.23 H new ATOM 0 HG3 PRO A 80 1.773 13.881 33.368 1.00 53.23 H new ATOM 0 HD2 PRO A 80 0.909 16.357 34.101 1.00 44.43 H new ATOM 0 HD3 PRO A 80 1.761 15.316 35.224 1.00 44.43 H new ATOM 1138 N THR A 81 5.396 17.773 32.003 1.00 21.42 N ATOM 1139 CA THR A 81 5.673 18.620 30.851 1.00 42.34 C ATOM 1140 C THR A 81 5.985 17.784 29.615 1.00 70.20 C ATOM 1141 O THR A 81 6.880 16.938 29.636 1.00 0.41 O ATOM 1142 CB THR A 81 6.854 19.572 31.124 1.00 74.43 C ATOM 1143 OG1 THR A 81 6.742 20.126 32.439 1.00 31.33 O ATOM 1144 CG2 THR A 81 6.893 20.693 30.097 1.00 3.41 C ATOM 0 H THR A 81 6.156 17.722 32.681 1.00 21.42 H new ATOM 0 HA THR A 81 4.774 19.210 30.670 1.00 42.34 H new ATOM 0 HB THR A 81 7.779 19.000 31.049 1.00 74.43 H new ATOM 0 HG1 THR A 81 7.497 20.728 32.606 1.00 31.33 H new ATOM 0 HG21 THR A 81 7.735 21.352 30.310 1.00 3.41 H new ATOM 0 HG22 THR A 81 7.008 20.269 29.099 1.00 3.41 H new ATOM 0 HG23 THR A 81 5.965 21.263 30.145 1.00 3.41 H new ATOM 1152 N ILE A 82 5.242 18.025 28.540 1.00 1.11 N ATOM 1153 CA ILE A 82 5.441 17.294 27.295 1.00 44.43 C ATOM 1154 C ILE A 82 6.404 18.034 26.371 1.00 32.14 C ATOM 1155 O ILE A 82 6.217 19.216 26.082 1.00 10.10 O ATOM 1156 CB ILE A 82 4.110 17.069 26.555 1.00 34.30 C ATOM 1157 CG1 ILE A 82 3.055 16.515 27.516 1.00 41.04 C ATOM 1158 CG2 ILE A 82 4.310 16.125 25.379 1.00 62.12 C ATOM 1159 CD1 ILE A 82 1.706 16.291 26.868 1.00 24.13 C ATOM 0 H ILE A 82 4.497 18.721 28.506 1.00 1.11 H new ATOM 0 HA ILE A 82 5.867 16.327 27.562 1.00 44.43 H new ATOM 0 HB ILE A 82 3.759 18.027 26.171 1.00 34.30 H new ATOM 0 HG12 ILE A 82 3.412 15.572 27.930 1.00 41.04 H new ATOM 0 HG13 ILE A 82 2.938 17.205 28.351 1.00 41.04 H new ATOM 0 HG21 ILE A 82 3.360 15.976 24.866 1.00 62.12 H new ATOM 0 HG22 ILE A 82 5.033 16.555 24.686 1.00 62.12 H new ATOM 0 HG23 ILE A 82 4.681 15.166 25.741 1.00 62.12 H new ATOM 0 HD11 ILE A 82 1.008 15.898 27.607 1.00 24.13 H new ATOM 0 HD12 ILE A 82 1.328 17.236 26.479 1.00 24.13 H new ATOM 0 HD13 ILE A 82 1.809 15.577 26.051 1.00 24.13 H new ATOM 1171 N ILE A 83 7.432 17.330 25.911 1.00 21.50 N ATOM 1172 CA ILE A 83 8.422 17.918 25.018 1.00 40.51 C ATOM 1173 C ILE A 83 8.368 17.275 23.637 1.00 63.44 C ATOM 1174 O ILE A 83 8.378 16.051 23.510 1.00 30.44 O ATOM 1175 CB ILE A 83 9.847 17.775 25.584 1.00 61.41 C ATOM 1176 CG1 ILE A 83 9.904 18.297 27.021 1.00 73.11 C ATOM 1177 CG2 ILE A 83 10.843 18.516 24.705 