USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 857 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 68 THR OG1 : rot 36:sc= -0.396 USER MOD Set 1.2: A 69 ASN : amide:sc= -1.78 K(o=-2.2,f=-3.8!) USER MOD Set 2.1: A 39 SER OG : rot 144:sc= 0.388 USER MOD Set 2.2: A 42 SER OG : rot 91:sc= 1.18 USER MOD Set 3.1: A 36 HIS : no HD1:sc= -0.131 K(o=1.2,f=-5.4!) USER MOD Set 3.2: A 66 THR OG1 : rot 104:sc= 1.36 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 61:sc= 0.308 USER MOD Single : A 24 THR OG1 : rot 78:sc= -0.234 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 27 ASN : amide:sc= -0.753 K(o=-0.75,f=-3.7) USER MOD Single : A 30 SER OG : rot -102:sc= 1.2 USER MOD Single : A 35 THR OG1 : rot -110:sc= -2.15! USER MOD Single : A 40 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00479) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 137:sc= -0.601 (180deg=-3.04!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 123:sc= 0.0501 USER MOD Single : A 77 ASN : amide:sc= -0.329 K(o=-0.33,f=-0.91) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 134:sc= 0.581! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 160:sc= -0.0194 (180deg=-0.21) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 75:sc= 0.464 USER MOD ----------------------------------------------------------------- ATOM 168 N HIS A 12 11.472 10.783 -8.061 1.00 42.52 N ATOM 169 CA HIS A 12 10.298 11.351 -7.407 1.00 64.31 C ATOM 170 C HIS A 12 10.674 11.986 -6.072 1.00 4.11 C ATOM 171 O HIS A 12 10.847 11.293 -5.069 1.00 72.44 O ATOM 172 CB HIS A 12 9.237 10.271 -7.191 1.00 5.14 C ATOM 173 CG HIS A 12 8.160 10.273 -8.231 1.00 65.44 C ATOM 174 ND1 HIS A 12 8.119 9.370 -9.273 1.00 45.22 N ATOM 175 CD2 HIS A 12 7.080 11.073 -8.386 1.00 34.42 C ATOM 176 CE1 HIS A 12 7.061 9.616 -10.024 1.00 40.15 C ATOM 177 NE2 HIS A 12 6.413 10.644 -9.507 1.00 52.23 N ATOM 0 HA HIS A 12 9.890 12.126 -8.056 1.00 64.31 H new ATOM 0 HB2 HIS A 12 9.721 9.294 -7.183 1.00 5.14 H new ATOM 0 HB3 HIS A 12 8.783 10.410 -6.210 1.00 5.14 H new ATOM 0 HD2 HIS A 12 6.795 11.896 -7.747 1.00 34.42 H new ATOM 0 HE1 HIS A 12 6.774 9.069 -10.910 1.00 40.15 H new ATOM 0 HE2 HIS A 12 5.556 11.053 -9.880 1.00 52.23 H new ATOM 185 N VAL A 13 10.801 13.309 -6.066 1.00 53.33 N ATOM 186 CA VAL A 13 11.156 14.038 -4.855 1.00 0.33 C ATOM 187 C VAL A 13 9.937 14.251 -3.964 1.00 41.21 C ATOM 188 O VAL A 13 8.831 14.484 -4.454 1.00 4.15 O ATOM 189 CB VAL A 13 11.781 15.406 -5.186 1.00 5.32 C ATOM 190 CG1 VAL A 13 10.791 16.278 -5.942 1.00 