USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=37 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 23 ASN : amide:sc= -6.57! C(o=-7.3!,f=-7.1!) USER MOD Set 1.2: A 96 THR OG1 : rot -140:sc= -0.683 USER MOD Set 2.1: A 49 SER OG : rot -98:sc= 1.32 USER MOD Set 2.2: A 86 TYR OH : rot 0:sc= -0.107 USER MOD Set 3.1: A 22 THR OG1 : rot -140:sc= 0.0881 USER MOD Set 3.2: A 30 LYS NZ :NH3+ -163:sc= 0.0904 (180deg=-0.0548) USER MOD Set 4.1: A 29 SER OG : rot -132:sc= -0.399 USER MOD Set 4.2: A 73 THR OG1 : rot 171:sc= 0.291 USER MOD Set 5.1: A 25 ASN :FLIP amide:sc= -0.0882 F(o=-1.1,f=-0.088) USER MOD Set 5.2: A 98 ASN : amide:sc= 0 K(o=-0.088,f=-4.2!) USER MOD Set 6.1: A 11 THR OG1 : rot -33:sc= 0.299 USER MOD Set 6.2: A 39 SER OG : rot -124:sc= 0.0336 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= -0.571 X(o=-0.57,f=-0.53) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -2.42! USER MOD Single : A 31 GLN : amide:sc= -2.23! C(o=-2.2!,f=-4.7!) 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 42 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= -0.021 (180deg=-0.479) USER MOD Single : A 47 THR OG1 : rot 160:sc= -1.08 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -130:sc= -0.628 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -2.39 K(o=-2.4,f=-8.4!) 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= -0.625 K(o=-0.63,f=-2.7!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0865 USER MOD Single : A 79 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.1) 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 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 X(o=0,f=-0.025) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot -66:sc= 0.143 USER MOD ----------------------------------------------------------------- ATOM 141 N THR A 11 12.880 15.021 3.145 1.00 42.01 N ATOM 142 CA THR A 11 13.532 15.103 4.446 1.00 33.41 C ATOM 143 C THR A 11 12.860 16.145 5.333 1.00 41.03 C ATOM 144 O THR A 11 11.927 16.827 4.908 1.00 15.45 O ATOM 145 CB THR A 11 15.026 15.450 4.306 1.00 54.55 C ATOM 146 OG1 THR A 11 15.192 16.531 3.381 1.00 1.31 O ATOM 147 CG2 THR A 11 15.820 14.243 3.830 1.00 10.25 C ATOM 0 HA THR A 11 13.438 14.121 4.909 1.00 33.41 H new ATOM 0 HB THR A 11 15.401 15.748 5.285 1.00 54.55 H new ATOM 0 HG1 THR A 11 14.508 16.471 2.682 1.00 1.31 H new ATOM 0 HG21 THR A 11 16.872 14.513 3.739 1.00 10.25 H new ATOM 0 HG22 THR A 11 15.715 13.431 4.550 1.00 10.25 H new ATOM 0 HG23 THR A 11 15.443 13.919 2.860 1.00 10.25 H new ATOM 155 N LEU A 12 13.341 16.264 6.565 1.00 14.25 N ATOM 156 CA LEU A 12 12.787 17.225 7.513 1.00 53.31 C ATOM 157 C LEU A 12 13.585 18.525 7.500 1.00 60.04 C ATOM 158 O LEU A 12 14.778 18.535 7.803 1.00 41.55 O ATOM 159 CB LEU A 12 12.778 16.633 8.923 1.00 14.54 C ATOM 160 CG LEU A 12 12.457 15.142 9.023 1.00 35.24 C ATOM 161 CD1 LEU A 12 12.513 14.679 10.471 1.00 10.51 C ATOM 162 CD2 LEU A 12 11.090 14.849 8.421 1.00 62.11 C ATOM 0 H LEU A 12 14.113 15.707 6.931 1.00 14.25 H new ATOM 0 HA LEU A 12 11.763 17.446 7.212 1.00 53.31 H new ATOM 0 HB2 LEU A 12 13.756 16.805 9.374 1.00 14.54 H new ATOM 0 HB3 LEU A 12 12.050 17.182 9.521 1.00 14.54 H new ATOM 0 HG LEU A 12 13.208 14.590 8.457 1.00 35.24 H new ATOM 0 HD11 LEU A 12 12.282 13.615 10.522 1.00 10.51 H new ATOM 0 HD12 LEU A 12 13.512 14.853 10.870 1.00 10.51 H new ATOM 0 HD13 LEU A 12 11.785 15.237 11.060 1.00 10.51 H new ATOM 0 HD21 LEU A 12 10.878 13.783 8.501 1.00 62.11 H new ATOM 0 HD22 LEU A 12 10.327 15.412 8.959 1.00 62.11 H new ATOM 0 HD23 LEU A 12 11.084 15.142 7.371 1.00 62.11 H new ATOM 174 N SER A 13 12.918 19.620 7.149 1.00 71.35 N ATOM 175 CA SER A 13 13.565 20.925 7.094 1.00 4.13 C ATOM 176 C SER A 13 13.032 21.842 8.191 1.00 50.12 C ATOM 177 O SER A 13 13.799 22.509 8.885 1.00 11.20 O ATOM 178 CB SER A 13 13.347 21.570 5.724 1.00 25.40 C ATOM 179 OG SER A 13 13.385 22.983 5.814 1.00 53.34 O ATOM 0 H SER A 13 11.929 19.629 6.898 1.00 71.35 H new ATOM 0 HA SER A 13 14.634 20.780 7.253 1.00 4.13 H new ATOM 0 HB2 SER A 13 14.114 21.226 5.030 1.00 25.40 H new ATOM 0 HB3 SER A 13 12.386 21.254 5.319 1.00 25.40 H new ATOM 0 HG SER A 13 13.245 23.371 4.925 1.00 53.34 H new ATOM 185 N SER A 14 11.711 21.869 8.340 1.00 5.33 N ATOM 186 CA SER A 14 11.073 22.707 9.349 1.00 25.32 C ATOM 187 C SER A 14 9.728 22.122 9.769 1.00 24.12 C ATOM 188 O SER A 14 9.050 21.467 8.978 1.00 70.44 O ATOM 189 CB SER A 14 10.880 24.127 8.815 1.00 4.45 C ATOM 190 OG SER A 14 9.771 24.196 7.936 1.00 20.44 O ATOM 0 H SER A 14 11.062 21.321 7.775 1.00 5.33 H new ATOM 0 HA SER A 14 11.724 22.741 10.223 1.00 25.32 H new ATOM 0 HB2 SER A 14 10.731 24.815 9.648 1.00 4.45 H new ATOM 0 HB3 SER A 14 11.782 24.448 8.294 1.00 4.45 H new ATOM 0 HG SER A 14 9.668 25.115 7.610 1.00 20.44 H new ATOM 196 N ILE A 15 9.350 22.364 11.020 1.00 72.13 N ATOM 197 CA ILE A 15 8.086 21.863 11.545 1.00 30.32 C ATOM 198 C ILE A 15 7.366 22.932 12.360 1.00 44.44 C ATOM 199 O ILE A 15 7.999 23.802 12.958 1.00 25.24 O ATOM 200 CB ILE A 15 8.297 20.618 12.427 1.00 60.42 C ATOM 201 CG1 ILE A 15 9.197 19.607 11.713 1.00 71.12 C ATOM 202 CG2 ILE A 15 6.959 19.986 12.781 1.00 51.23 C ATOM 203 CD1 ILE A 15 8.579 19.027 10.460 1.00 40.34 C ATOM 0 H ILE A 15 9.901 22.903 11.688 1.00 72.13 H new ATOM 0 HA ILE A 15 7.474 21.591 10.685 1.00 30.32 H new ATOM 0 HB ILE A 15 8.788 20.925 13.351 1.00 60.42 H new ATOM 0 HG12 ILE A 15 10.139 20.091 11.453 1.00 71.12 H new ATOM 0 HG13 ILE A 15 9.435 18.795 12.400 1.00 71.12 H new ATOM 0 HG21 ILE A 15 7.125 19.107 13.404 1.00 51.23 H new ATOM 0 HG22 ILE A 15 6.349 20.707 13.325 1.00 51.23 H new ATOM 0 HG23 ILE A 15 6.443 19.690 11.867 1.00 51.23 H new ATOM 0 HD11 ILE A 15 9.272 18.319 10.007 1.00 40.34 H new ATOM 0 HD12 ILE A 15 7.652 18.514 10.715 1.00 40.34 H new ATOM 0 HD13 ILE A 15 8.367 19.830 9.754 1.00 40.34 H new ATOM 215 N SER A 16 6.039 22.861 12.379 1.00 63.04 N ATOM 216 CA SER A 16 5.232 23.824 13.118 1.00 5.53 C ATOM 217 C SER A 16 4.255 23.113 14.049 1.00 53.51 C ATOM 218 O SER A 16 3.544 22.196 13.637 1.00 51.45 O ATOM 219 CB SER A 16 4.467 24.730 12.151 1.00 21.32 C ATOM 220 OG SER A 16 4.972 26.053 12.184 1.00 51.50 O ATOM 0 H SER A 16 5.500 22.146 11.891 1.00 63.04 H new ATOM 0 HA SER A 16 5.903 24.435 13.722 1.00 5.53 H new ATOM 0 HB2 SER A 16 4.544 24.333 11.139 1.00 21.32 H new ATOM 0 HB3 SER A 16 3.409 24.735 12.412 1.00 21.32 H new ATOM 0 HG SER A 16 4.468 26.611 11.556 1.00 51.50 H new ATOM 226 N ILE A 17 4.225 23.543 15.306 1.00 40.52 N ATOM 227 CA ILE A 17 3.334 22.950 16.295 1.00 24.50 C ATOM 228 C ILE A 17 2.494 24.016 16.989 1.00 51.13 C ATOM 229 O ILE A 17 2.973 25.116 17.265 1.00 31.34 O ATOM 230 CB ILE A 17 4.121 22.160 17.358 1.00 34.31 C ATOM 231 CG1 ILE A 17 5.180 21.280 16.691 1.00 3.23 C ATOM 232 CG2 ILE A 17 3.174 21.314 18.197 1.00 1.32 C ATOM 233 CD1 ILE A 17 6.554 21.912 16.656 1.00 64.51 C ATOM 0 H ILE A 17 4.808 24.300 15.663 1.00 40.52 H new ATOM 0 HA ILE A 17 2.676 22.267 15.758 1.00 24.50 H new ATOM 0 HB ILE A 17 4.626 22.868 18.016 1.00 34.31 H new ATOM 0 HG12 ILE A 17 5.239 20.330 17.222 1.00 3.23 H new ATOM 0 HG13 ILE A 17 4.866 21.056 15.672 1.00 3.23 H new ATOM 0 HG21 ILE A 17 3.744 20.762 18.944 1.00 1.32 H new ATOM 0 HG22 ILE A 17 2.454 21.962 18.697 1.00 1.32 H new ATOM 0 HG23 ILE A 17 2.645 20.612 17.552 1.00 1.32 H new ATOM 0 HD11 ILE A 17 7.254 21.233 16.170 1.00 64.51 H new ATOM 0 HD12 ILE A 17 6.510 22.848 16.099 1.00 64.51 H new ATOM 0 HD13 ILE A 17 6.889 22.111 17.674 1.00 64.51 H new ATOM 245 N SER A 18 1.238 23.683 17.269 1.00 60.34 N ATOM 246 CA SER A 18 0.329 24.613 17.929 1.00 62.53 C ATOM 247 C SER A 18 -0.351 23.951 19.124 1.00 43.51 C ATOM 248 O SER A 18 -1.549 23.669 19.111 1.00 70.01 O ATOM 249 CB SER A 18 -0.726 25.115 16.941 1.00 4.43 C ATOM 250 OG SER A 18 -0.170 26.052 16.035 1.00 50.23 O ATOM 0 H SER A 18 0.827 22.776 17.049 1.00 60.34 H new ATOM 0 HA SER A 18 0.913 25.461 18.288 1.00 62.53 H new ATOM 0 HB2 SER A 18 -1.142 24.272 16.388 1.00 4.43 H new ATOM 0 HB3 SER A 18 -1.550 25.576 17.486 1.00 4.43 H new ATOM 0 HG SER A 18 -0.863 26.357 15.413 1.00 50.23 H new ATOM 256 N PRO A 19 0.432 23.698 20.183 1.00 10.23 N ATOM 257 CA PRO A 19 -0.072 23.068 21.407 1.00 20.01 C ATOM 258 C PRO A 19 -1.003 23.986 22.191 1.00 11.40 C ATOM 259 O PRO A 19 -1.057 25.191 21.941 1.00 22.00 O ATOM 260 CB PRO A 19 1.200 22.785 22.210 1.00 62.31 C ATOM 261 CG PRO A 19 2.188 23.787 21.721 1.00 52.20 C ATOM 262 CD PRO A 19 1.869 24.008 20.268 1.00 0.01 C ATOM 0 HA PRO A 19 -0.664 22.178 21.193 1.00 20.01 H new ATOM 0 HB2 PRO A 19 1.024 22.892 23.280 1.00 62.31 H new ATOM 0 HB3 PRO A 19 1.554 21.767 22.045 1.00 62.31 H new ATOM 0 HG2 PRO A 19 2.111 24.718 22.283 1.00 52.20 H new ATOM 0 HG3 PRO A 19 3.208 23.423 21.846 1.00 52.20 H new ATOM 0 HD2 PRO A 19 2.078 25.033 19.962 1.00 0.01 H new ATOM 0 HD3 PRO A 19 2.459 23.357 19.623 1.00 0.01 H new ATOM 270 N ILE A 20 -1.734 23.411 23.140 1.00 61.54 N ATOM 271 CA ILE A 20 -2.661 24.179 23.961 1.00 74.33 C ATOM 272 C ILE A 20 -2.553 23.782 25.429 1.00 14.43 C ATOM 273 O ILE A 20 -2.294 22.624 25.753 1.00 51.25 O ATOM 274 CB ILE A 20 -4.117 23.988 23.495 1.00 61.42 C ATOM 275 CG1 ILE A 20 -4.474 22.500 23.463 1.00 10.10 C ATOM 276 