1.00 3.53 C ATOM 1178 CD1 ILE A 83 9.511 19.752 27.151 1.00 63.10 C ATOM 0 H ILE A 83 7.601 16.351 26.142 1.00 21.50 H new ATOM 0 HA ILE A 83 8.179 18.977 24.932 1.00 40.51 H new ATOM 0 HB ILE A 83 10.115 16.718 25.591 1.00 61.41 H new ATOM 0 HG12 ILE A 83 9.244 17.694 27.645 1.00 73.11 H new ATOM 0 HG13 ILE A 83 10.915 18.166 27.407 1.00 73.11 H new ATOM 0 HG21 ILE A 83 11.846 18.406 25.118 1.00 3.53 H new ATOM 0 HG22 ILE A 83 10.818 18.101 23.697 1.00 3.53 H new ATOM 0 HG23 ILE A 83 10.580 19.573 24.669 1.00 3.53 H new ATOM 0 HD11 ILE A 83 9.574 20.054 28.196 1.00 63.10 H new ATOM 0 HD12 ILE A 83 10.186 20.366 26.554 1.00 63.10 H new ATOM 0 HD13 ILE A 83 8.489 19.886 26.796 1.00 63.10 H new ATOM 1190 N ALA A 84 8.313 18.108 22.603 1.00 43.20 N ATOM 1191 CA ALA A 84 8.262 17.621 21.230 1.00 22.33 C ATOM 1192 C ALA A 84 9.557 17.933 20.488 1.00 2.02 C ATOM 1193 O ALA A 84 10.088 19.040 20.583 1.00 44.12 O ATOM 1194 CB ALA A 84 7.073 18.226 20.499 1.00 3.30 C ATOM 0 H ALA A 84 8.303 19.124 22.690 1.00 43.20 H new ATOM 0 HA ALA A 84 8.143 16.538 21.259 1.00 22.33 H new ATOM 0 HB1 ALA A 84 7.048 17.853 19.475 1.00 3.30 H new ATOM 0 HB2 ALA A 84 6.151 17.947 21.010 1.00 3.30 H new ATOM 0 HB3 ALA A 84 7.167 19.312 20.488 1.00 3.30 H new ATOM 1200 N THR A 85 10.063 16.950 19.749 1.00 15.03 N ATOM 1201 CA THR A 85 11.296 17.119 18.993 1.00 44.45 C ATOM 1202 C THR A 85 11.089 16.783 17.520 1.00 22.43 C ATOM 1203 O THR A 85 10.697 15.667 17.178 1.00 35.11 O ATOM 1204 CB THR A 85 12.426 16.237 19.555 1.00 23.43 C ATOM 1205 OG1 THR A 85 11.902 15.340 20.541 1.00 65.30 O ATOM 1206 CG2 THR A 85 13.524 17.090 20.172 1.00 42.54 C ATOM 0 H THR A 85 9.636 16.028 19.659 1.00 15.03 H new ATOM 0 HA THR A 85 11.582 18.166 19.087 1.00 44.45 H new ATOM 0 HB THR A 85 12.853 15.664 18.732 1.00 23.43 H new ATOM 0 HG1 THR A 85 12.626 14.781 20.893 1.00 65.30 H new ATOM 0 HG21 THR A 85 14.311 16.444 20.562 1.00 42.54 H new ATOM 0 HG22 THR A 85 13.941 17.752 19.413 1.00 42.54 H new ATOM 0 HG23 THR A 85 13.108 17.686 20.984 1.00 42.54 H new ATOM 1214 N TYR A 86 11.356 17.753 16.653 1.00 32.22 N ATOM 1215 CA TYR A 86 11.197 17.559 15.217 1.00 53.12 C ATOM 1216 C TYR A 86 12.122 18.487 14.436 1.00 5.01 C ATOM 1217 O TYR A 86 11.913 19.699 14.393 1.00 64.43 O ATOM 1218 CB TYR A 86 9.744 17.806 14.806 1.00 62.54 C ATOM 1219 CG TYR A 86 9.389 17.220 13.458 1.00 73.42 C ATOM 1220 CD1 TYR A 86 