74.34 C ATOM 191 CG2 VAL A 13 12.251 16.099 -3.915 1.00 71.41 C ATOM 0 H VAL A 13 10.663 13.898 -6.887 1.00 53.33 H new ATOM 0 HA VAL A 13 11.889 13.431 -4.324 1.00 0.33 H new ATOM 0 HB VAL A 13 12.648 15.243 -5.827 1.00 5.32 H new ATOM 0 HG11 VAL A 13 11.251 17.240 -6.167 1.00 74.34 H new ATOM 0 HG12 VAL A 13 10.508 15.785 -6.872 1.00 74.34 H new ATOM 0 HG13 VAL A 13 9.903 16.435 -5.330 1.00 74.34 H new ATOM 0 HG21 VAL A 13 12.690 17.064 -4.168 1.00 71.41 H new ATOM 0 HG22 VAL A 13 11.402 16.250 -3.248 1.00 71.41 H new ATOM 0 HG23 VAL A 13 12.998 15.480 -3.418 1.00 71.41 H new ATOM 201 N ILE A 14 10.147 14.170 -2.655 1.00 12.35 N ATOM 202 CA ILE A 14 9.065 14.356 -1.695 1.00 60.13 C ATOM 203 C ILE A 14 8.737 15.834 -1.516 1.00 11.20 C ATOM 204 O ILE A 14 9.384 16.701 -2.104 1.00 11.21 O ATOM 205 CB ILE A 14 9.418 13.750 -0.324 1.00 63.02 C ATOM 206 CG1 ILE A 14 10.676 14.413 0.242 1.00 73.10 C ATOM 207 CG2 ILE A 14 9.614 12.246 -0.444 1.00 41.13 C ATOM 208 CD1 ILE A 14 10.428 15.191 1.515 1.00 35.23 C ATOM 0 H ILE A 14 11.056 13.977 -2.234 1.00 12.35 H new ATOM 0 HA ILE A 14 8.194 13.839 -2.098 1.00 60.13 H new ATOM 0 HB ILE A 14 8.592 13.935 0.362 1.00 63.02 H new ATOM 0 HG12 ILE A 14 11.426 13.646 0.435 1.00 73.10 H new ATOM 0 HG13 ILE A 14 11.093 15.084 -0.509 1.00 73.10 H new ATOM 0 HG21 ILE A 14 9.863 11.832 0.533 1.00 41.13 H new ATOM 0 HG22 ILE A 14 8.695 11.787 -0.809 1.00 41.13 H new ATOM 0 HG23 ILE A 14 10.425 12.039 -1.143 1.00 41.13 H new ATOM 0 HD11 ILE A 14 11.363 15.633 1.859 1.00 35.23 H new ATOM 0 HD12 ILE A 14 9.702 15.981 1.323 1.00 35.23 H new ATOM 0 HD13 ILE A 14 10.040 14.520 2.282 1.00 35.23 H new ATOM 220 N LYS A 15 7.728 16.116 -0.698 1.00 63.32 N ATOM 221 CA LYS A 15 7.315 17.489 -0.437 1.00 54.43 C ATOM 222 C LYS A 15 6.579 17.592 0.895 1.00 3.41 C ATOM 223 O LYS A 15 5.799 18.519 1.114 1.00 4.14 O ATOM 224 CB LYS A 15 6.417 17.997 -1.568 1.00 31.10 C ATOM 225 CG LYS A 15 5.348 17.003 -1.988 1.00 53.42 C ATOM 226 CD LYS A 15 4.099 17.708 -2.491 1.00 71.24 C ATOM 227 CE LYS A 15 2.992 16.716 -2.817 1.00 3.15 C ATOM 228 NZ LYS A 15 2.181 17.154 -3.985 1.00 55.44 N ATOM 0 H LYS A 15 7.181 15.411 -0.204 1.00 63.32 H new ATOM 0 HA LYS A 15 8.211 18.108 -0.386 1.00 54.43 H new ATOM 0 HB2 LYS A 15 5.936 18.923 -1.251 1.00 31.10 H new ATOM 0 HB3 LYS A 15 7.036 18.239 -2.432 1.00 31.10 H new ATOM 0 HG2 LYS A 15 5.741 16.354 -2.770 1.00 53.42 H new ATOM 0 HG3 LYS A 15 5.091 16.364 -1.143 1.00 53.42 H new ATOM 0 HD2 LYS A 15 3.748 18.411 -1.736 1.00 71.24 H new