CG2 ILE A 20 -4.321 24.616 22.125 1.00 53.34 C ATOM 277 CD1 ILE A 20 -5.899 22.230 23.035 1.00 74.12 C ATOM 0 H ILE A 20 -1.702 22.415 23.359 1.00 61.54 H new ATOM 0 HA ILE A 20 -2.387 25.228 23.849 1.00 74.33 H new ATOM 0 HB ILE A 20 -4.778 24.486 24.204 1.00 61.42 H new ATOM 0 HG12 ILE A 20 -3.795 21.986 22.782 1.00 10.10 H new ATOM 0 HG13 ILE A 20 -4.314 22.075 24.454 1.00 10.10 H new ATOM 0 HG21 ILE A 20 -5.354 24.473 21.809 1.00 53.34 H new ATOM 0 HG22 ILE A 20 -4.102 25.682 22.177 1.00 53.34 H new ATOM 0 HG23 ILE A 20 -3.653 24.143 21.405 1.00 53.34 H new ATOM 0 HD11 ILE A 20 -6.082 21.155 23.035 1.00 74.12 H new ATOM 0 HD12 ILE A 20 -6.585 22.715 23.729 1.00 74.12 H new ATOM 0 HD13 ILE A 20 -6.059 22.625 22.032 1.00 74.12 H new ATOM 289 N ASN A 21 -2.756 24.753 26.315 1.00 61.33 N ATOM 290 CA ASN A 21 -2.683 24.505 27.750 1.00 5.01 C ATOM 291 C ASN A 21 -4.071 24.550 28.381 1.00 23.44 C ATOM 292 O ASN A 21 -4.642 25.623 28.578 1.00 73.25 O ATOM 293 CB ASN A 21 -1.772 25.535 28.421 1.00 43.54 C ATOM 294 CG ASN A 21 -2.031 26.945 27.925 1.00 4.22 C ATOM 295 OD1 ASN A 21 -2.960 27.613 28.378 1.00 53.20 O ATOM 296 ND2 ASN A 21 -1.207 27.404 26.990 1.00 10.10 N ATOM 0 H ASN A 21 -2.972 25.718 26.064 1.00 61.33 H new ATOM 0 HA ASN A 21 -2.267 23.509 27.901 1.00 5.01 H new ATOM 0 HB2 ASN A 21 -1.921 25.499 29.500 1.00 43.54 H new ATOM 0 HB3 ASN A 21 -0.731 25.272 28.234 1.00 43.54 H new ATOM 0 HD21 ASN A 21 -1.331 28.346 26.618 1.00 10.10 H new ATOM 0 HD22 ASN A 21 -0.450 26.815 26.644 1.00 10.10 H new ATOM 303 N THR A 22 -4.609 23.376 28.699 1.00 64.02 N ATOM 304 CA THR A 22 -5.929 23.280 29.307 1.00 14.13 C ATOM 305 C THR A 22 -5.906 22.371 30.531 1.00 13.51 C ATOM 306 O THR A 22 -5.015 21.536 30.679 1.00 53.32 O ATOM 307 CB THR A 22 -6.972 22.748 28.306 1.00 21.52 C ATOM 308 OG1 THR A 22 -6.600 23.111 26.972 1.00 13.20 O ATOM 309 CG2 THR A 22 -8.355 23.298 28.621 1.00 62.22 C ATOM 0 H THR A 22 -4.150 22.478 28.545 1.00 64.02 H new ATOM 0 HA THR A 22 -6.210 24.288 29.612 1.00 14.13 H new ATOM 0 HB THR A 22 -7.003 21.662 28.391 1.00 21.52 H new ATOM 0 HG1 THR A 22 -7.400 23.372 26.469 1.00 13.20 H new ATOM 0 HG21 THR A 22 -9.074 22.908 27.901 1.00 62.22 H new ATOM 0 HG22 THR A 22 -8.647 22.994 29.626 1.00 62.22 H new ATOM 0 HG23 THR A 22 -8.336 24.386 28.562 1.00 62.22 H new ATOM 317 N ASN A 23 -6.892 22.540 31.406 1.00 35.21 N ATOM 318 CA ASN A 23 -6.985 21.734 32.618 1.00 21.20 C ATOM 319 C ASN A 23 -8.140 20.741 32.524 1.00 25.03 C ATOM 320 O ASN A 23 -9.239 21.091 32.095 1.00 12.30 O ATOM 321 CB ASN A 23 -7.170 22.634 33.841 1.00 24.03 C ATOM 322 CG ASN A 23 -5.896 23.366 34.218 1.00 21.55 C ATOM 323 OD1 ASN A 23 -5.472 23.341 35.374 1.00 65.22 O ATOM 324 ND2 ASN A 23 -5.280 24.022 33.242 1.00 24.13 N ATOM 0 H ASN A 23 -7.638 23.228 31.298 1.00 35.21 H new ATOM 0 HA ASN A 23 -6.056 21.174 32.724 1.00 21.20 H new ATOM 0 HB2 ASN A 23 -7.957 23.361 33.638 1.00 24.03 H new ATOM 0 HB3 ASN A 23 -7.503 22.031 34.686 1.00 24.03 H new ATOM 0 HD21 ASN A 23 -4.419 24.533 33.435 1.00 24.13 H new ATOM 0 HD22 ASN A 23 -5.668 24.015 32.299 1.00 24.13 H new ATOM 331 N ILE A 24 -7.882 19.502 32.929 1.00 5.01 N ATOM 332 CA ILE A 24 -8.899 18.459 32.892 1.00 14.34 C ATOM 333 C ILE A 24 -8.802 17.552 34.114 1.00 3.44 C ATOM 334 O ILE A 24 -7.738 17.420 34.718 1.00 10.12 O ATOM 335 CB ILE A 24 -8.780 17.601 31.619 1.00 34.02 C ATOM 336 CG1 ILE A 24 -8.651 18.496 30.385 1.00 61.21 C ATOM 337 CG2 ILE A 24 -9.983 16.679 31.488 1.00 73.22 C ATOM 338 CD1 ILE A 24 -9.924 19.237 30.040 1.00 64.25 C ATOM 0 H ILE A 24 -6.977 19.196 33.287 1.00 5.01 H new ATOM 0 HA ILE A 24 -9.866 18.962 32.892 1.00 14.34 H new ATOM 0 HB ILE A 24 -7.883 16.987 31.695 1.00 34.02 H new ATOM 0 HG12 ILE A 24 -7.853 19.219 30.553 1.00 61.21 H new ATOM 0 HG13 ILE A 24 -8.353 17.885 29.533 1.00 61.21 H new ATOM 0 HG21 ILE A 24 -9.885 16.079 30.583 1.00 73.22 H new ATOM 0 HG22 ILE A 24 -10.034 16.022 32.356 1.00 73.22 H new ATOM 0 HG23 ILE A 24 -10.894 17.275 31.431 1.00 73.22 H new ATOM 0 HD11 ILE A 24 -9.759 19.852 29.155 1.00 64.25 H new ATOM 0 HD12 ILE A 24 -10.720 18.520 29.840 1.00 64.25 H new ATOM 0 HD13 ILE A 24 -10.212 19.875 30.876 1.00 64.25 H new ATOM 350 N ASN A 25 -9.919 16.928 34.472 1.00 12.21 N ATOM 351 CA ASN A 25 -9.959 16.032 35.622 1.00 75.22 C ATOM 352 C ASN A 25 -10.307 14.610 35.191 1.00 1.02 C ATOM 353 O ASN A 25 -10.616 14.360 34.026 1.00 75.13 O ATOM 354 CB ASN A 25 -10.980 16.530 36.648 1.00 62.35 C ATOM 355 CG ASN A 25 -10.328 16.979 37.941 1.00 65.22 C ATOM 356 OD1 ASN A 25 -9.403 16.172 38.448 1.00 61.04 O flip ATOM 357 ND2 ASN A 25 -10.651 18.039 38.477 1.00 32.35 N flip ATOM 0 H ASN A 25 -10.809 17.026 33.983 1.00 12.21 H new ATOM 0 HA ASN A 25 -8.969 16.023 36.079 1.00 75.22 H new ATOM 0 HB2 ASN A 25 -11.544 17.359 36.222 1.00 62.35 H new ATOM 0 HB3 ASN A 25 -11.694 15.735 36.861 1.00 62.35 H new ATOM 0 HD21 ASN A 25 -11.367 18.628 38.052 1.00 32.35 H new ATOM 0 HD22 ASN A 25 -10.203 18.328 39.346 1.00 32.35 H new ATOM 364 N THR A 26 -10.254 13.680 36.140 1.00 12.42 N ATOM 365 CA THR A 26 -10.563 12.284 35.860 1.00 65.21 C ATOM 366 C THR A 26 -9.535 11.673 34.914 1.00 22.02 C ATOM 367 O THR A 26 -8.592 11.010 35.349 1.00 42.45 O ATOM 368 CB THR A 26 -11.966 12.131 35.243 1.00 4.11 C ATOM 369 OG1 THR A 26 -12.961 12.564 36.177 1.00 51.33 O ATOM 370 CG2 THR A 26 -12.229 10.686 34.848 1.00 64.22 C ATOM 0 H THR A 26 -10.000 13.869 37.110 1.00 12.42 H new ATOM 0 HA THR A 26 -10.535 11.757 36.814 1.00 65.21 H new ATOM 0 HB THR A 26 -12.015 12.750 34.347 1.00 4.11 H new ATOM 0 HG1 THR A 26 -13.850 12.465 35.777 1.00 51.33 H new ATOM 0 HG21 THR A 26 -13.226 10.603 34.415 1.00 64.22 H new ATOM 0 HG22 THR A 26 -11.487 10.368 34.115 1.00 64.22 H new ATOM 0 HG23 THR A 26 -12.163 10.050 35.731 1.00 64.22 H new ATOM 378 N THR A 27 -9.722 11.900 33.618 1.00 42.03 N ATOM 379 CA THR A 27 -8.811 11.372 32.610 1.00 30.41 C ATOM 380 C THR A 27 -9.268 11.746 31.205 1.00 54.10 C ATOM 381 O THR A 27 -10.305 11.279 30.733 1.00 32.34 O ATOM 382 CB THR A 27 -8.693 9.839 32.708 1.00 73.22 C ATOM 383 OG1 THR A 27 -9.752 9.317 33.518 1.00 30.14 O ATOM 384 CG2 THR A 27 -7.350 9.436 33.298 1.00 72.12 C ATOM 0 H THR A 27 -10.497 12.446 33.241 1.00 42.03 H new ATOM 0 HA THR A 27 -7.835 11.818 32.802 1.00 30.41 H new ATOM 0 HB THR A 27 -8.768 9.426 31.702 1.00 73.22 H new ATOM 0 HG1 THR A 27 -9.671 8.342 33.574 1.00 30.14 H new ATOM 0 HG21 THR A 27 -7.290 8.349 33.357 1.00 72.12 H new ATOM 0 HG22 THR A 27 -6.547 9.810 32.663 1.00 72.12 H new ATOM 0 HG23 THR A 27 -7.250 9.860 34.297 1.00 72.12 H new ATOM 392 N VAL A 28 -8.488 12.592 30.539 1.00 33.04 N ATOM 393 CA VAL A 28 -8.813 13.028 29.186 1.00 23.05 C ATOM 394 C VAL A 28 -7.550 13.344 28.393 1.00 3.23 C ATOM 395 O VAL A 28 -6.548 13.789 28.953 1.00 23.23 O ATOM 396 CB VAL A 28 -9.722 14.271 29.200 1.00 2.22 C ATOM 397 CG1 VAL A 28 -10.105 14.668 27.783 1.00 54.12 C ATOM 398 CG2 VAL A 28 -10.961 14.015 30.045 1.00 43.40 C ATOM 0 H VAL A 28 -7.627 12.989 30.915 1.00 33.04 H new ATOM 0 HA VAL A 28 -9.343 12.205 28.707 1.00 23.05 H new ATOM 0 HB VAL A 28 -9.171 15.098 29.647 1.00 2.22 H new ATOM 0 HG11 VAL A 28 -10.747 15.548 27.813 1.00 54.12 H new ATOM 0 HG12 VAL A 28 -9.204 14.895 27.213 1.00 54.12 H new ATOM 0 HG13 VAL A 28 -10.638 13.846 27.306 1.00 54.12 H new ATOM 0 HG21 VAL A 28 -11.592 14.904 30.044 1.00 43.40 H new ATOM 0 HG22 VAL A 28 -11.517 13.174 29.630 1.00 43.40 H new ATOM 0 HG23 VAL A 28 -10.663 13.783 31.067 1.00 43.40 H new ATOM 408 N SER A 29 -7.605 13.112 27.086 1.00 40.13 N ATOM 409 CA SER A 29 -6.464 13.369 26.215 1.00 40.12 C ATOM 410 C SER A 29 -6.597 14.727 25.532 1.00 23.10 C ATOM 411 O SER A 29 -7.690 15.133 25.138 1.00 12.11 O ATOM 412 CB SER A 29 -6.340 12.266 25.162 1.00 74.00 C ATOM 413 OG SER A 29 -6.984 11.078 25.590 1.00 55.44 O ATOM 0 H SER A 29 -8.428 12.746 26.606 1.00 40.13 H new ATOM 0 HA SER A 29 -5.564 13.377 26.830 1.00 40.12 H new ATOM 0 HB2 SER A 29 -6.779 12.604 24.223 1.00 74.00 H new ATOM 0 HB3 SER A 29 -5.287 12.062 24.966 1.00 74.00 H new ATOM 0 HG SER A 29 -6.389 10.313 25.444 1.00 55.44 H new ATOM 419 N LYS A 30 -5.475 15.425 25.395 1.00 3.41 N ATOM 420 CA LYS A 30 -5.462 16.737 24.759 1.00 14.42 C ATOM 421 C LYS A 30 -5.055 16.628 23.294 1.00 65.15 C ATOM 422 O LYS A 30 -3.993 16.094 22.974 1.00 22.24 O ATOM 423 CB LYS A 30 -4.505 17.676 25.497 1.00 21.33 C ATOM 424 CG LYS A 30 -5.210 18.726 26.339 1.00 70.45 C ATOM 425 CD LYS A 30 -6.092 19.623 25.486 1.00 30.34 C ATOM 426 CE LYS A 30 -7.566 19.418 25.802 1.00 23.12 C ATOM 427 NZ LYS A 30 -8.346 20.677 25.648 1.00 32.23 N ATOM 0 H LYS A 30 -4.562 15.104 25.716 1.00 3.41 H new ATOM 0 HA LYS A 30 -6.471 17.146 24.808 1.00 14.42 H new ATOM 0 HB2 LYS A 30 -3.853 17.085 26.140 1.00 21.33 H new ATOM 0 HB3 LYS A 30 -3.866 18.176 24.769 1.00 21.33 H new ATOM 0 HG2 LYS A 30 -5.816 18.236 27.101 1.00 70.45 H new ATOM 0 HG3 LYS A 30 -4.470 19.332 26.862 1.00 70.45 H new ATOM 0 HD2 LYS A 30 -5.824 20.666 25.655 1.00 30.34 H new ATOM 0 HD3 LYS A 30 -5.912 19.415 24.431 1.00 30.34 H new ATOM 0 HE2 LYS A 30 -7.976 18.654 25.142 1.00 23.12 H new ATOM 0 HE3 LYS A 30 -7.671 19.048 26.822 1.00 23.12 H new ATOM 0 HZ1 LYS A 30 -9.260 20.581 