9.790 15.936 13.109 1.00 65.02 C ATOM 1221 CD2 TYR A 86 8.652 17.949 12.533 1.00 1.42 C ATOM 1222 CE1 TYR A 86 9.469 15.397 11.878 1.00 33.44 C ATOM 1223 CE2 TYR A 86 8.324 17.418 11.301 1.00 25.41 C ATOM 1224 CZ TYR A 86 8.735 16.141 10.978 1.00 2.03 C ATOM 1225 OH TYR A 86 8.412 15.608 9.751 1.00 1.24 O ATOM 0 H TYR A 86 11.684 18.681 16.920 1.00 32.22 H new ATOM 0 HA TYR A 86 11.464 16.528 14.984 1.00 53.12 H new ATOM 0 HB2 TYR A 86 9.084 17.382 15.563 1.00 62.54 H new ATOM 0 HB3 TYR A 86 9.558 18.880 14.787 1.00 62.54 H new ATOM 0 HD1 TYR A 86 10.362 15.349 13.812 1.00 65.02 H new ATOM 0 HD2 TYR A 86 8.330 18.949 12.782 1.00 1.42 H new ATOM 0 HE1 TYR A 86 9.791 14.398 11.622 1.00 33.44 H new ATOM 0 HE2 TYR A 86 7.749 17.999 10.595 1.00 25.41 H new ATOM 0 HH TYR A 86 7.892 16.261 9.237 1.00 1.24 H new ATOM 1235 N GLY A 87 13.148 17.907 13.819 1.00 11.41 N ATOM 1236 CA GLY A 87 14.091 18.695 13.047 1.00 10.54 C ATOM 1237 C GLY A 87 14.911 19.630 13.914 1.00 4.11 C ATOM 1238 O GLY A 87 15.595 19.190 14.839 1.00 40.45 O ATOM 0 H GLY A 87 13.342 16.906 13.840 1.00 11.41 H new ATOM 0 HA2 GLY A 87 14.760 18.027 12.505 1.00 10.54 H new ATOM 0 HA3 GLY A 87 13.549 19.277 12.302 1.00 10.54 H new ATOM 1242 N SER A 88 14.845 20.923 13.614 1.00 2.45 N ATOM 1243 CA SER A 88 15.592 21.922 14.370 1.00 42.31 C ATOM 1244 C SER A 88 14.662 22.730 15.270 1.00 42.33 C ATOM 1245 O SER A 88 15.076 23.711 15.889 1.00 74.13 O ATOM 1246 CB SER A 88 16.340 22.858 13.418 1.00 13.21 C ATOM 1247 OG SER A 88 17.696 23.001 13.804 1.00 13.42 O ATOM 0 H SER A 88 14.282 21.304 12.853 1.00 2.45 H new ATOM 0 HA SER A 88 16.314 21.401 14.998 1.00 42.31 H new ATOM 0 HB2 SER A 88 16.287 22.467 12.402 1.00 13.21 H new ATOM 0 HB3 SER A 88 15.856 23.835 13.409 1.00 13.21 H new ATOM 0 HG SER A 88 18.152 23.602 13.179 1.00 13.42 H new ATOM 1253 N VAL A 89 13.402 22.311 15.337 1.00 5.10 N ATOM 1254 CA VAL A 89 12.413 22.994 16.161 1.00 35.03 C ATOM 1255 C VAL A 89 11.746 22.027 17.134 1.00 50.24 C ATOM 1256 O VAL A 89 11.499 20.868 16.801 1.00 13.20 O ATOM 1257 CB VAL A 89 11.328 23.664 15.297 1.00 43.33 C ATOM 1258 CG1 VAL A 89 10.288 24.341 16.175 1.00 14.53 C ATOM 1259 CG2 VAL A 89 11.956 24.661 14.334 1.00 11.44 C ATOM 0 H VAL A 89 13.043 21.502 14.830 1.00 5.10 H new ATOM 0 HA VAL A 89 12.945 23.762 16.723 1.00 35.03 H new ATOM 0 HB VAL A 89 10.827 22.893 14.711 1.00 43.33 H new ATOM 0 HG11 VAL A 