ATOM 0 HD3 LYS A 15 4.341 18.290 -3.380 1.00 71.24 H new ATOM 0 HE2 LYS A 15 3.429 15.739 -3.024 1.00 3.15 H new ATOM 0 HE3 LYS A 15 2.344 16.597 -1.949 1.00 3.15 H new ATOM 0 HZ1 LYS A 15 1.438 16.452 -4.175 1.00 55.44 H new ATOM 0 HZ2 LYS A 15 1.743 18.074 -3.778 1.00 55.44 H new ATOM 0 HZ3 LYS A 15 2.795 17.243 -4.820 1.00 55.44 H new ATOM 242 N SER A 16 6.834 16.636 1.782 1.00 21.31 N ATOM 243 CA SER A 16 6.194 16.618 3.092 1.00 22.03 C ATOM 244 C SER A 16 6.668 15.421 3.912 1.00 53.41 C ATOM 245 O SER A 16 7.211 14.458 3.369 1.00 1.34 O ATOM 246 CB SER A 16 4.673 16.576 2.940 1.00 54.03 C ATOM 247 OG SER A 16 4.090 17.820 3.290 1.00 64.24 O ATOM 0 H SER A 16 7.479 15.864 1.617 1.00 21.31 H new ATOM 0 HA SER A 16 6.474 17.531 3.618 1.00 22.03 H new ATOM 0 HB2 SER A 16 4.414 16.326 1.911 1.00 54.03 H new ATOM 0 HB3 SER A 16 4.263 15.788 3.572 1.00 54.03 H new ATOM 0 HG SER A 16 4.438 18.522 2.701 1.00 64.24 H new ATOM 253 N LEU A 17 6.458 15.490 5.222 1.00 73.52 N ATOM 254 CA LEU A 17 6.862 14.412 6.119 1.00 44.44 C ATOM 255 C LEU A 17 6.101 13.128 5.806 1.00 52.41 C ATOM 256 O LEU A 17 6.702 12.081 5.571 1.00 62.11 O ATOM 257 CB LEU A 17 6.625 14.818 7.574 1.00 21.13 C ATOM 258 CG LEU A 17 7.667 14.336 8.584 1.00 64.21 C ATOM 259 CD1 LEU A 17 9.040 14.896 8.243 1.00 14.13 C ATOM 260 CD2 LEU A 17 7.264 14.731 9.997 1.00 72.40 C ATOM 0 H LEU A 17 6.011 16.280 5.687 1.00 73.52 H new ATOM 0 HA LEU A 17 7.926 14.227 5.969 1.00 44.44 H new ATOM 0 HB2 LEU A 17 6.577 15.906 7.623 1.00 21.13 H new ATOM 0 HB3 LEU A 17 5.649 14.441 7.881 1.00 21.13 H new ATOM 0 HG LEU A 17 7.718 13.248 8.533 1.00 64.21 H new ATOM 0 HD11 LEU A 17 9.769 14.542 8.972 1.00 14.13 H new ATOM 0 HD12 LEU A 17 9.332 14.562 7.247 1.00 14.13 H new ATOM 0 HD13 LEU A 17 9.004 15.985 8.265 1.00 14.13 H new ATOM 0 HD21 LEU A 17 8.017 14.380 10.702 1.00 72.40 H new ATOM 0 HD22 LEU A 17 7.184 15.816 10.063 1.00 72.40 H new ATOM 0 HD23 LEU A 17 6.302 14.281 10.240 1.00 72.40 H new ATOM 272 N GLU A 18 4.774 13.219 5.803 1.00 65.20 N ATOM 273 CA GLU A 18 3.931 12.064 5.517 1.00 24.24 C ATOM 274 C GLU A 18 4.330 11.413 4.196 1.00 31.20 C ATOM 275 O GLU A 18 4.507 10.197 4.120 1.00 15.41 O ATOM 276 CB GLU A 18 2.459 12.478 5.471 1.00 42.12 C ATOM 277 CG GLU A 18 1.605 11.812 6.536 1.00 23.35 C ATOM 278 CD GLU A 18 0.654 12.780 7.212 1.00 41.41 C ATOM 279 OE1 GLU A 18 0.680 12.864 8.458 1.00 55.32 O ATOM 280 OE2 GLU A 18 -0.115 13.454 6.495 1.00 34.05 O ATOM 0 H GLU A 18 4.261 14.079 5.995 1.00 65.20 H new ATOM 0 HA GLU A 18 