26.136 1.00 32.23 H new ATOM 0 HZ2 LYS A 30 -7.813 21.468 26.063 1.00 32.23 H new ATOM 0 HZ3 LYS A 30 -8.510 20.862 24.638 1.00 32.23 H new ATOM 441 N GLN A 31 -5.904 17.138 22.408 1.00 51.12 N ATOM 442 CA GLN A 31 -5.630 17.098 20.976 1.00 32.52 C ATOM 443 C GLN A 31 -5.038 18.419 20.498 1.00 62.13 C ATOM 444 O GLN A 31 -5.690 19.461 20.557 1.00 53.33 O ATOM 445 CB GLN A 31 -6.911 16.788 20.199 1.00 1.01 C ATOM 446 CG GLN A 31 -6.692 16.631 18.703 1.00 22.51 C ATOM 447 CD GLN A 31 -5.571 15.664 18.376 1.00 21.31 C ATOM 448 OE1 GLN A 31 -5.796 14.462 18.226 1.00 42.43 O ATOM 449 NE2 GLN A 31 -4.354 16.184 18.264 1.00 72.41 N ATOM 0 H GLN A 31 -6.787 17.584 22.656 1.00 51.12 H new ATOM 0 HA GLN A 31 -4.902 16.308 20.793 1.00 32.52 H new ATOM 0 HB2 GLN A 31 -7.351 15.871 20.592 1.00 1.01 H new ATOM 0 HB3 GLN A 31 -7.632 17.587 20.370 1.00 1.01 H new ATOM 0 HG2 GLN A 31 -7.615 16.282 18.239 1.00 22.51 H new ATOM 0 HG3 GLN A 31 -6.465 17.605 18.269 1.00 22.51 H new ATOM 0 HE21 GLN A 31 -4.213 17.186 18.396 1.00 72.41 H new ATOM 0 HE22 GLN A 31 -3.560 15.582 18.046 1.00 72.41 H new ATOM 458 N PHE A 32 -3.797 18.368 20.024 1.00 52.31 N ATOM 459 CA PHE A 32 -3.116 19.562 19.536 1.00 21.22 C ATOM 460 C PHE A 32 -3.004 19.541 18.015 1.00 72.24 C ATOM 461 O PHE A 32 -3.597 18.692 17.349 1.00 72.40 O ATOM 462 CB PHE A 32 -1.723 19.670 20.160 1.00 42.33 C ATOM 463 CG PHE A 32 -0.704 18.779 19.509 1.00 43.33 C ATOM 464 CD1 PHE A 32 -0.749 17.406 19.688 1.00 1.23 C ATOM 465 CD2 PHE A 32 0.300 19.315 18.718 1.00 53.14 C ATOM 466 CE1 PHE A 32 0.187 16.583 19.090 1.00 1.44 C ATOM 467 CE2 PHE A 32 1.238 18.497 18.117 1.00 41.32 C ATOM 468 CZ PHE A 32 1.182 17.130 18.304 1.00 25.05 C ATOM 0 H PHE A 32 -3.243 17.513 19.968 1.00 52.31 H new ATOM 0 HA PHE A 32 -3.706 20.431 19.827 1.00 21.22 H new ATOM 0 HB2 PHE A 32 -1.384 20.704 20.096 1.00 42.33 H new ATOM 0 HB3 PHE A 32 -1.788 19.421 21.219 1.00 42.33 H new ATOM 0 HD1 PHE A 32 -1.525 16.973 20.302 1.00 1.23 H new ATOM 0 HD2 PHE A 32 0.350 20.384 18.570 1.00 53.14 H new ATOM 0 HE1 PHE A 32 0.140 15.514 19.237 1.00 1.44 H new ATOM 0 HE2 PHE A 32 2.014 18.927 17.501 1.00 41.32 H new ATOM 0 HZ PHE A 32 1.915 16.490 17.836 1.00 25.05 H new ATOM 478 N PHE A 33 -2.240 20.482 17.470 1.00 11.14 N ATOM 479 CA PHE A 33 -2.051 20.574 16.027 1.00 31.33 C ATOM 480 C PHE A 33 -0.590 20.341 15.654 1.00 20.33 C ATOM 481 O PHE A 33 0.319 20.828 16.326 1.00 15.11 O ATOM 482 CB PHE A 33 -2.507 21.942 15.518 1.00 54.43 C ATOM 483 CG PHE A 33 -3.647 21.869 14.542 1.00 44.34 C ATOM 484 CD1 PHE A 33 -3.504 21.196 13.339 1.00 45.42 C ATOM 485 CD2 PHE A 33 -4.861 22.473 14.827 1.00 44.01 C ATOM 486 CE1 PHE A 33 -4.550 21.128 12.439 1.00 50.44 C ATOM 487 CE2 PHE A 33 -5.911 22.408 13.931 1.00 41.13 C ATOM 488 CZ PHE A 33 -5.756 21.734 12.735 1.00 25.14 C ATOM 0 H PHE A 33 -1.741 21.192 18.006 1.00 11.14 H new ATOM 0 HA PHE A 33 -2.656 19.799 15.556 1.00 31.33 H new ATOM 0 HB2 PHE A 33 -2.805 22.556 16.368 1.00 54.43 H new ATOM 0 HB3 PHE A 33 -1.664 22.444 15.043 1.00 54.43 H new ATOM 0 HD1 PHE A 33 -2.564 20.719 13.102 1.00 45.42 H new ATOM 0 HD2 PHE A 33 -4.988 23.001 15.761 1.00 44.01 H new ATOM 0 HE1 PHE A 33 -4.425 20.601 11.504 1.00 50.44 H new ATOM 0 HE2 PHE A 33 -6.852 22.884 14.165 1.00 41.13 H new ATOM 0 HZ PHE A 33 -6.575 21.681 12.033 1.00 25.14 H new ATOM 498 N ALA A 34 -0.372 19.591 14.578 1.00 15.53 N ATOM 499 CA ALA A 34 0.977 19.294 14.114 1.00 0.54 C ATOM 500 C ALA A 34 1.058 19.347 12.593 1.00 44.04 C ATOM 501 O ALA A 34 0.325 18.644 11.897 1.00 42.11 O ATOM 502 CB ALA A 34 1.421 17.931 14.622 1.00 64.32 C ATOM 0 H ALA A 34 -1.113 19.178 14.012 1.00 15.53 H new ATOM 0 HA ALA A 34 1.648 20.054 14.513 1.00 0.54 H new ATOM 0 HB1 ALA A 34 2.430 17.722 14.268 1.00 64.32 H new ATOM 0 HB2 ALA A 34 1.411 17.928 15.712 1.00 64.32 H new ATOM 0 HB3 ALA A 34 0.740 17.165 14.251 1.00 64.32 H new ATOM 508 N VAL A 35 1.954 20.185 12.081 1.00 43.30 N ATOM 509 CA VAL A 35 2.132 20.329 10.641 1.00 54.30 C ATOM 510 C VAL A 35 3.599 20.194 10.252 1.00 44.42 C ATOM 511 O VAL A 35 4.454 20.927 10.748 1.00 11.21 O ATOM 512 CB VAL A 35 1.603 21.688 10.143 1.00 34.44 C ATOM 513 CG1 VAL A 35 0.082 21.712 10.174 1.00 40.32 C ATOM 514 CG2 VAL A 35 2.179 22.821 10.978 1.00 42.44 C ATOM 0 H VAL A 35 2.568 20.775 12.643 1.00 43.30 H new ATOM 0 HA VAL A 35 1.560 19.530 10.170 1.00 54.30 H new ATOM 0 HB VAL A 35 1.924 21.828 9.111 1.00 34.44 H new ATOM 0 HG11 VAL A 35 -0.274 22.679 9.819 1.00 40.32 H new ATOM 0 HG12 VAL A 35 -0.308 20.923 9.530 1.00 40.32 H new ATOM 0 HG13 VAL A 35 -0.264 21.551 11.195 1.00 40.32 H new ATOM 0 HG21 VAL A 35 1.795 23.774 10.613 1.00 42.44 H new ATOM 0 HG22 VAL A 35 1.889 22.689 12.020 1.00 42.44 H new ATOM 0 HG23 VAL A 35 3.266 22.814 10.900 1.00 42.44 H new ATOM 524 N GLY A 36 3.885 19.252 9.359 1.00 62.33 N ATOM 525 CA GLY A 36 5.251 19.038 8.917 1.00 31.31 C ATOM 526 C GLY A 36 5.482 19.511 7.496 1.00 53.41 C ATOM 527 O GLY A 36 4.698 19.206 6.596 1.00 1.30 O ATOM 0 H GLY A 36 3.195 18.633 8.933 1.00 62.33 H new ATOM 0 HA2 GLY A 36 5.933 19.563 9.586 1.00 31.31 H new ATOM 0 HA3 GLY A 36 5.490 17.977 8.987 1.00 31.31 H new ATOM 531 N THR A 37 6.560 20.262 7.291 1.00 30.24 N ATOM 532 CA THR A 37 6.890 20.781 5.970 1.00 3.34 C ATOM 533 C THR A 37 8.178 20.160 5.442 1.00 41.24 C ATOM 534 O THR A 37 9.244 20.316 6.037 1.00 3.42 O ATOM 535 CB THR A 37 7.044 22.314 5.992 1.00 71.22 C ATOM 536 OG1 THR A 37 5.895 22.913 6.600 1.00 34.14 O ATOM 537 CG2 THR A 37 7.221 22.860 4.583 1.00 75.42 C ATOM 0 H THR A 37 7.219 20.524 8.024 1.00 30.24 H new ATOM 0 HA THR A 37 6.064 20.515 5.310 1.00 3.34 H new ATOM 0 HB THR A 37 7.932 22.560 6.574 1.00 71.22 H new ATOM 0 HG1 THR A 37 6.001 23.887 6.612 1.00 34.14 H new ATOM 0 HG21 THR A 37 7.328 23.944 4.624 1.00 75.42 H new ATOM 0 HG22 THR A 37 8.113 22.424 4.133 1.00 75.42 H new ATOM 0 HG23 THR A 37 6.349 22.604 3.981 1.00 75.42 H new ATOM 545 N TYR A 38 8.073 19.456 4.320 1.00 13.22 N ATOM 546 CA TYR A 38 9.229 18.810 3.712 1.00 65.21 C ATOM 547 C TYR A 38 10.108 19.829 2.993 1.00 54.32 C ATOM 548 O TYR A 38 9.608 20.769 2.374 1.00 21.02 O ATOM 549 CB TYR A 38 8.778 17.727 2.731 1.00 54.05 C ATOM 550 CG TYR A 38 8.160 16.521 3.402 1.00 51.23 C ATOM 551 CD1 TYR A 38 8.753 15.942 4.516 1.00 22.34 C ATOM 552 CD2 TYR A 38 6.982 15.962 2.921 1.00 30.15 C ATOM 553 CE1 TYR A 38 8.193 14.839 5.132 1.00 14.51 C ATOM 554 CE2 TYR A 38 6.413 14.861 3.532 1.00 65.53 C ATOM 555 CZ TYR A 38 7.023 14.303 4.636 1.00 32.33 C ATOM 556 OH TYR A 38 6.460 13.206 5.248 1.00 64.43 O ATOM 0 H TYR A 38 7.198 19.319 3.813 1.00 13.22 H new ATOM 0 HA TYR A 38 9.815 18.349 4.507 1.00 65.21 H new ATOM 0 HB2 TYR A 38 8.056 18.156 2.037 1.00 54.05 H new ATOM 0 HB3 TYR A 38 9.635 17.404 2.140 1.00 54.05 H new ATOM 0 HD1 TYR A 38 9.668 16.361 4.908 1.00 22.34 H new ATOM 0 HD2 TYR A 38 6.503 16.395 2.055 1.00 30.15 H new ATOM 0 HE1 TYR A 38 8.669 14.399 5.996 1.00 14.51 H new ATOM 0 HE2 TYR A 38 5.496 14.440 3.147 1.00 65.53 H new ATOM 0 HH TYR A 38 5.639 12.954 4.776 1.00 64.43 H new ATOM 566 N SER A 39 11.420 19.635 3.079 1.00 52.42 N ATOM 567 CA SER A 39 12.369 20.539 2.440 1.00 65.34 C ATOM 568 C SER A 39 12.142 20.588 0.932 1.00 71.12 C ATOM 569 O SER A 39 12.543 21.541 0.263 1.00 31.31 O ATOM 570 CB SER A 39 13.804 20.098 2.736 1.00 21.41 C ATOM 571 OG SER A 39 14.278 19.204 1.744 1.00 62.30 O ATOM 0 H SER A 39 11.850 18.860 3.585 1.00 52.42 H new ATOM 0 HA SER A 39 12.211 21.538 2.847 1.00 65.34 H new ATOM 0 HB2 SER A 39 14.454 20.972 2.783 1.00 21.41 H new ATOM 0 HB3 SER A 39 13.846 19.617 3.713 1.00 21.41 H new ATOM 0 HG SER A 39 14.574 18.372 2.168 1.00 62.30 H new ATOM 577 N ASP A 40 11.496 19.554 0.403 1.00 12.45 N ATOM 578 CA ASP A 40 11.213 19.479 -1.025 1.00 60.32 C ATOM 579 C ASP A 40 10.160 20.507 -1.426 1.00 44.50 C ATOM 580 O ASP A 40 9.925 20.741 -2.611 1.00 24.12 O ATOM 581 CB ASP A 40 10.739 18.073 -1.399 1.00 41.42 C ATOM 582 CG ASP A 40 11.819 17.262 -2.087 1.00 25.15 C ATOM 583 OD1 ASP A 40 13.006 17.437 -1.738 1.00 30.24 O ATOM 584 OD2 ASP A 40 11.479 16.451 -2.973 1.00 15.13 O ATOM 0 H ASP A 40 11.159 18.757 0.942 1.00 12.45 H new ATOM 0 HA ASP A 40 12.134 19.700 -1.565 1.00 60.32 H new ATOM 0 HB2 ASP A 40 10.414 17.551 -0.499 1.00 41.42 H new ATOM 0 HB3 ASP A 40 9.871 18.148 -2.055 1.00 41.42 H new ATOM 589 N GLY A 41 9.528 21.119 -0.429 1.00 42.51 N ATOM 590 CA GLY A 41 8.507 22.115 -0.698 1.00 42.02 C ATOM 591 C GLY A 41 7.105 21.550 -0.591 1.00 55.45 C ATOM 592 O GLY A 41 6.256 21.807 -1.447 1.00 25.40 O ATOM 0 H GLY A 41 9.705 20.943 0.560 1.00 42.51 H new ATOM 0 HA2 GLY A 41 8.617 22.942 0.003 1.00 42.02 H new ATOM 0 HA3 GLY A 41 8.656 22.523 -1.698 1.00 42.02 H new ATOM 596 N THR A 42 6.858 20.777 0.462 1.00 52.25 N ATOM 597 CA THR A 42 5.549 20.172 0.676 1.00 44.13 C ATOM 598 C THR A 42 5.048 20.434 2.091 1.00 33.22 C ATOM 599 O THR A 42 5.804 20.871 2.958 1.00 2.54 O ATOM 600 CB THR A 42 5.586 18.652 0.429 1.00 2.12 C ATOM 601 OG1 THR A 42 6.874 18.267 -0.063 1.00 65.32 O ATOM 602 CG2 THR A 42 4.513 18.239 -0.567 1.00 12.24 C ATOM 0 H THR A 42 7.548 20.555 1.180 1.00 52.25 H new ATOM 0 HA THR A 42 4.867 20.632 -0.039 1.00 44.13 H new ATOM 0 HB THR A 42 5.394 18.148 1.376 