89 9.530 24.809 15.547 1.00 14.53 H new ATOM 0 HG12 VAL A 89 9.817 23.599 16.820 1.00 14.53 H new ATOM 0 HG13 VAL A 89 10.770 25.102 16.789 1.00 14.53 H new ATOM 0 HG21 VAL A 89 11.176 25.125 13.731 1.00 11.44 H new ATOM 0 HG22 VAL A 89 12.484 25.429 14.899 1.00 11.44 H new ATOM 0 HG23 VAL A 89 12.659 24.143 13.681 1.00 11.44 H new ATOM 1269 N SER A 90 11.457 22.512 18.337 1.00 51.20 N ATOM 1270 CA SER A 90 10.821 21.690 19.360 1.00 44.10 C ATOM 1271 C SER A 90 9.586 22.384 19.925 1.00 53.34 C ATOM 1272 O SER A 90 9.473 23.608 19.880 1.00 12.51 O ATOM 1273 CB SER A 90 11.810 21.387 20.488 1.00 40.14 C ATOM 1274 OG SER A 90 12.477 22.564 20.911 1.00 63.54 O ATOM 0 H SER A 90 11.653 23.470 18.627 1.00 51.20 H new ATOM 0 HA SER A 90 10.510 20.754 18.897 1.00 44.10 H new ATOM 0 HB2 SER A 90 11.280 20.942 21.331 1.00 40.14 H new ATOM 0 HB3 SER A 90 12.541 20.653 20.148 1.00 40.14 H new ATOM 0 HG SER A 90 13.102 22.344 21.633 1.00 63.54 H new ATOM 1280 N GLY A 91 8.660 21.591 20.456 1.00 10.40 N ATOM 1281 CA GLY A 91 7.444 22.146 21.022 1.00 42.12 C ATOM 1282 C GLY A 91 7.271 21.791 22.485 1.00 22.03 C ATOM 1283 O GLY A 91 8.085 21.065 23.055 1.00 11.40 O ATOM 0 H GLY A 91 8.730 20.575 20.504 1.00 10.40 H new ATOM 0 HA2 GLY A 91 7.459 23.231 20.914 1.00 42.12 H new ATOM 0 HA3 GLY A 91 6.585 21.781 20.459 1.00 42.12 H new ATOM 1287 N ASN A 92 6.208 22.305 23.096 1.00 44.23 N ATOM 1288 CA ASN A 92 5.933 22.040 24.503 1.00 35.20 C ATOM 1289 C ASN A 92 4.430 21.992 24.763 1.00 30.51 C ATOM 1290 O ASN A 92 3.657 22.723 24.144 1.00 50.24 O ATOM 1291 CB ASN A 92 6.579 23.112 25.382 1.00 4.11 C ATOM 1292 CG ASN A 92 5.955 24.479 25.180 1.00 12.23 C ATOM 1293 OD1 ASN A 92 4.849 24.744 25.652 1.00 50.41 O ATOM 1294 ND2 ASN A 92 6.663 25.355 24.476 1.00 33.22 N ATOM 0 H ASN A 92 5.523 22.907 22.639 1.00 44.23 H new ATOM 0 HA ASN A 92 6.360 21.069 24.754 1.00 35.20 H new ATOM 0 HB2 ASN A 92 6.485 22.824 26.429 1.00 4.11 H new ATOM 0 HB3 ASN A 92 7.645 23.166 25.160 1.00 4.11 H new ATOM 0 HD21 ASN A 92 6.294 26.291 24.308 1.00 33.22 H new ATOM 0 HD22 ASN A 92 7.575 25.092 24.104 1.00 33.22 H new ATOM 1301 N THR A 93 4.022 21.125 25.685 1.00 71.42 N ATOM 1302 CA THR A 93 2.613 20.980 26.027 1.00 33.22 C ATOM 1303 C THR A 93 2.420 20.890 27.537 1.00 61.44 C ATOM 1304 O THR A 93 3.095 20.112 28.212 1.00 10.34 O ATOM 1305 CB THR A 93 2.000 19.730 25.367 1.00 12.22 C ATOM 1306 OG1 THR A 93 2.905 19.196 24.394 1.00 13.24 O ATOM 1307 CG2 THR A 93 0.673 20.065 24.703 1.00 72.20 C ATOM 0 H THR A 93 4.648 20.513 26.208 1.00 71.42 H new ATOM 0 HA THR A 93 2.104 21.867 25.651 1.00 33.22 H new ATOM 0 HB THR A 93 1.822 18.986 26.144 1.00 12.22 H new ATOM 0 HG1 THR A 93 2.509 18.401 23.980 1.00 13.24 H new ATOM 0 HG21 THR A 93 0.259 19.167 24.244 1.00 72.20 H new ATOM 0 HG22 THR A 93 -0.023 20.444 25.451 1.00 72.20 H new ATOM 0 HG23 THR A 93 0.831 20.824 23.937 1.00 72.20 H new ATOM 1315 N ILE A 94 1.495 21.688 28.059 1.00 5.01 N ATOM 1316 CA ILE A 94 1.213 21.696 29.489 1.00 5.12 C ATOM 1317 C ILE A 94 -0.117 21.014 29.791 1.00 3.30 C ATOM 1318 O ILE A 94 -1.166 21.429 29.297 1.00 41.23 O ATOM 1319 CB ILE A 94 1.181 23.131 30.048 1.00 32.35 C ATOM 1320 CG1 ILE A 94 0.620 23.134 31.472 1.00 22.31 C ATOM 1321 CG2 ILE A 94 0.353 24.032 29.145 1.00 12.54 C ATOM 1322 CD1 ILE A 94 0.683 24.488 32.144 1.00 64.34 C ATOM 0 H ILE A 94 0.928 22.337 27.513 1.00 5.01 H new ATOM 0 HA ILE A 94 2.019 21.144 29.973 1.00 5.12 H new ATOM 0 HB ILE A 94 2.200 23.517 30.078 1.00 32.35 H new ATOM 0 HG12 ILE A 94 -0.417 22.798 31.446 1.00 22.31 H new ATOM 0 HG13 ILE A 94 1.174 22.413 32.073 1.00 22.31 H new ATOM 0 HG21 ILE A 94 0.340 25.043 29.553 1.00 12.54 H new ATOM 0 HG22 ILE A 94 0.792 24.049 28.147 1.00 12.54 H new ATOM 0 HG23 ILE A 94 -0.666 23.651 29.087 1.00 12.54 H new ATOM 0 HD11 ILE A 94 0.269 24.415 33.149 1.00 64.34 H new ATOM 0 HD12 ILE A 94 1.720 24.817 32.202 1.00 64.34 H new ATOM 0 HD13 ILE A 94 0.105 25.209 31.565 1.00 64.34 H new ATOM 1334 N LEU A 95 -0.067 19.967 30.607 1.00 44.11 N ATOM 1335 CA LEU A 95 -1.268 19.228 30.977 1.00 33.34 C ATOM 1336 C LEU A 95 -1.323 18.997 32.484 1.00 24.31 C ATOM 1337 O LEU A 95 -0.378 18.477 33.079 1.00 65.15 O ATOM 1338 CB LEU A 95 -1.313 17.887 30.242 1.00 21.14 C ATOM 1339 CG LEU A 95 -2.612 17.571 29.500 1.00 42.52 C ATOM 1340 CD1 LEU A 95 -3.794 17.603 30.455 1.00 14.45 C ATOM 1341 CD2 LEU A 95 -2.823 18.551 28.354 1.00 23.14 C ATOM 0 H LEU A 95 0.793 19.611 31.025 1.00 44.11 H new ATOM 0 HA LEU A 95 -2.134 19.823 30.687 1.00 33.34 H new ATOM 0 HB2 LEU A 95 -0.493 17.861 29.525 1.00 21.14 H new ATOM 0 HB3 LEU A 95 -1.129 17.093 30.965 1.00 21.14 H new ATOM 0 HG LEU A 95 -2.535 16.566 29.084 1.00 42.52 H new ATOM 0 HD11 LEU A 95 -4.709 17.376 29.909 1.00 14.45 H new ATOM 0 HD12 LEU A 95 -3.647 16.862 31.241 