1.00 2.12 H new ATOM 0 HG1 THR A 42 6.890 17.299 -0.216 1.00 65.32 H new ATOM 0 HG21 THR A 42 4.559 17.162 -0.725 1.00 12.24 H new ATOM 0 HG22 THR A 42 3.531 18.507 -0.176 1.00 12.24 H new ATOM 0 HG23 THR A 42 4.679 18.752 -1.514 1.00 12.24 H new ATOM 610 N LYS A 43 3.767 20.163 2.320 1.00 62.34 N ATOM 611 CA LYS A 43 3.163 20.367 3.631 1.00 25.30 C ATOM 612 C LYS A 43 2.093 19.315 3.907 1.00 44.31 C ATOM 613 O LYS A 43 1.186 19.113 3.101 1.00 40.35 O ATOM 614 CB LYS A 43 2.553 21.767 3.722 1.00 40.10 C ATOM 615 CG LYS A 43 2.195 22.184 5.138 1.00 23.11 C ATOM 616 CD LYS A 43 2.280 23.691 5.314 1.00 34.20 C ATOM 617 CE LYS A 43 0.909 24.300 5.564 1.00 54.30 C ATOM 618 NZ LYS A 43 -0.068 23.922 4.505 1.00 1.22 N ATOM 0 H LYS A 43 3.127 19.801 1.613 1.00 62.34 H new ATOM 0 HA LYS A 43 3.946 20.269 4.383 1.00 25.30 H new ATOM 0 HB2 LYS A 43 3.257 22.488 3.307 1.00 40.10 H new ATOM 0 HB3 LYS A 43 1.656 21.804 3.104 1.00 40.10 H new ATOM 0 HG2 LYS A 43 1.186 21.846 5.374 1.00 23.11 H new ATOM 0 HG3 LYS A 43 2.868 21.696 5.843 1.00 23.11 H new ATOM 0 HD2 LYS A 43 2.941 23.924 6.149 1.00 34.20 H new ATOM 0 HD3 LYS A 43 2.721 24.138 4.423 1.00 34.20 H new ATOM 0 HE2 LYS A 43 0.537 23.972 6.535 1.00 54.30 H new ATOM 0 HE3 LYS A 43 0.996 25.386 5.607 1.00 54.30 H new ATOM 0 HZ1 LYS A 43 -0.816 24.642 4.450 1.00 1.22 H new ATOM 0 HZ2 LYS A 43 0.420 23.859 3.589 1.00 1.22 H new ATOM 0 HZ3 LYS A 43 -0.491 23.000 4.736 1.00 1.22 H new ATOM 632 N ALA A 44 2.206 18.650 5.052 1.00 75.43 N ATOM 633 CA ALA A 44 1.246 17.622 5.435 1.00 75.11 C ATOM 634 C ALA A 44 1.146 17.502 6.952 1.00 51.11 C ATOM 635 O ALA A 44 2.155 17.551 7.656 1.00 71.35 O ATOM 636 CB ALA A 44 1.632 16.284 4.822 1.00 31.11 C ATOM 0 H ALA A 44 2.952 18.805 5.730 1.00 75.43 H new ATOM 0 HA ALA A 44 0.267 17.914 5.055 1.00 75.11 H new ATOM 0 HB1 ALA A 44 0.906 15.526 5.117 1.00 31.11 H new ATOM 0 HB2 ALA A 44 1.645 16.372 3.736 1.00 31.11 H new ATOM 0 HB3 ALA A 44 2.622 15.995 5.174 1.00 31.11 H new ATOM 642 N ASP A 45 -0.076 17.346 7.449 1.00 0.12 N ATOM 643 CA ASP A 45 -0.307 17.219 8.883 1.00 32.14 C ATOM 644 C ASP A 45 0.236 15.893 9.406 1.00 71.40 C ATOM 645 O ASP A 45 -0.456 14.874 9.383 1.00 31.12 O ATOM 646 CB ASP A 45 -1.801 17.330 9.193 1.00 70.14 C ATOM 647 CG ASP A 45 -2.649 16.486 8.262 1.00 71.23 C ATOM 648 OD1 ASP A 45 -2.750 16.838 7.068 1.00 5.21 O ATOM 649 OD2 ASP A 45 -3.213 15.473 8.727 1.00 53.10 O ATOM 0 H ASP A 45 -0.922 17.304 6.880 1.00 0.12 H new ATOM 0 HA ASP A 45 0.221 18.030 9.384 1.00 32.14 H new ATOM 0 HB2 ASP A 45 -1.979 17.021 10.223 1.00 70.14 H new ATOM 0 HB3 ASP A 45 -2.109 18.373 9.115 1.00 70.14 H new ATOM 654 N LEU A 46 1.478 15.912 9.875 1.00 25.13 N ATOM 655 CA LEU A 46 2.116 14.710 10.403 1.00 12.40 C ATOM 656 C LEU A 46 2.337 14.827 11.908 1.00 54.23 C ATOM 657 O LEU A 46 2.977 15.767 12.382 1.00 75.42 O ATOM 658 CB LEU A 46 3.451 14.466 9.698 1.00 72.34 C ATOM 659 CG LEU A 46 3.422 14.516 8.170 1.00 52.44 C ATOM 660 CD1 LEU A 46 4.826 14.699 7.615 1.00 50.22 C ATOM 661 CD2 LEU A 46 2.784 13.255 7.606 1.00 13.11 C ATOM 0 H LEU A 46 2.064 16.746 9.901 1.00 25.13 H new ATOM 0 HA LEU A 46 1.453 13.865 10.216 1.00 12.40 H new ATOM 0 HB2 LEU A 46 4.167 15.208 10.052 1.00 72.34 H new ATOM 0 HB3 LEU A 46 3.827 13.489 10.003 1.00 72.34 H new ATOM 0 HG LEU A 46 2.819 15.371 7.866 1.00 52.44 H new ATOM 0 HD11 LEU A 46 4.785 14.732 6.526 1.00 50.22 H new ATOM 0 HD12 LEU A 46 5.247 15.631 7.991 1.00 50.22 H new ATOM 0 HD13 LEU A 46 5.453 13.865 7.929 1.00 50.22 H new ATOM 0 HD21 LEU A 46 2.772 13.309 6.517 1.00 13.11 H new ATOM 0 HD22 LEU A 46 3.360 12.384 7.920 1.00 13.11 H new ATOM 0 HD23 LEU A 46 1.762 13.167 7.976 1.00 13.11 H new ATOM 673 N THR A 47 1.804 13.865 12.655 1.00 3.33 N ATOM 674 CA THR A 47 1.944 13.859 14.106 1.00 13.30 C ATOM 675 C THR A 47 2.842 12.717 14.567 1.00 13.03 C ATOM 676 O THR A 47 3.797 12.929 15.314 1.00 63.43 O ATOM 677 CB THR A 47 0.575 13.734 14.801 1.00 0.15 C ATOM 678 OG1 THR A 47 -0.102 12.558 14.343 1.00 3.42 O ATOM 679 CG2 THR A 47 -0.285 14.959 14.528 1.00 3.15 C ATOM 0 H THR A 47 1.272 13.080 12.279 1.00 3.33 H new ATOM 0 HA THR A 47 2.399 14.810 14.384 1.00 13.30 H new ATOM 0 HB THR A 47 0.744 13.660 15.875 1.00 0.15 H new ATOM 0 HG1 THR A 47 -0.794 12.306 14.990 1.00 3.42 H new ATOM 0 HG21 THR A 47 -1.247 14.847 15.029 1.00 3.15 H new ATOM 0 HG22 THR A 47 0.219 15.849 14.905 1.00 3.15 H new ATOM 0 HG23 THR A 47 -0.445 15.059 13.454 1.00 3.15 H new ATOM 687 N SER A 48 2.529 11.506 14.118 1.00 71.13 N ATOM 688 CA SER A 48 3.306 10.329 14.487 1.00 24.13 C ATOM 689 C SER A 48 4.763 10.484 14.061 1.00 51.15 C ATOM 690 O SER A 48 5.650 9.809 14.583 1.00 74.20 O ATOM 691 CB SER A 48 2.707 9.074 13.849 1.00 51.51 C ATOM 692 OG SER A 48 3.587 7.970 13.970 1.00 12.31 O ATOM 0 H SER A 48 1.742 11.314 13.498 1.00 71.13 H new ATOM 0 HA SER A 48 3.271 10.228 15.572 1.00 24.13 H new ATOM 0 HB2 SER A 48 1.756 8.839 14.326 1.00 51.51 H new ATOM 0 HB3 SER A 48 2.498 9.262 12.796 1.00 51.51 H new ATOM 0 HG SER A 48 3.180 7.180 13.556 1.00 12.31 H new ATOM 698 N SER A 49 5.001 11.379 13.107 1.00 65.20 N ATOM 699 CA SER A 49 6.349 11.621 12.606 1.00 3.10 C ATOM 700 C SER A 49 7.267 12.102 13.726 1.00 31.21 C ATOM 701 O SER A 49 8.434 11.717 13.797 1.00 60.53 O ATOM 702 CB SER A 49 6.319 12.654 11.478 1.00 71.13 C ATOM 703 OG SER A 49 6.811 12.103 10.268 1.00 31.34 O ATOM 0 H SER A 49 4.278 11.948 12.666 1.00 65.20 H new ATOM 0 HA SER A 49 6.740 10.680 12.218 1.00 3.10 H new ATOM 0 HB2 SER A 49 5.298 13.008 11.332 1.00 71.13 H new ATOM 0 HB3 SER A 49 6.919 13.520 11.758 1.00 71.13 H new ATOM 0 HG SER A 49 7.751 12.355 10.152 1.00 31.34 H new ATOM 709 N VAL A 50 6.730 12.947 14.601 1.00 62.23 N ATOM 710 CA VAL A 50 7.499 13.480 15.719 1.00 52.52 C ATOM 711 C VAL A 50 7.517 12.504 16.889 1.00 21.41 C ATOM 712 O VAL A 50 6.603 11.695 17.052 1.00 32.23 O ATOM 713 CB VAL A 50 6.929 14.829 16.199 1.00 64.24 C ATOM 714 CG1 VAL A 50 6.696 15.760 15.019 1.00 44.30 C ATOM 715 CG2 VAL A 50 5.643 14.615 16.982 1.00 60.11 C ATOM 0 H VAL A 50 5.766 13.277 14.557 1.00 62.23 H new ATOM 0 HA VAL A 50 8.517 13.630 15.360 1.00 52.52 H new ATOM 0 HB VAL A 50 7.657 15.297 16.862 1.00 64.24 H new ATOM 0 HG11 VAL A 50 6.293 16.708 15.377 1.00 44.30 H new ATOM 0 HG12 VAL A 50 7.640 15.938 14.504 1.00 44.30 H new ATOM 0 HG13 VAL A 50 5.987 15.302 14.329 1.00 44.30 H new ATOM 0 HG21 VAL A 50 5.254 15.578 17.313 1.00 60.11 H new ATOM 0 HG22 VAL A 50 4.906 14.126 16.345 1.00 60.11 H new ATOM 0 HG23 VAL A 50 5.846 13.987 17.850 1.00 60.11 H new ATOM 725 N THR A 51 8.565 12.584 17.704 1.00 72.24 N ATOM 726 CA THR A 51 8.703 11.707 18.859 1.00 24.32 C ATOM 727 C THR A 51 8.169 12.372 20.122 1.00 12.50 C ATOM 728 O THR A 51 8.424 13.551 20.369 1.00 24.02 O ATOM 729 CB THR A 51 10.173 11.305 19.087 1.00 40.31 C ATOM 730 OG1 THR A 51 10.942 11.572 17.909 1.00 51.03 O ATOM 731 CG2 THR A 51 10.282 9.831 19.447 1.00 51.32 C ATOM 0 H THR A 51 9.330 13.248 17.585 1.00 72.24 H new ATOM 0 HA THR A 51 8.117 10.812 18.647 1.00 24.32 H new ATOM 0 HB THR A 51 10.563 11.895 19.917 1.00 40.31 H new ATOM 0 HG1 THR A 51 11.875 11.315 18.062 1.00 51.03 H new ATOM 0 HG21 THR A 51 11.329 9.571 19.603 1.00 51.32 H new ATOM 0 HG22 THR A 51 9.720 9.637 20.360 1.00 51.32 H new ATOM 0 HG23 THR A 51 9.875 9.227 18.636 1.00 51.32 H new ATOM 739 N TRP A 52 7.427 11.611 20.918 1.00 71.23 N ATOM 740 CA TRP A 52 6.857 12.128 22.157 1.00 53.15 C ATOM 741 C TRP A 52 7.590 11.567 23.369 1.00 25.15 C ATOM 742 O TRP A 52 7.842 10.365 23.453 1.00 35.21 O ATOM 743 CB TRP A 52 5.369 11.783 22.240 1.00 11.14 C ATOM 744 CG TRP A 52 4.504 12.679 21.407 1.00 55.11 C ATOM 745 CD1 TRP A 52 4.151 13.969 21.685 1.00 30.35 C ATOM 746 CD2 TRP A 52 3.880 12.351 20.160 1.00 4.03 C ATOM 747 NE1 TRP A 52 3.346 14.462 20.687 1.00 1.20 N ATOM 748 CE2 TRP A 52 3.166 13.490 19.739 1.00 31.33 C ATOM 749 CE3 TRP A 52 3.858 11.207 19.358 1.00 41.33 C ATOM 750 CZ2 TRP A 52 2.438 13.515 18.553 1.00 73.31 C ATOM 751 CZ3 TRP A 52 3.135 11.234 18.181 1.00 73.44 C ATOM 752 CH2 TRP A 52 2.433 12.381 17.787 1.00 62.13 C ATOM 0 H TRP A 52 7.206 10.634 20.728 1.00 71.23 H new ATOM 0 HA TRP A 52 6.972 13.212 22.157 1.00 53.15 H new ATOM 0 HB2 TRP A 52 5.224 10.751 21.921 1.00 11.14 H new ATOM 0 HB3 TRP A 52 5.047 11.843 23.280 1.00 11.14 H new ATOM 0 HD1 TRP A 52 4.460 14.520 22.561 1.00 30.35 H new ATOM 0 HE1 TRP A 52 2.947 15.400 20.657 1.00 1.20 H new ATOM 0 HE3 TRP A 52 4.396 10.318 19.653 1.00 41.33 H new ATOM 0 HZ2 TRP A 52 1.896 14.398 18.248 1.00 73.31 H new ATOM 0 HZ3 TRP A 52 3.110 10.355 17.553 1.00 73.44 H new ATOM 0 HH2 TRP A 52 1.877 12.370 16.861 1.00 62.13 H new ATOM 763 N SER A 53 7.932 12.445 24.308 1.00 71.54 N ATOM 764 CA SER A 53 8.640 12.036 25.515 1.00 44.11 C ATOM 765 C SER A 53 8.092 12.764 26.739 1.00 63.52 C ATOM 766 O SER A 53 7.893 13.978 26.715 1.00 32.02 O ATOM 767 CB SER A 53 10.138 12.313 25.371 1.00 1.31 C ATOM 768 OG SER A 53 10.881 11.107 25.362 1.00 65.11 O ATOM 0 H SER A 53 7.730 13.443 24.255 1.00 71.54 H new ATOM 0 HA SER A 53 8.487 10.965 25.652 1.00 44.11 H new ATOM 0 HB2 SER A 53 10.322 12.864 24.449 1.00 1.31 H new ATOM 0 HB3 SER A 53 10.475 12.945 26.193 1.00 1.31 H new ATOM 0 HG SER A 53 11.835 11.311 25.267 1.00 65.11 H new ATOM 774 N SER A 54 7.851 12.011 27.808 1.00 52.14 N ATOM 775 CA SER A 54 7.322 12.582 29.041 1.00 51.23 C ATOM 776 C SER A 54 8.097 12.071 30.252 1.00 54.52 C ATOM 777 O SER A 54 8.535 10.922 30.282 1.00 31.45 O ATOM 778 CB SER A 54 5.838 12.242 29.190 1.00 72.11 C ATOM 779 OG SER A 54 5.254 11.945 27.933 1.00 12.42 O ATOM 0 H SER A 54 8.014 11.005 27.845 1.00 52.14 H new ATOM 0 HA SER A 54 7.435 13.665 28.989 1.00 51.23 H new ATOM 0 HB2 SER A 54 5.722 11.389 29.859 1.00 72.11 H new ATOM 0 HB3 SER A 54 5.314 13.080 29.649 1.00 72.11 H new ATOM 0 HG SER A 54 4.430 12.465 27.824 1.00 12.42 H new ATOM 785 N SER A 55 8.261 12.936 31.248 1.00 23.54 N ATOM 786 CA SER A 55 8.986 12.575 32.461 1.00 22.41 C ATOM 787 C SER A 55 8.307 11.409 33.174 1.00 55.42 C ATOM 788 O SER A 55 8.946 10.660 33.910 1.00 23.13 O ATOM 789 CB SER A 55 9.080 13.778 33.402 1.00 62.45 C ATOM 790 OG SER A 55 10.166 14.617 33.049 1.00 23.11 O ATOM 0 H SER A 55 7.902 13.891 31.239 1.00 23.54 H new ATOM 0 HA SER A 55 9.992 12.267 32.175 1.00 22.41 H new ATOM 0 HB2 SER A 55 8.150 14.346 33.365 1.00 62.45 H new ATOM 0 HB3 SER A 55 9.202 13.432 34.428 1.00 62.45 H new ATOM 0 HG SER A 55 10.204 15.379 33.664 1.00 23.11 H new ATOM 796 N ASN A 56 7.005 11.264 32.948 1.00 13.45 N ATOM 797 CA ASN A 56 6.236 10.191 33.569 1.00 5.31 C ATOM 798 C ASN A 56 5.810 9.158 32.531 1.00 34.54 C ATOM 799 O ASN A 56 5.237 9.502 31.498 1.00 33.21 O ATOM 800 CB ASN A 56 5.004 10.760 34.275 1.00 3.43 C ATOM 801 CG ASN A 56 5.356 11.871 35.246 1.00 31.14 C ATOM 802 OD1 ASN A 56 6.151 11.677 36.166 1.00 13.45 O ATOM 803 ND2 ASN A 56 4.763 13.042 35.045 1.00 3.14 N ATOM 0 H ASN A 56 6.461 11.876 32.340 1.00 13.45 H new ATOM 0 HA ASN A 56 6.873 9.700 34.305 1.00 5.31 H new ATOM 0 HB2 ASN A 56 4.305 11.140 33.530 1.00 3.43 H new ATOM 0 HB3 ASN A 56 4.494 9.960 34.812 1.00 3.43 H new ATOM 0 HD21 ASN A 56 4.960 13.827 35.666 1.00 3.14 H new ATOM 0 HD22 ASN A 56 4.111 13.157 34.269 1.00 3.14 H new ATOM 810 N GLN A 57 6.092 7.890 32.815 1.00 4.34 N ATOM 811 CA GLN A 57 5.738 6.807 31.907 1.00 73.35 C ATOM 812 C GLN A 57 4.230 6.577 31.896 1.00 21.51 C ATOM 813 O GLN A 57 3.678 6.060 30.925 1.00 52.02 O ATOM 814 CB GLN A 57 6.459 5.519 32.308 1.00 44.11 C ATOM 815 CG GLN A 57 7.662 5.198 31.435 1.00 54.02 C ATOM 816 CD GLN A 57 7.408 4.034 30.498 1.00 71.34 C ATOM 817 OE1 GLN A 57 7.975 2.953 30.664 1.00 52.34 O ATOM 818 NE2 GLN A 57 6.552 4.248 29.505 1.00 31.12 N ATOM 0 H GLN A 57 6.565 7.588 33.667 1.00 4.34 H new ATOM 0 HA GLN A 57 6.052 7.092 30.903 1.00 73.35 H new ATOM 0 HB2 GLN A 57 6.785 5.603 33.345 1.00 44.11 H new ATOM 0 HB3 GLN A 57 5.755 4.688 32.261 1.00 44.11 H new ATOM 0 HG2 GLN A 57 7.928 6.079 30.851 1.00 54.02 H new ATOM 0 HG3 GLN A 57 8.517 4.968 32.071 1.00 54.02 H new ATOM 0 HE21 GLN A 57 6.105 5.159 29.405 1.00 31.12 H new ATOM 0 HE22 GLN A 57 6.342 3.501 28.843 1.00 31.12 H new ATOM 827 N SER A 58 3.570 6.963 32.983 1.00 31.12 N ATOM 828 CA SER A 58 2.126 6.795 33.101 1.00 62.31 C ATOM 829 C SER A 58 1.388 7.855 32.290 1.00 12.52 C ATOM 830 O SER A 58 0.311 7.601 31.752 1.00 51.24 O ATOM 831 CB SER A 58 1.701 6.870 34.568 1.00 14.25 C ATOM 832 OG SER A 58 1.151 5.639 35.004 1.00 31.11 O ATOM 0 H SER A 58 4.012 7.394 33.795 1.00 31.12 H new ATOM 0 HA SER A 58 1.865 5.814 32.705 1.00 62.31 H new ATOM 0 HB2 SER A 58 2.561 7.127 35.186 1.00 14.25 H new ATOM 0 HB3 SER A 58 0.967 7.666 34.697 1.00 14.25 H new ATOM 0 HG SER A 58 0.889 5.713 35.945 1.00 31.11 H new ATOM 838 N GLN A 59 1.976 9.045 32.209 1.00 32.31 N ATOM 839 CA GLN A 59 1.374 10.145 31.465 1.00 33.21 C ATOM 840 C GLN A 59 1.967 10.243 30.064 1.00 45.53 C ATOM 841 O GLN A 59 1.579 11.104 29.274 1.00 65.30 O ATOM 842 CB GLN A 59 1.576 11.464 32.212 1.00 42.43 C ATOM 843 CG GLN A 59 1.624 11.307 33.723 1.00 44.10 C ATOM 844 CD GLN A 59 0.346 10.723 34.290 1.00 32.40 C ATOM 845 OE1 GLN A 59 -0.641 10.549 33.575 1.00 75.30 O ATOM 846 NE2 GLN A 59 0.357 10.415 35.582 1.00 50.32 N ATOM 0 H GLN A 59 2.868 9.271 32.649 1.00 32.31 H new ATOM 0 HA GLN A 59 0.306 9.948 31.374 1.00 33.21 H new ATOM 0 HB2 GLN A 59 2.504 11.925 31.873 1.00 42.43 H new ATOM 0 HB3 GLN A 59 0.767 12.147 31.952 1.00 42.43 H new ATOM 0 HG2 GLN A 59 2.463 10.665 33.991 1.00 44.10 H new ATOM 0 HG3 GLN A 59 1.809 12.279 34.180 1.00 44.10 H new ATOM 0 HE21 GLN A 59 1.197 10.576 36.138 1.00 50.32 H new ATOM 0 HE22 GLN A 59 -0.475 10.018 36.019 1.00 50.32 H new ATOM 855 N ALA A 60 2.911 9.357 29.762 1.00 12.24 N ATOM 856 CA ALA A 60 3.557 9.344 28.456 1.00 71.42 C ATOM 857 C ALA A 60 2.770 8.494 27.463 1.00 2.42 C ATOM 858 O ALA A 60 3.229 7.435 27.036 1.00 21.31 O ATOM 859 CB ALA A 60 4.984 8.830 28.578 1.00 11.10 C ATOM 0 H ALA A 60 3.245 8.639 30.405 1.00 12.24 H new ATOM 0 HA ALA A 60 3.582 10.367 28.080 1.00 71.42 H new ATOM 0 HB1 ALA A 60 5.454 8.826 27.595 1.00 11.10 H new ATOM 0 HB2 ALA A 60 5.548 9.479 29.248 1.00 11.10 H new ATOM 0 HB3 ALA A 60 4.973 7.817 28.979 1.00 11.10 H new ATOM 865 N LYS A 61 1.582 8.966 27.100 1.00 63.42 N ATOM 866 CA LYS A 61 0.731 8.250 26.157 1.00 52.43 C ATOM 867 C LYS A 61 0.295 9.164 25.016 1.00 52.41 C ATOM 868 O LYS A 61 0.008 10.343 25.226 1.00 31.14 O ATOM 869 CB LYS A 61 -0.499 7.689 26.873 1.00 35.10 C ATOM 870 CG LYS A 61 -0.618 6.177 26.784 1.00 2.34 C ATOM 871 CD LYS A 61 0.069 5.495 27.955 1.00 20.44 C ATOM 872 CE LYS A 61 1.274 4.686 27.500 1.00 4.23 C ATOM 873 NZ LYS A 61 0.900 3.293 27.131 1.00 44.05 N ATOM 0 H LYS A 61 1.187 9.841 27.444 1.00 63.42 H new ATOM 0 HA LYS A 61 1.308 7.425 25.739 1.00 52.43 H new ATOM 0 HB2 LYS A 61 -0.463 7.981 27.923 1.00 35.10 H new ATOM 0 HB3 LYS A 61 -1.395 8.141 26.447 1.00 35.10 H new ATOM 0 HG2 LYS A 61 -1.671 5.894 26.763 1.00 2.34 H new ATOM 0 HG3 LYS A 61 -0.176 5.831 25.850 1.00 2.34 H new ATOM 0 HD2 LYS A 61 0.386 6.245 28.680 1.00 20.44 H new ATOM 0 HD3 LYS A 61 -0.639 4.840 28.463 1.00 20.44 H new ATOM 0 HE2 LYS A 61 1.738 5.176 26.644 1.00 4.23 H new ATOM 0 HE3 LYS A 61 2.018 4.663 28.296 1.00 4.23 H new ATOM 0 HZ1 LYS A 61 1.749 2.775 26.827 1.00 44.05 H new ATOM 0 HZ2 LYS A 61 0.480 2.817 27.955 1.00 44.05 H new ATOM 0 HZ3 LYS A 61 0.209 3.313 26.354 1.00 44.05 H new ATOM 887 N VAL A 62 0.246 8.613 23.807 1.00 30.04 N ATOM 888 CA VAL A 62 -0.158 9.378 22.634 1.00 43.03 C ATOM 889 C VAL A 62 -0.850 8.487 21.608 1.00 10.24 C ATOM 890 O VAL A 62 -0.372 7.397 21.294 1.00 2.24 O ATOM 891 CB VAL A 62 1.050 10.065 21.969 1.00 70.33 C ATOM 892 CG1 VAL A 62 2.182 9.070 21.759 1.00 15.04 C ATOM 893 CG2 VAL A 62 0.640 10.703 20.650 1.00 12.44 C ATOM 0 H VAL A 62 0.481 7.639 23.615 1.00 30.04 H new ATOM 0 HA VAL A 62 -0.856 10.141 22.979 1.00 43.03 H new ATOM 0 HB VAL A 62 1.408 10.852 22.632 1.00 70.33 H new ATOM 0 HG11 VAL A 62 3.026 9.574 21.288 1.00 15.04 H new ATOM 0 HG12 VAL A 62 2.493 8.664 22.722 1.00 15.04 H new ATOM 0 HG13 VAL A 62 1.839 8.259 21.116 1.00 15.04 H new ATOM 0 HG21 VAL A 62 1.505 11.184 20.194 1.00 12.44 H new ATOM 0 HG22 VAL A 62 0.255 9.935 19.979 1.00 12.44 H new ATOM 0 HG23 VAL A 62 -0.135 11.448 20.831 1.00 12.44 H new ATOM 903 N SER A 63 -1.979 8.959 21.089 1.00 31.33 N ATOM 904 CA SER A 63 -2.740 8.203 20.101 1.00 51.30 C ATOM 905 C SER A 63 -2.219 8.473 18.692 1.00 15.15 C ATOM 906 O SER A 63 -2.921 9.044 17.859 1.00 42.23 O ATOM 907 CB SER A 63 -4.225 8.563 20.186 1.00 63.23 C ATOM 908 OG SER A 63 -5.026 7.572 19.565 1.00 45.22 O ATOM 0 H SER A 63 -2.387 9.861 21.336 1.00 31.33 H new ATOM 0 HA SER A 63 -2.618 7.142 20.318 1.00 51.30 H new ATOM 0 HB2 SER A 63 -4.517 8.670 21.231 1.00 63.23 H new ATOM 0 HB3 SER A 63 -4.397 9.527 19.707 1.00 63.23 H new ATOM 0 HG SER A 63 -5.970 7.824 19.634 1.00 45.22 H new ATOM 914 N ASN A 64 -0.983 8.057 18.436 1.00 54.44 N ATOM 915 CA ASN A 64 -0.367 8.254 17.129 1.00 51.15 C ATOM 916 C ASN A 64 -0.643 7.065 16.213 1.00 45.43 C ATOM 917 O ASN A 64 0.177 6.155 16.097 1.00 21.34 O ATOM 918 CB ASN A 64 1.142 8.458 17.279 1.00 71.24 C ATOM 919 CG ASN A 64 1.767 7.461 18.235 1.00 4.45 C ATOM 920 OD1 ASN A 64 1.235 6.372 18.451 1.00 41.41 O ATOM 921 ND2 ASN A 64 2.904 7.831 18.815 1.00 15.12 N ATOM 0 H ASN A 64 -0.389 7.582 19.116 1.00 54.44 H new ATOM 0 HA ASN A 64 -0.804 9.145 16.679 1.00 51.15 H new ATOM 0 HB2 ASN A 64 1.617 8.368 16.302 1.00 71.24 H new ATOM 0 HB3 ASN A 64 1.336 9.470 17.635 1.00 71.24 H new ATOM 0 HD21 ASN A 64 3.371 7.203 19.469 1.00 15.12 H new ATOM 0 HD22 ASN A 64 3.310 8.743 18.607 1.00 15.12 H new ATOM 928 N ALA A 65 -1.802 7.082 15.563 1.00 2.11 N ATOM 929 CA ALA A 65 -2.184 6.008 14.656 1.00 74.45 C ATOM 930 C ALA A 65 -2.520 6.552 13.271 1.00 33.32 C ATOM 931 O ALA A 65 -2.166 5.953 12.256 1.00 43.23 O ATOM 932 CB ALA A 65 -3.366 5.234 15.222 1.00 50.12 C ATOM 0 H ALA A 65 -2.492 7.828 15.648 1.00 2.11 H new ATOM 0 HA ALA A 65 -1.335 5.332 14.556 1.00 74.45 H new ATOM 0 HB1 ALA A 65 -3.641 4.435 14.534 1.00 50.12 H new ATOM 0 HB2 ALA A 65 -3.092 4.805 16.186 1.00 50.12 H new ATOM 0 HB3 ALA A 65 -4.213 5.907 15.352 1.00 50.12 H new ATOM 938 N SER A 66 -3.207 7.689 13.238 1.00 2.42 N ATOM 939 CA SER A 66 -3.595 8.312 11.978 1.00 63.22 C ATOM 940 C SER A 66 -2.497 9.243 11.471 1.00 13.05 C ATOM 941 O SER A 66 -2.540 9.708 10.333 