1.00 14.45 H new ATOM 0 HD13 LEU A 95 -3.874 18.594 30.901 1.00 14.45 H new ATOM 0 HD21 LEU A 95 -3.752 18.311 27.837 1.00 23.14 H new ATOM 0 HD22 LEU A 95 -2.879 19.566 28.748 1.00 23.14 H new ATOM 0 HD23 LEU A 95 -1.990 18.479 27.655 1.00 23.14 H new ATOM 1353 N THR A 96 -2.437 19.385 33.097 1.00 24.55 N ATOM 1354 CA THR A 96 -2.615 19.219 34.534 1.00 33.04 C ATOM 1355 C THR A 96 -3.694 18.186 34.839 1.00 60.11 C ATOM 1356 O THR A 96 -4.879 18.422 34.601 1.00 64.32 O ATOM 1357 CB THR A 96 -2.990 20.551 35.211 1.00 75.10 C ATOM 1358 OG1 THR A 96 -2.339 21.639 34.546 1.00 24.21 O ATOM 1359 CG2 THR A 96 -2.599 20.540 36.681 1.00 43.41 C ATOM 0 H THR A 96 -3.229 19.816 32.621 1.00 24.55 H new ATOM 0 HA THR A 96 -1.661 18.873 34.933 1.00 33.04 H new ATOM 0 HB THR A 96 -4.070 20.678 35.140 1.00 75.10 H new ATOM 0 HG1 THR A 96 -2.453 22.458 35.071 1.00 24.21 H new ATOM 0 HG21 THR A 96 -2.874 21.491 37.138 1.00 43.41 H new ATOM 0 HG22 THR A 96 -3.120 19.729 37.190 1.00 43.41 H new ATOM 0 HG23 THR A 96 -1.523 20.392 36.770 1.00 43.41 H new ATOM 1367 N VAL A 97 -3.277 17.040 35.368 1.00 61.24 N ATOM 1368 CA VAL A 97 -4.208 15.971 35.707 1.00 74.53 C ATOM 1369 C VAL A 97 -4.251 15.736 37.212 1.00 22.35 C ATOM 1370 O VAL A 97 -3.215 15.565 37.854 1.00 41.04 O ATOM 1371 CB VAL A 97 -3.831 14.653 35.003 1.00 10.32 C ATOM 1372 CG1 VAL A 97 -4.180 14.719 33.524 1.00 21.21 C ATOM 1373 CG2 VAL A 97 -2.353 14.350 35.198 1.00 50.31 C ATOM 0 H VAL A 97 -2.300 16.828 35.571 1.00 61.24 H new ATOM 0 HA VAL A 97 -5.192 16.289 35.364 1.00 74.53 H new ATOM 0 HB VAL A 97 -4.407 13.843 35.451 1.00 10.32 H new ATOM 0 HG11 VAL A 97 -3.907 13.780 33.043 1.00 21.21 H new ATOM 0 HG12 VAL A 97 -5.251 14.887 33.410 1.00 21.21 H new ATOM 0 HG13 VAL A 97 -3.633 15.538 33.057 1.00 21.21 H new ATOM 0 HG21 VAL A 97 -2.104 13.416 34.695 1.00 50.31 H new ATOM 0 HG22 VAL A 97 -1.757 15.160 34.777 1.00 50.31 H new ATOM 0 HG23 VAL A 97 -2.138 14.257 36.263 1.00 50.31 H new ATOM 1383 N ASN A 98 -5.457 15.728 37.771 1.00 61.12 N ATOM 1384 CA ASN A 98 -5.635 15.514 39.202 1.00 20.24 C ATOM 1385 C ASN A 98 -6.357 14.197 39.470 1.00 63.52 C ATOM 1386 O ASN A 98 -7.491 14.183 39.949 1.00 62.11 O ATOM 1387 CB ASN A 98 -6.421 16.673 39.819 1.00 62.03 C ATOM 1388 CG ASN A 98 -5.939 18.024 39.327 1.00 5.24 C ATOM 1389 OD1 ASN A 98 -5.096 18.662 39.959 1.00 51.31 O ATOM 1390 ND2 ASN A 98 -6.472 18.467 38.195 1.00 