1.00 13.00 O ATOM 942 CB SER A 66 -4.901 9.090 12.150 1.00 44.15 C ATOM 943 OG SER A 66 -5.899 8.285 12.752 1.00 24.25 O ATOM 0 H SER A 66 -3.507 8.198 14.070 1.00 2.42 H new ATOM 0 HA SER A 66 -3.746 7.522 11.242 1.00 63.22 H new ATOM 0 HB2 SER A 66 -4.723 9.974 12.763 1.00 44.15 H new ATOM 0 HB3 SER A 66 -5.249 9.441 11.179 1.00 44.15 H new ATOM 0 HG SER A 66 -6.723 8.806 12.852 1.00 24.25 H new ATOM 949 N GLU A 67 -1.515 9.510 12.327 1.00 52.13 N ATOM 950 CA GLU A 67 -0.407 10.386 11.967 1.00 42.44 C ATOM 951 C GLU A 67 -0.891 11.819 11.760 1.00 24.04 C ATOM 952 O GLU A 67 -0.169 12.660 11.223 1.00 62.42 O ATOM 953 CB GLU A 67 0.280 9.881 10.696 1.00 22.23 C ATOM 954 CG GLU A 67 1.671 10.455 10.487 1.00 24.10 C ATOM 955 CD GLU A 67 2.604 9.485 9.787 1.00 15.11 C ATOM 956 OE1 GLU A 67 2.319 9.122 8.627 1.00 54.35 O ATOM 957 OE2 GLU A 67 3.617 9.089 10.399 1.00 21.24 O ATOM 0 H GLU A 67 -1.465 9.132 13.273 1.00 52.13 H new ATOM 0 HA GLU A 67 0.310 10.377 12.788 1.00 42.44 H new ATOM 0 HB2 GLU A 67 0.347 8.794 10.737 1.00 22.23 H new ATOM 0 HB3 GLU A 67 -0.340 10.130 9.835 1.00 22.23 H new ATOM 0 HG2 GLU A 67 1.598 11.370 9.900 1.00 24.10 H new ATOM 0 HG3 GLU A 67 2.096 10.729 11.453 1.00 24.10 H new ATOM 964 N THR A 68 -2.119 12.091 12.191 1.00 24.55 N ATOM 965 CA THR A 68 -2.701 13.419 12.053 1.00 3.53 C ATOM 966 C THR A 68 -3.304 13.895 13.370 1.00 51.00 C ATOM 967 O THR A 68 -3.873 14.984 13.447 1.00 52.11 O ATOM 968 CB THR A 68 -3.789 13.446 10.964 1.00 72.42 C ATOM 969 OG1 THR A 68 -4.978 12.809 11.444 1.00 35.12 O ATOM 970 CG2 THR A 68 -3.308 12.746 9.701 1.00 11.34 C ATOM 0 H THR A 68 -2.730 11.408 12.639 1.00 24.55 H new ATOM 0 HA THR A 68 -1.892 14.089 11.764 1.00 3.53 H new ATOM 0 HB THR A 68 -4.006 14.487 10.724 1.00 72.42 H new ATOM 0 HG1 THR A 68 -5.666 12.832 10.746 1.00 35.12 H new ATOM 0 HG21 THR A 68 -4.093 12.778 8.946 1.00 11.34 H new ATOM 0 HG22 THR A 68 -2.419 13.250 9.322 1.00 11.34 H new ATOM 0 HG23 THR A 68 -3.066 11.708 9.930 1.00 11.34 H new ATOM 978 N LYS A 69 -3.176 13.072 14.405 1.00 2.34 N ATOM 979 CA LYS A 69 -3.707 13.409 15.721 1.00 4.01 C ATOM 980 C LYS A 69 -2.596 13.891 16.649 1.00 62.50 C ATOM 981 O LYS A 69 -2.358 15.091 16.777 1.00 24.43 O ATOM 982 CB LYS A 69 -4.409 12.197 16.336 1.00 74.52 C ATOM 983 CG LYS A 69 -5.740 11.868 15.681 1.00 63.34 C ATOM 984 CD LYS A 69 -6.755 11.375 16.698 1.00 74.24 C ATOM 985 CE LYS A 69 -7.921 10.668 16.023 1.00 32.23 C ATOM 986 NZ LYS A 69 -9.231 11.098 16.586 1.00 52.44 N ATOM 0 H LYS A 69 -2.709 12.166 14.358 1.00 2.34 H new ATOM 0 HA LYS A 69 -4.429 14.216 15.598 1.00 4.01 H new ATOM 0 HB2 LYS A 69 -3.752 11.330 16.261 1.00 74.52 H new ATOM 0 HB3 LYS A 69 -4.572 12.382 17.398 1.00 74.52 H new ATOM 0 HG2 LYS A 69 -6.128 12.754 15.178 1.00 63.34 H new ATOM 0 HG3 LYS A 69 -5.591 11.107 14.915 1.00 63.34 H new ATOM 0 HD2 LYS A 69 -6.270 10.694 17.397 1.00 74.24 H new ATOM 0 HD3 LYS A 69 -7.127 12.218 17.281 1.00 74.24 H new ATOM 0 HE2 LYS A 69 -7.900 10.874 14.953 1.00 32.23 H new ATOM 0 HE3 LYS A 69 -7.811 9.590 16.142 1.00 32.23 H new ATOM 0 HZ1 LYS A 69 -10.000 10.594 16.100 1.00 52.44 H new ATOM 0 HZ2 LYS A 69 -9.261 10.878 17.602 1.00 52.44 H new ATOM 0 HZ3 LYS A 69 -9.348 12.122 16.450 1.00 52.44 H new ATOM 1000 N GLY A 70 -1.918 12.946 17.293 1.00 23.54 N ATOM 1001 CA GLY A 70 -0.839 13.294 18.200 1.00 73.20 C ATOM 1002 C GLY A 70 -1.327 13.538 19.614 1.00 21.03 C ATOM 1003 O GLY A 70 -0.528 13.757 20.526 1.00 65.15 O ATOM 0 H GLY A 70 -2.096 11.946 17.203 1.00 23.54 H new ATOM 0 HA2 GLY A 70 -0.101 12.492 18.207 1.00 73.20 H new ATOM 0 HA3 GLY A 70 -0.334 14.188 17.834 1.00 73.20 H new ATOM 1007 N LEU A 71 -2.642 13.502 19.799 1.00 1.53 N ATOM 1008 CA LEU A 71 -3.236 13.723 21.113 1.00 2.43 C ATOM 1009 C LEU A 71 -2.462 12.975 22.194 1.00 60.34 C ATOM 1010 O LEU A 71 -1.949 11.880 21.959 1.00 2.50 O ATOM 1011 CB LEU A 71 -4.699 13.276 21.115 1.00 3.32 C ATOM 1012 CG LEU A 71 -4.948 11.795 20.831 1.00 71.32 C ATOM 1013 CD1 LEU A 71 -5.066 11.014 22.131 1.00 45.13 C ATOM 1014 CD2 LEU A 71 -6.201 11.617 19.985 1.00 3.51 C ATOM 0 H LEU A 71 -3.317 13.322 19.056 1.00 1.53 H new ATOM 0 HA LEU A 71 -3.188 14.790 21.331 1.00 2.43 H new ATOM 0 HB2 LEU A 71 -5.130 13.517 22.087 1.00 3.32 H new ATOM 0 HB3 LEU A 71 -5.239 13.864 20.372 1.00 3.32 H new ATOM 0 HG LEU A 71 -4.097 11.405 20.272 1.00 71.32 H new ATOM 0 HD11 LEU A 71 -5.243 9.962 21.909 1.00 45.13 H new ATOM 0 HD12 LEU A 71 -4.142 11.114 22.701 1.00 45.13 H new ATOM 0 HD13 LEU A 71 -5.898 11.406 22.717 1.00 45.13 H new ATOM 0 HD21 LEU A 71 -6.363 10.556 19.793 1.00 3.51 H new ATOM 0 HD22 LEU A 71 -7.060 12.024 20.518 1.00 3.51 H new ATOM 0 HD23 LEU A 71 -6.078 12.143 19.038 1.00 3.51 H new ATOM 1026 N VAL A 72 -2.384 13.571 23.379 1.00 23.22 N ATOM 1027 CA VAL A 72 -1.676 12.959 24.497 1.00 4.12 C ATOM 1028 C VAL A 72 -2.630 12.635 25.641 1.00 70.21 C ATOM 1029 O VAL A 72 -3.409 13.484 26.075 1.00 3.42 O ATOM 1030 CB VAL A 72 -0.556 13.877 25.022 1.00 1.23 C ATOM 1031 CG1 VAL A 72 0.554 14.009 23.991 1.00 42.32 C ATOM 1032 CG2 VAL A 72 -1.116 15.242 25.392 1.00 13.23 C ATOM 0 H VAL A 72 -2.802 14.477 23.590 1.00 23.22 H new ATOM 0 HA VAL A 72 -1.234 12.035 24.124 1.00 4.12 H new ATOM 0 HB VAL A 72 -0.133 13.427 25.920 1.00 1.23 H new ATOM 0 HG11 VAL A 72 1.336 14.661 24.380 1.00 42.32 H new ATOM 0 HG12 VAL A 72 0.973 13.025 23.780 1.00 42.32 H new ATOM 0 HG13 VAL A 72 0.149 14.435 23.073 1.00 42.32 H new ATOM 0 HG21 VAL A 72 -0.311 15.878 25.761 1.00 13.23 H new ATOM 0 HG22 VAL A 72 -1.567 15.701 24.512 1.00 13.23 H new ATOM 0 HG23 VAL A 72 -1.872 15.127 26.169 1.00 13.23 H new ATOM 1042 N THR A 73 -2.565 11.399 26.127 1.00 62.14 N ATOM 1043 CA THR A 73 -3.423 10.961 27.220 1.00 53.01 C ATOM 1044 C THR A 73 -2.601 10.575 28.444 1.00 60.21 C ATOM 1045 O THR A 73 -1.454 10.146 28.323 1.00 32.14 O ATOM 1046 CB THR A 73 -4.296 9.762 26.803 1.00 15.51 C ATOM 1047 OG1 THR A 73 -4.676 9.887 25.428 1.00 1.50 O ATOM 1048 CG2 THR A 73 -5.542 9.672 27.672 1.00 40.21 C ATOM 0 H THR A 73 -1.926 10.684 25.780 1.00 62.14 H new ATOM 0 HA THR A 73 -4.069 11.802 27.471 1.00 53.01 H new ATOM 0 HB THR A 73 -3.712 8.852 26.937 1.00 15.51 H new ATOM 0 HG1 THR A 73 -5.105 9.058 25.131 1.00 1.50 H new ATOM 0 HG21 THR A 73 -6.143 8.818 27.359 1.00 40.21 H new ATOM 0 HG22 THR A 73 -5.250 9.548 28.715 1.00 40.21 H new ATOM 0 HG23 THR A 73 -6.127 10.586 27.565 1.00 40.21 H new ATOM 1056 N GLY A 74 -3.195 10.729 29.623 1.00 12.34 N ATOM 1057 CA GLY A 74 -2.502 10.391 30.853 1.00 54.20 C ATOM 1058 C GLY A 74 -3.217 9.313 31.643 1.00 25.32 C ATOM 1059 O GLY A 74 -4.399 9.052 31.422 1.00 55.24 O ATOM 0 H GLY A 74 -4.144 11.082 29.749 1.00 12.34 H new ATOM 0 HA2 GLY A 74 -1.492 10.055 30.617 1.00 54.20 H new ATOM 0 HA3 GLY A 74 -2.405 11.285 31.469 1.00 54.20 H new ATOM 1063 N ILE A 75 -2.497 8.683 32.566 1.00 51.11 N ATOM 1064 CA ILE A 75 -3.070 7.627 33.391 1.00 63.42 C ATOM 1065 C ILE A 75 -3.468 8.156 34.764 1.00 3.13 C ATOM 1066 O ILE A 75 -4.555 7.866 35.261 1.00 34.24 O ATOM 1067 CB ILE A 75 -2.085 6.456 33.570 1.00 40.11 C ATOM 1068 CG1 ILE A 75 -1.888 5.719 32.244 1.00 75.23 C ATOM 1069 CG2 ILE A 75 -2.586 5.502 34.643 1.00 33.35 C ATOM 1070 CD1 ILE A 75 -3.121 4.976 31.777 1.00 63.01 C ATOM 0 H ILE A 75 -1.517 8.886 32.761 1.00 51.11 H new ATOM 0 HA ILE A 75 -3.959 7.268 32.872 1.00 63.42 H new ATOM 0 HB ILE A 75 -1.122 6.856 33.888 1.00 40.11 H new ATOM 0 HG12 ILE A 75 -1.595 6.437 31.478 1.00 75.23 H new ATOM 0 HG13 ILE A 75 -1.065 5.012 32.349 1.00 75.23 H new ATOM 0 HG21 ILE A 75 -1.879 4.680 34.758 1.00 33.35 H new ATOM 0 HG22 ILE A 75 -2.679 6.035 35.589 1.00 33.35 H new ATOM 0 HG23 ILE A 75 -3.559 5.106 34.352 1.00 33.35 H new ATOM 0 HD11 ILE A 75 -2.909 4.477 30.831 1.00 63.01 H new ATOM 0 HD12 ILE A 75 -3.403 4.234 32.524 1.00 63.01 H new ATOM 0 HD13 ILE A 75 -3.940 5.681 31.639 1.00 63.01 H new ATOM 1082 N ALA A 76 -2.580 8.936 35.372 1.00 44.23 N ATOM 1083 CA ALA A 76 -2.840 9.510 36.686 1.00 24.02 C ATOM 1084 C ALA A 76 -2.579 11.012 36.691 1.00 43.43 C ATOM 1085 O ALA A 76 -2.129 11.577 35.693 1.00 32.05 O ATOM 1086 CB ALA A 76 -1.986 8.821 37.741 1.00 54.01 C ATOM 0 H ALA A 76 -1.674 9.185 34.975 1.00 44.23 H new ATOM 0 HA ALA A 76 -3.892 9.350 36.923 1.00 24.02 H new ATOM 0 HB1 ALA A 76 -2.190 9.260 38.718 1.00 54.01 H new ATOM 0 HB2 ALA A 76 -2.224 7.757 37.764 1.00 54.01 H new ATOM 0 HB3 ALA A 76 -0.932 8.952 37.498 1.00 54.01 H new ATOM 1092 N SER A 77 -2.864 11.655 37.819 1.00 72.41 N ATOM 1093 CA SER A 77 -2.665 13.093 37.951 1.00 25.03 C ATOM 1094 C SER A 77 -1.179 13.429 38.039 1.00 0.44 C ATOM 1095 O SER A 77 -0.323 12.578 37.802 1.00 51.33 O ATOM 1096 CB SER A 77 -3.392 13.618 39.190 1.00 13.42 C ATOM 1097 OG SER A 77 -2.531 13.645 40.315 1.00 62.50 O ATOM 0 H SER A 77 -3.234 11.202 38.655 1.00 72.41 H new ATOM 0 HA SER A 77 -3.078 13.575 37.065 1.00 25.03 H new ATOM 0 HB2 SER A 77 -3.771 14.621 38.995 1.00 13.42 H new ATOM 0 HB3 SER A 77 -4.255 12.987 39.404 1.00 13.42 H new ATOM 0 HG SER A 77 -3.020 13.986 41.093 1.00 62.50 H new ATOM 1103 N GLY A 78 -0.881 14.679 38.383 1.00 22.21 N ATOM 1104 CA GLY A 78 0.501 15.107 38.497 1.00 41.24 C ATOM 1105 C GLY A 78 0.852 16.201 37.507 1.00 22.34 C ATOM 1106 O GLY A 78 -0.023 16.927 37.038 1.00 31.32 O ATOM 0 H GLY A 78 -1.572 15.402 38.585 1.00 22.21 H new ATOM 0 HA2 GLY A 78 0.685 15.465 39.510 1.00 41.24 H new ATOM 0 HA3 GLY A 78 1.158 14.252 38.337 1.00 41.24 H new ATOM 1110 N ASN A 79 2.138 16.320 37.191 1.00 74.21 N ATOM 1111 CA ASN A 79 2.603 17.335 36.253 1.00 72.35 C ATOM 1112 C ASN A 79 3.136 16.692 34.976 1.00 72.42 C ATOM 1113 O ASN A 79 4.342 16.631 34.739 1.00 64.13 O ATOM 1114 CB ASN A 79 3.692 18.194 36.897 1.00 2.02 C ATOM 1115 CG ASN A 79 4.820 17.361 37.475 1.00 33.52 C ATOM 1116 OD1 ASN A 79 4.624 16.610 38.431 1.00 25.21 O ATOM 1117 ND2 ASN A 79 6.008 17.490 36.896 1.00 73.31 N ATOM 0 H ASN A 79 2.876 15.727 37.571 1.00 74.21 H new ATOM 0 HA ASN A 79 1.755 17.969 35.993 1.00 72.35 H new ATOM 0 HB2 ASN A 79 4.096 18.881 36.154 1.00 2.02 H new ATOM 0 HB3 ASN A 79 3.251 18.802 37.687 1.00 2.02 H new ATOM 0 HD21 ASN A 79 6.804 16.954 37.241 1.00 73.31 H new ATOM 0 HD22 ASN A 79 6.124 18.125 36.106 1.00 73.31 H new ATOM 1124 N PRO A 80 2.216 16.200 34.132 1.00 11.14 N ATOM 1125 CA PRO A 80 2.569 15.554 32.865 1.00 61.11 C ATOM 1126 C PRO A 80 3.119 16.543 31.843 1.00 5.24 C ATOM 1127 O PRO A 80 2.498 17.568 31.558 1.00 64.41 O ATOM 1128 CB PRO A 80 1.239 14.970 32.381 1.00 1.45 C ATOM 1129 CG PRO A 80 0.197 15.823 33.020 1.00 62.23 C ATOM 1130 CD PRO A 80 0.760 16.238 34.351 1.00 62.12 C ATOM 0 HA PRO A 80 3.356 14.810 32.993 1.00 61.11 H new ATOM 0 HB2 PRO A 80 1.165 15.002 31.294 1.00 1.45 H new ATOM 0 HB3 PRO A 80 1.133 13.926 32.678 1.00 1.45 H new ATOM 0 HG2 PRO A 80 -0.027 16.693 32.403 1.00 62.23 H new ATOM 0 HG3 PRO A 80 -0.735 15.272 33.145 1.00 62.23 H new ATOM 0 HD2 PRO A 80 0.422 17.234 34.637 1.00 62.12 H new ATOM 0 HD3 PRO A 80 0.455 15.558 35.146 1.00 62.12 H new ATOM 1138 N THR A 81 4.289 16.231 31.294 1.00 22.31 N ATOM 1139 CA THR A 81 4.924 17.093 30.305 1.00 75.53 C ATOM 1140 C THR A 81 5.067 16.379 28.965 1.00 31.03 C ATOM 1141 O THR A 81 5.654 15.300 28.886 1.00 25.33 O ATOM 1142 CB THR A 81 6.314 17.560 30.776 1.00 55.23 C ATOM 1143 OG1 THR A 81 6.669 16.893 31.992 1.00 14.32 O ATOM 1144 CG2 THR A 81 6.333 19.066 30.992 1.00 22.25 C ATOM 0 H THR A 81 4.816 15.387 31.518 1.00 22.31 H new ATOM 0 HA THR A 81 4.279 17.963 30.183 1.00 75.53 H new ATOM 0 HB THR A 81 7.039 17.311 30.002 1.00 55.23 H new ATOM 0 HG1 THR A 81 7.555 17.194 32.284 1.00 14.32 H new ATOM 0 HG21 THR A 81 7.325 19.373 31.324 1.00 22.25 H new ATOM 0 HG22 THR A 81 6.091 19.571 30.057 1.00 22.25 H new ATOM 0 HG23 THR A 81 5.597 19.334 31.750 1.00 22.25 H new ATOM 1152 N ILE A 82 4.528 16.988 27.915 1.00 54.31 N ATOM 1153 CA ILE A 82 4.598 16.411 26.578 1.00 13.14 C ATOM 1154 C ILE A 82 5.645 17.121 25.727 1.00 11.12 C ATOM 1155 O ILE A 82 5.440 18.254 25.290 1.00 32.10 O ATOM 1156 CB ILE A 82 3.236 16.482 25.862 1.00 1.32 C ATOM 1157 CG1 ILE A 82 2.152 15.817 26.713 1.00 64.20 C ATOM 1158 CG2 ILE A 82 3.322 15.823 24.494 1.00 42.02 C ATOM 1159 CD1 ILE A 82 1.285 16.802 27.465 1.00 30.42 C ATOM 0 H ILE A 82 4.038 17.881 27.964 1.00 54.31 H new ATOM 0 HA ILE A 82 4.881 15.365 26.700 1.00 13.14 H new ATOM 0 HB ILE A 82 2.970 17.530 25.723 1.00 1.32 H new ATOM 0 HG12 ILE A 82 1.519 15.207 26.069 1.00 64.20 H new ATOM 0 HG13 ILE A 82 2.625 15.143 27.427 1.00 64.20 H new ATOM 0 HG21 ILE A 82 2.352 15.881 24.000 1.00 42.02 H new ATOM 0 HG22 ILE A 82 4.068 16.337 23.889 1.00 42.02 H new ATOM 0 HG23 ILE A 82 3.607 14.778 24.611 1.00 42.02 H new ATOM 0 HD11 ILE A 82 0.539 16.260 28.047 1.00 30.42 H new ATOM 0 HD12 ILE A 82 1.906 17.396 28.135 1.00 30.42 H new ATOM 0 HD13 ILE A 82 0.784 17.461 26.756 1.00 30.42 H new ATOM 1171 N ILE A 83 6.766 16.447 25.495 1.00 42.25 N ATOM 1172 CA ILE A 83 7.844 17.013 24.693 1.00 63.41 C ATOM 1173 C ILE A 83 7.888 16.380 23.306 1.00 1.01 C ATOM 1174 O ILE A 83 7.978 15.160 23.172 1.00 43.12 O ATOM 1175 CB ILE A 83 9.212 16.823 25.375 1.00 60.22 C ATOM 1176 CG1 ILE A 83 9.163 17.335 26.816 1.00 64.12 C ATOM 1177 CG2 ILE A 83 10.300 17.539 24.589 1.00 52.33 C ATOM 1178 CD1 ILE A 83 8.833 18.807 26.923 1.00 3.20 C ATOM 0 H ILE A 83 6.952 15.509 25.851 1.00 42.25 H new ATOM 0 HA ILE A 83 7.640 18.079 24.597 1.00 63.41 H new ATOM 0 HB ILE A 83 9.447 15.759 25.395 1.00 60.22 H new ATOM 0 HG12 ILE A 83 8.420 16.763 27.371 1.00 64.12 H new ATOM 0 HG13 ILE A 83 10.127 17.151 27.291 1.00 64.12 H new ATOM 0 HG21 ILE A 83 11.261 17.395 25.084 1.00 52.33 H new ATOM 0 HG22 ILE A 83 10.347 17.132 23.579 1.00 52.33 H new ATOM 0 HG23 ILE A 83 10.073 18.604 24.540 1.00 52.33 H new ATOM 0 HD11 ILE A 83 8.815 19.101 27.973 1.00 3.20 H new ATOM 0 HD12 ILE A 83 9.589 19.389 26.396 1.00 3.20 H new ATOM 0 HD13 ILE A 83 7.856 18.994 26.477 1.00 3.20 H new ATOM 1190 N ALA A 84 7.825 17.219 22.277 1.00 62.41 N ATOM 1191 CA ALA A 84 7.862 16.742 20.900 1.00 53.01 C ATOM 1192 C ALA A 84 9.195 17.075 20.239 1.00 61.30 C ATOM 1193 O ALA A 84 9.631 18.226 20.241 1.00 42.41 O ATOM 1194 CB ALA A 84 6.712 17.341 20.104 1.00 72.14 C ATOM 0 H ALA A 84 7.748 18.232 22.371 1.00 62.41 H new ATOM 0 HA ALA A 84 7.755 15.657 20.914 1.00 53.01 H new ATOM 0 HB1 ALA A 84 6.751 16.977 19.077 1.00 72.14 H new ATOM 0 HB2 ALA A 84 5.765 17.048 20.557 1.00 72.14 H new ATOM 0 HB3 ALA A 84 6.795 18.428 20.107 1.00 72.14 H new ATOM 1200 N THR A 85 9.840 16.059 19.674 1.00 22.30 N ATOM 1201 CA THR A 85 11.125 16.243 19.011 1.00 31.11 C ATOM 1202 C THR A 85 11.087 15.713 17.582 1.00 2.41 C ATOM 1203 O THR A 85 10.821 14.533 17.354 1.00 10.10 O ATOM 1204 CB THR A 85 12.259 15.537 19.778 1.00 2.42 C ATOM 1205 OG1 THR A 85 12.012 15.603 21.187 1.00 4.02 O ATOM 1206 CG2 THR A 85 13.604 16.175 19.463 1.00 12.44 C ATOM 0 H THR A 85 9.493 15.100 19.662 1.00 22.30 H new ATOM 0 HA THR A 85 11.321 17.315 18.993 1.00 31.11 H new ATOM 0 HB THR A 85 12.287 14.494 19.463 1.00 2.42 H new ATOM 0 HG1 THR A 85 12.736 15.151 21.668 1.00 4.02 H new ATOM 0 HG21 THR A 85 14.389 15.660 20.016 1.00 12.44 H new ATOM 0 HG22 THR A 85 13.802 16.097 18.394 1.00 12.44 H new ATOM 0 HG23 THR A 85 13.585 17.226 19.753 1.00 12.44 H new ATOM 1214 N TYR A 86 11.356 16.593 16.623 1.00 33.53 N ATOM 1215 CA TYR A 86 11.351 16.213 15.215 1.00 13.34 C ATOM 1216 C TYR A 86 12.255 17.133 14.400 1.00 32.13 C ATOM 1217 O TYR A 86 11.964 18.316 14.228 1.00 35.24 O ATOM 1218 CB TYR A 86 9.926 16.256 14.659 1.00 24.12 C ATOM 1219 CG TYR A 86 9.744 15.442 13.398 1.00 22.22 C ATOM 1220 CD1 TYR A 86 10.266 14.158 13.295 1.00 52.22 C ATOM 1221 CD2 TYR A 86 9.049 15.956 12.310 1.00 3.13 C ATOM 1222 CE1 TYR A 86 10.102 13.411 12.144 1.00 3.33 C ATOM 1223 CE2 TYR A 86 8.880 15.216 11.156 1.00 34.33 C ATOM 1224 CZ TYR A 86 9.408 13.944 11.078 1.00 4.20 C ATOM 1225 OH TYR A 86 9.242 13.203 9.931 1.00 61.23 O ATOM 0 H TYR A 86 11.580 17.573 16.795 1.00 33.53 H new ATOM 0 HA TYR A 86 11.734 15.195 15.137 1.00 13.34 H new ATOM 0 HB2 TYR A 86 9.237 15.891 15.420 1.00 24.12 H new ATOM 0 HB3 TYR A 86 9.656 17.292 14.455 1.00 24.12 H new ATOM 0 HD1 TYR A 86 10.809 13.737 14.128 1.00 52.22 H new ATOM 0 HD2 TYR A 86 8.634 16.951 12.368 1.00 3.13 H new ATOM 0 HE1 TYR A 86 10.515 12.415 12.080 1.00 3.33 H new ATOM 0 HE2 TYR A 86 8.337 15.631 10.319 1.00 34.33 H new ATOM 0 HH TYR A 86 9.675 12.330 10.040 1.00 61.23 H new ATOM 1235 N GLY A 87 13.355 16.579 13.899 1.00 33.32 N ATOM 1236 CA GLY A 87 14.285 17.362 13.108 1.00 64.35 C ATOM 1237 C GLY A 87 14.967 18.446 13.918 1.00 21.14 C ATOM 1238 O GLY A 87 15.620 18.162 14.922 1.00 24.42 O ATOM 0 H GLY A 87 13.618 15.602 14.027 1.00 33.32 H new ATOM 0 HA2 GLY A 87 15.040 16.702 12.682 1.00 64.35 H new ATOM 0 HA3 GLY A 87 13.753 17.818 12.273 1.00 64.35 H new ATOM 1242 N SER A 88 14.817 19.692 13.482 1.00 53.32 N ATOM 1243 CA SER A 88 15.428 20.823 14.171 1.00 33.31 C ATOM 1244 C SER A 88 14.377 21.632 14.925 1.00 31.44 C ATOM 1245 O SER A 88 14.684 22.659 15.531 1.00 72.33 O ATOM 1246 CB SER A 88 16.159 21.721 13.172 1.00 3.32 C ATOM 1247 OG SER A 88 16.945 20.954 12.276 1.00 13.22 O ATOM 0 H SER A 88 14.277 19.945 12.654 1.00 53.32 H new ATOM 0 HA SER A 88 16.147 20.433 14.892 1.00 33.31 H new ATOM 0 HB2 SER A 88 15.434 22.311 12.611 1.00 3.32 H new ATOM 0 HB3 SER A 88 16.796 22.424 13.709 1.00 3.32 H new ATOM 0 HG SER A 88 17.401 21.551 11.647 1.00 13.22 H new ATOM 1253 N VAL A 89 13.135 21.160 14.884 1.00 15.51 N ATOM 1254 CA VAL A 89 12.037 21.838 15.564 1.00 50.02 C ATOM 1255 C VAL A 89 11.394 20.932 16.608 1.00 61.13 C ATOM 1256 O VAL A 89 11.272 19.724 16.405 1.00 21.25 O ATOM 1257 CB VAL A 89 10.958 22.299 14.566 1.00 41.20 C ATOM 1258 CG1 VAL A 89 9.807 22.974 15.297 1.00 24.43 C ATOM 1259 CG2 VAL A 89 11.559 23.232 13.526 1.00 42.14 C ATOM 0 H VAL A 89 12.864 20.311 14.387 1.00 15.51 H new ATOM 0 HA VAL A 89 12.462 22.712 16.058 1.00 50.02 H new ATOM 0 HB VAL A 89 10.566 21.422 14.051 1.00 41.20 H new ATOM 0 HG11 VAL A 89 9.055 23.293 14.575 1.00 24.43 H new ATOM 0 HG12 VAL A 89 9.360 22.271 16.000 1.00 24.43 H new ATOM 0 HG13 VAL A 89 10.180 23.842 15.840 1.00 24.43 H new ATOM 0 HG21 VAL A 89 10.783 23.548 12.829 1.00 42.14 H new ATOM 0 HG22 VAL A 89 11.980 24.107 14.022 1.00 42.14 H new ATOM 0 HG23 VAL A 89 12.346 22.711 12.981 1.00 42.14 H new ATOM 1269 N SER A 90 10.984 21.524 17.725 1.00 73.30 N ATOM 