75.21 N ATOM 0 H ASN A 98 -6.325 15.867 37.254 1.00 61.12 H new ATOM 0 HA ASN A 98 -4.648 15.467 39.662 1.00 20.24 H new ATOM 0 HB2 ASN A 98 -7.479 16.559 39.581 1.00 62.03 H new ATOM 0 HB3 ASN A 98 -6.332 16.632 40.905 1.00 62.03 H new ATOM 0 HD21 ASN A 98 -6.186 19.370 37.816 1.00 75.21 H new ATOM 0 HD22 ASN A 98 -7.168 17.905 37.704 1.00 75.21 H new ATOM 1397 N LYS A 99 -5.691 13.090 39.157 1.00 32.35 N ATOM 1398 CA LYS A 99 -6.267 11.766 39.365 1.00 5.10 C ATOM 1399 C LYS A 99 -6.453 11.481 40.852 1.00 53.12 C ATOM 1400 O LYS A 99 -5.491 11.200 41.567 1.00 62.01 O ATOM 1401 CB LYS A 99 -5.372 10.694 38.738 1.00 41.51 C ATOM 1402 CG LYS A 99 -6.100 9.792 37.757 1.00 32.11 C ATOM 1403 CD LYS A 99 -6.719 8.593 38.456 1.00 14.34 C ATOM 1404 CE LYS A 99 -6.954 7.443 37.489 1.00 51.42 C ATOM 1405 NZ LYS A 99 -5.904 6.395 37.609 1.00 62.44 N ATOM 0 H LYS A 99 -4.752 13.083 38.758 1.00 32.35 H new ATOM 0 HA LYS A 99 -7.244 11.743 38.883 1.00 5.10 H new ATOM 0 HB2 LYS A 99 -4.542 11.180 38.225 1.00 41.51 H new ATOM 0 HB3 LYS A 99 -4.942 10.082 39.531 1.00 41.51 H new ATOM 0 HG2 LYS A 99 -6.879 10.360 37.248 1.00 32.11 H new ATOM 0 HG3 LYS A 99 -5.404 9.449 36.991 1.00 32.11 H new ATOM 0 HD2 LYS A 99 -6.064 8.263 39.263 1.00 14.34 H new ATOM 0 HD3 LYS A 99 -7.665 8.885 38.912 1.00 14.34 H new ATOM 0 HE2 LYS A 99 -7.932 7.001 37.681 1.00 51.42 H new ATOM 0 HE3 LYS A 99 -6.971 7.825 36.468 1.00 51.42 H new ATOM 0 HZ1 LYS A 99 -6.231 5.522 37.148 1.00 62.44 H new ATOM 0 HZ2 LYS A 99 -5.031 6.724 37.149 1.00 62.44 H new ATOM 0 HZ3 LYS A 99 -5.715 6.206 38.614 1.00 62.44 H new ATOM 1419 N THR A 100 -7.698 11.554 41.312 1.00 34.11 N ATOM 1420 CA THR A 100 -8.011 11.303 42.713 1.00 12.43 C ATOM 1421 C THR A 100 -7.421 9.978 43.180 1.00 61.30 C ATOM 1422 O THR A 100 -6.929 9.867 44.303 1.00 11.52 O ATOM 1423 CB THR A 100 -9.532 11.289 42.955 1.00 34.44 C ATOM 1424 OG1 THR A 100 -10.141 10.248 42.183 1.00 32.43 O ATOM 1425 CG2 THR A 100 -10.152 12.628 42.587 1.00 0.35 C ATOM 0 H THR A 100 -8.506 11.785 40.734 1.00 34.11 H new ATOM 0 HA THR A 100 -7.567 12.117 43.286 1.00 12.43 H new ATOM 0 HB THR A 100 -9.707 11.105 44.015 1.00 34.44 H new ATOM 0 HG1 THR A 100 -11.108 10.244 42.344 1.00 32.43 H new ATOM 0 HG21 THR A 100 -11.227 12.593 42.767 1.00 0.35 H new ATOM 0 HG22 THR A 100 -9.708 13.415 43.197 1.00 0.35 H new ATOM 0 HG23 THR A 100 -9.967 12.837 41.533 1.00 0.35 H new