1270 CA SER A 90 10.356 20.769 18.803 1.00 14.33 C ATOM 1271 C SER A 90 9.133 21.506 19.341 1.00 54.00 C ATOM 1272 O SER A 90 9.026 22.726 19.221 1.00 63.20 O ATOM 1273 CB SER A 90 11.357 20.526 19.934 1.00 13.03 C ATOM 1274 OG SER A 90 12.452 21.421 19.847 1.00 62.30 O ATOM 0 H SER A 90 11.075 22.523 17.907 1.00 73.30 H new ATOM 0 HA SER A 90 10.033 19.809 18.401 1.00 14.33 H new ATOM 0 HB2 SER A 90 10.860 20.647 20.896 1.00 13.03 H new ATOM 0 HB3 SER A 90 11.719 19.499 19.889 1.00 13.03 H new ATOM 0 HG SER A 90 13.076 21.246 20.582 1.00 62.30 H new ATOM 1280 N GLY A 91 8.210 20.755 19.935 1.00 64.50 N ATOM 1281 CA GLY A 91 7.007 21.352 20.482 1.00 15.14 C ATOM 1282 C GLY A 91 6.860 21.101 21.970 1.00 14.21 C ATOM 1283 O GLY A 91 7.486 20.196 22.518 1.00 22.53 O ATOM 0 H GLY A 91 8.275 19.743 20.047 1.00 64.50 H new ATOM 0 HA2 GLY A 91 7.022 22.426 20.298 1.00 15.14 H new ATOM 0 HA3 GLY A 91 6.137 20.951 19.961 1.00 15.14 H new ATOM 1287 N ASN A 92 6.030 21.907 22.625 1.00 22.24 N ATOM 1288 CA ASN A 92 5.805 21.769 24.060 1.00 72.03 C ATOM 1289 C ASN A 92 4.313 21.785 24.380 1.00 2.30 C ATOM 1290 O ASN A 92 3.599 22.721 24.019 1.00 52.14 O ATOM 1291 CB ASN A 92 6.513 22.893 24.819 1.00 61.13 C ATOM 1292 CG ASN A 92 5.998 23.047 26.237 1.00 53.34 C ATOM 1293 OD1 ASN A 92 5.176 23.920 26.519 1.00 61.43 O ATOM 1294 ND2 ASN A 92 6.480 22.199 27.137 1.00 71.51 N ATOM 0 H ASN A 92 5.503 22.662 22.186 1.00 22.24 H new ATOM 0 HA ASN A 92 6.217 20.811 24.377 1.00 72.03 H new ATOM 0 HB2 ASN A 92 7.584 22.692 24.844 1.00 61.13 H new ATOM 0 HB3 ASN A 92 6.377 23.832 24.282 1.00 61.13 H new ATOM 0 HD21 ASN A 92 6.171 22.255 28.107 1.00 71.51 H new ATOM 0 HD22 ASN A 92 7.160 21.491 26.858 1.00 71.51 H new ATOM 1301 N THR A 93 3.848 20.743 25.062 1.00 63.23 N ATOM 1302 CA THR A 93 2.442 20.636 25.431 1.00 45.33 C ATOM 1303 C THR A 93 2.284 20.367 26.923 1.00 45.52 C ATOM 1304 O THR A 93 2.787 19.369 27.440 1.00 42.23 O ATOM 1305 CB THR A 93 1.738 19.517 24.642 1.00 72.25 C ATOM 1306 OG1 THR A 93 2.643 18.942 23.692 1.00 12.31 O ATOM 1307 CG2 THR A 93 0.511 20.053 23.920 1.00 51.33 C ATOM 0 H THR A 93 4.425 19.961 25.370 1.00 63.23 H new ATOM 0 HA THR A 93 1.977 21.591 25.186 1.00 45.33 H new ATOM 0 HB THR A 93 1.419 18.751 25.349 1.00 72.25 H new ATOM 0 HG1 THR A 93 2.188 18.230 23.196 1.00 12.31 H new ATOM 0 HG21 THR A 93 0.030 19.244 23.370 1.00 51.33 H new ATOM 0 HG22 THR A 93 -0.189 20.463 24.648 1.00 51.33 H new ATOM 0 HG23 THR A 93 0.811 20.837 23.225 1.00 51.33 H new ATOM 1315 N ILE A 94 1.583 21.263 27.610 1.00 42.04 N ATOM 1316 CA ILE A 94 1.358 21.120 29.043 1.00 50.44 C ATOM 1317 C ILE A 94 -0.089 20.738 29.336 1.00 2.23 C ATOM 1318 O ILE A 94 -1.020 21.291 28.749 1.00 60.41 O ATOM 1319 CB ILE A 94 1.698 22.419 29.798 1.00 74.11 C ATOM 1320 CG1 ILE A 94 0.688 23.515 29.451 1.00 1.22 C ATOM 1321 CG2 ILE A 94 3.112 22.870 29.466 1.00 22.14 C ATOM 1322 CD1 ILE A 94 0.974 24.836 30.130 1.00 40.41 C ATOM 0 H ILE A 94 1.161 22.095 27.197 1.00 42.04 H new ATOM 0 HA ILE A 94 2.018 20.325 29.389 1.00 50.44 H new ATOM 0 HB ILE A 94 1.642 22.225 30.869 1.00 74.11 H new ATOM 0 HG12 ILE A 94 0.682 23.664 28.371 1.00 1.22 H new ATOM 0 HG13 ILE A 94 -0.311 23.180 29.732 1.00 1.22 H new ATOM 0 HG21 ILE A 94 3.337 23.789 30.007 1.00 22.14 H new ATOM 0 HG22 ILE A 94 3.819 22.094 29.758 1.00 22.14 H new ATOM 0 HG23 ILE A 94 3.194 23.051 28.394 1.00 22.14 H new ATOM 0 HD11 ILE A 94 0.219 25.566 29.839 1.00 40.41 H new ATOM 0 HD12 ILE A 94 0.951 24.702 31.211 1.00 40.41 H new ATOM 0 HD13 ILE A 94 1.959 25.194 29.830 1.00 40.41 H new ATOM 1334 N LEU A 95 -0.271 19.791 30.250 1.00 43.20 N ATOM 1335 CA LEU A 95 -1.605 19.336 30.624 1.00 31.54 C ATOM 1336 C LEU A 95 -1.755 19.277 32.141 1.00 22.32 C ATOM 1337 O LEU A 95 -0.893 18.743 32.841 1.00 14.23 O ATOM 1338 CB LEU A 95 -1.884 17.959 30.019 1.00 23.41 C ATOM 1339 CG LEU A 95 -3.174 17.275 30.473 1.00 70.25 C ATOM 1340 CD1 LEU A 95 -4.389 18.035 29.963 1.00 4.45 C ATOM 1341 CD2 LEU A 95 -3.208 15.830 29.995 1.00 54.31 C ATOM 0 H LEU A 95 0.488 19.324 30.745 1.00 43.20 H new ATOM 0 HA LEU A 95 -2.329 20.051 30.233 1.00 31.54 H new ATOM 0 HB2 LEU A 95 -1.912 18.060 28.934 1.00 23.41 H new ATOM 0 HB3 LEU A 95 -1.046 17.304 30.256 1.00 23.41 H new ATOM 0 HG LEU A 95 -3.200 17.278 31.563 1.00 70.25 H new ATOM 0 HD11 LEU A 95 -5.298 17.534 30.296 1.00 4.45 H new ATOM 0 HD12 LEU A 95 -4.372 19.052 30.354 1.00 4.45 H new ATOM 0 HD13 LEU A 95 -4.369 18.064 28.874 1.00 4.45 H new ATOM 0 HD21 LEU A 95 -4.133 15.359 30.327 1.00 54.31 H new ATOM 0 HD22 LEU A 95 -3.159 15.806 28.906 1.00 54.31 H new ATOM 0 HD23 LEU A 95 -2.357 15.290 30.409 1.00 54.31 H new ATOM 1353 N THR A 96 -2.856 19.827 32.644 1.00 63.10 N ATOM 1354 CA THR A 96 -3.119 19.836 34.077 1.00 14.33 C ATOM 1355 C THR A 96 -4.067 18.708 34.469 1.00 2.34 C ATOM 1356 O THR A 96 -5.257 18.747 34.158 1.00 52.31 O ATOM 1357 CB THR A 96 -3.724 21.179 34.528 1.00 2.35 C ATOM 1358 OG1 THR A 96 -3.246 22.238 33.691 1.00 70.34 O ATOM 1359 CG2 THR A 96 -3.368 21.473 35.978 1.00 42.20 C ATOM 0 H THR A 96 -3.580 20.272 32.080 1.00 63.10 H new ATOM 0 HA THR A 96 -2.160 19.691 34.575 1.00 14.33 H new ATOM 0 HB THR A 96 -4.808 21.110 34.443 1.00 2.35 H new ATOM 0 HG1 THR A 96 -3.061 23.030 34.238 1.00 70.34 H new ATOM 0 HG21 THR A 96 -3.806 22.426 36.274 1.00 42.20 H new ATOM 0 HG22 THR A 96 -3.758 20.680 36.616 1.00 42.20 H new ATOM 0 HG23 THR A 96 -2.284 21.523 36.084 1.00 42.20 H new ATOM 1367 N VAL A 97 -3.531 17.704 35.156 1.00 74.44 N ATOM 1368 CA VAL A 97 -4.330 16.565 35.592 1.00 32.33 C ATOM 1369 C VAL A 97 -4.385 16.483 37.114 1.00 54.23 C ATOM 1370 O VAL A 97 -3.355 16.512 37.785 1.00 43.24 O ATOM 1371 CB VAL A 97 -3.770 15.241 35.038 1.00 15.12 C ATOM 1372 CG1 VAL A 97 -4.137 15.079 33.571 1.00 72.30 C ATOM 1373 CG2 VAL A 97 -2.263 15.179 35.229 1.00 4.24 C ATOM 0 H VAL A 97 -2.548 17.656 35.422 1.00 74.44 H new ATOM 0 HA VAL A 97 -5.336 16.717 35.202 1.00 32.33 H new ATOM 0 HB VAL A 97 -4.217 14.416 35.593 1.00 15.12 H new ATOM 0 HG11 VAL A 97 -3.733 14.138 33.197 1.00 72.30 H new ATOM 0 HG12 VAL A 97 -5.222 15.076 33.466 1.00 72.30 H new ATOM 0 HG13 VAL A 97 -3.719 15.907 32.998 1.00 72.30 H new ATOM 0 HG21 VAL A 97 -1.884 14.237 34.832 1.00 4.24 H new ATOM 0 HG22 VAL A 97 -1.795 16.010 34.701 1.00 4.24 H new ATOM 0 HG23 VAL A 97 -2.028 15.246 36.291 1.00 4.24 H new ATOM 1383 N ASN A 98 -5.596 16.381 37.652 1.00 73.42 N ATOM 1384 CA ASN A 98 -5.787 16.295 39.095 1.00 25.32 C ATOM 1385 C ASN A 98 -6.633 15.079 39.461 1.00 40.20 C ATOM 1386 O ASN A 98 -7.494 15.149 40.338 1.00 0.32 O ATOM 1387 CB ASN A 98 -6.451 17.569 39.620 1.00 42.33 C ATOM 1388 CG ASN A 98 -6.622 18.619 38.539 1.00 70.04 C ATOM 1389 OD1 ASN A 98 -7.644 18.660 37.854 1.00 73.21 O ATOM 1390 ND2 ASN A 98 -5.619 19.474 38.380 1.00 4.35 N ATOM 0 H ASN A 98 -6.460 16.356 37.110 1.00 73.42 H new ATOM 0 HA ASN A 98 -4.807 16.186 39.560 1.00 25.32 H new ATOM 0 HB2 ASN A 98 -7.426 17.321 40.039 1.00 42.33 H new ATOM 0 HB3 ASN A 98 -5.850 17.981 40.431 1.00 42.33 H new ATOM 0 HD21 ASN A 98 -5.677 20.202 37.668 1.00 4.35 H new ATOM 0 HD22 ASN A 98 -4.790 19.403 38.970 1.00 4.35 H new ATOM 1397 N LYS A 99 -6.382 13.965 38.783 1.00 62.42 N ATOM 1398 CA LYS A 99 -7.118 12.732 39.036 1.00 31.13 C ATOM 1399 C LYS A 99 -6.823 12.200 40.435 1.00 72.30 C ATOM 1400 O LYS A 99 -5.754 11.642 40.686 1.00 11.54 O ATOM 1401 CB LYS A 99 -6.758 11.674 37.990 1.00 12.33 C ATOM 1402 CG LYS A 99 -7.513 10.368 38.162 1.00 72.42 C ATOM 1403 CD LYS A 99 -6.670 9.177 37.739 1.00 63.41 C ATOM 1404 CE LYS A 99 -7.076 7.914 38.482 1.00 33.54 C ATOM 1405 NZ LYS A 99 -5.897 7.079 38.844 1.00 72.22 N ATOM 0 H LYS A 99 -5.674 13.890 38.053 1.00 62.42 H new ATOM 0 HA LYS A 99 -8.183 12.954 38.967 1.00 31.13 H new ATOM 0 HB2 LYS A 99 -6.961 12.073 36.996 1.00 12.33 H new ATOM 0 HB3 LYS A 99 -5.688 11.475 38.040 1.00 12.33 H new ATOM 0 HG2 LYS A 99 -7.810 10.253 39.204 1.00 72.42 H new ATOM 0 HG3 LYS A 99 -8.428 10.395 37.571 1.00 72.42 H new ATOM 0 HD2 LYS A 99 -6.775 9.019 36.666 1.00 63.41 H new ATOM 0 HD3 LYS A 99 -5.618 9.389 37.928 1.00 63.41 H new ATOM 0 HE2 LYS A 99 -7.621 8.184 39.387 1.00 33.54 H new ATOM 0 HE3 LYS A 99 -7.757 7.331 37.862 1.00 33.54 H new ATOM 0 HZ1 LYS A 99 -6.216 6.228 39.349 1.00 72.22 H new ATOM 0 HZ2 LYS A 99 -5.391 6.799 37.979 1.00 72.22 H new ATOM 0 HZ3 LYS A 99 -5.259 7.626 39.457 1.00 72.22 H new ATOM 1419 N THR A 100 -7.778 12.373 41.343 1.00 15.42 N ATOM 1420 CA THR A 100 -7.621 11.911 42.716 1.00 31.51 C ATOM 1421 C THR A 100 -7.199 10.446 42.758 1.00 44.53 C ATOM 1422 O THR A 100 -7.963 9.559 42.379 1.00 70.11 O ATOM 1423 CB THR A 100 -8.925 12.080 43.519 1.00 62.21 C ATOM 1424 OG1 THR A 100 -9.887 12.804 42.744 1.00 61.11 O ATOM 1425 CG2 THR A 100 -8.664 12.813 44.826 1.00 20.32 C ATOM 0 H THR A 100 -8.669 12.830 41.152 1.00 15.42 H new ATOM 0 HA THR A 100 -6.842 12.525 43.168 1.00 31.51 H new ATOM 0 HB THR A 100 -9.316 11.089 43.748 1.00 62.21 H new ATOM 0 HG1 THR A 100 -9.571 13.721 42.604 1.00 61.11 H new ATOM 0 HG21 THR A 100 -9.599 12.921 45.376 1.00 20.32 H new ATOM 0 HG22 THR A 100 -7.953 12.245 45.426 1.00 20.32 H new ATOM 0 HG23 THR A 100 -8.252 13.800 44.614 1.00 20.32 H new