4.071 11.337 6.317 1.00 24.24 H new ATOM 0 HB2 GLU A 18 2.391 13.560 5.587 1.00 42.12 H new ATOM 0 HB3 GLU A 18 2.053 12.237 4.489 1.00 42.12 H new ATOM 0 HG2 GLU A 18 1.032 11.003 6.083 1.00 23.35 H new ATOM 0 HG3 GLU A 18 2.254 11.362 7.287 1.00 23.35 H new ATOM 287 N GLU A 19 4.469 12.231 3.158 1.00 53.42 N ATOM 288 CA GLU A 19 4.845 11.735 1.839 1.00 32.13 C ATOM 289 C GLU A 19 6.087 10.852 1.924 1.00 12.42 C ATOM 290 O GLU A 19 6.214 9.868 1.195 1.00 40.13 O ATOM 291 CB GLU A 19 5.100 12.903 0.884 1.00 74.52 C ATOM 292 CG GLU A 19 4.902 12.546 -0.580 1.00 34.42 C ATOM 293 CD GLU A 19 3.452 12.255 -0.919 1.00 4.24 C ATOM 294 OE1 GLU A 19 2.611 12.285 0.004 1.00 53.53 O ATOM 295 OE2 GLU A 19 3.160 11.997 -2.105 1.00 10.42 O ATOM 0 H GLU A 19 4.327 13.240 3.205 1.00 53.42 H new ATOM 0 HA GLU A 19 4.020 11.135 1.455 1.00 32.13 H new ATOM 0 HB2 GLU A 19 4.433 13.725 1.142 1.00 74.52 H new ATOM 0 HB3 GLU A 19 6.119 13.263 1.027 1.00 74.52 H new ATOM 0 HG2 GLU A 19 5.259 13.367 -1.202 1.00 34.42 H new ATOM 0 HG3 GLU A 19 5.510 11.675 -0.823 1.00 34.42 H new ATOM 302 N LEU A 20 7.001 11.212 2.819 1.00 53.13 N ATOM 303 CA LEU A 20 8.234 10.454 3.000 1.00 51.13 C ATOM 304 C LEU A 20 7.942 9.064 3.554 1.00 30.45 C ATOM 305 O LEU A 20 8.202 8.055 2.898 1.00 41.33 O ATOM 306 CB LEU A 20 9.182 11.202 3.939 1.00 31.31 C ATOM 307 CG LEU A 20 10.671 11.108 3.604 1.00 51.55 C ATOM 308 CD1 LEU A 20 11.019 12.045 2.457 1.00 23.10 C ATOM 309 CD2 LEU A 20 11.515 11.426 4.829 1.00 13.24 C ATOM 0 H LEU A 20 6.911 12.024 3.430 1.00 53.13 H new ATOM 0 HA LEU A 20 8.710 10.343 2.026 1.00 51.13 H new ATOM 0 HB2 LEU A 20 8.898 12.254 3.947 1.00 31.31 H new ATOM 0 HB3 LEU A 20 9.033 10.824 4.950 1.00 31.31 H new ATOM 0 HG LEU A 20 10.890 10.087 3.292 1.00 51.55 H new ATOM 0 HD11 LEU A 20 12.083 11.965 2.232 1.00 23.10 H new ATOM 0 HD12 LEU A 20 10.440 11.771 1.575 1.00 23.10 H new ATOM 0 HD13 LEU A 20 10.784 13.071 2.741 1.00 23.10 H new ATOM 0 HD21 LEU A 20 12.572 11.354 4.571 1.00 13.24 H new ATOM 0 HD22 LEU A 20 11.293 12.437 5.171 1.00 13.24 H new ATOM 0 HD23 LEU A 20 11.286 10.715 5.623 1.00 13.24 H new ATOM 321 N ARG A 21 7.398 9.018 4.766 1.00 23.33 N ATOM 322 CA ARG A 21 7.070 7.751 5.409 1.00 72.12 C ATOM 323 C ARG A 21 6.099 6.943 4.553 1.00 64.54 C ATOM 324 O ARG A 21 6.012 5.722 4.682 1.00 15.13 O ATOM 325 CB ARG A 21 6.463 7.998 6.791 1.00 11.12 C ATOM 326 CG ARG A 21 6.484 6.775 7.693 1.00 34.20 C ATOM 327 CD ARG A 21 5.868 7.073 9.051 1.00 53.30 C ATOM 328 NE ARG A 21 4.431 7.317 8.959 1.00 73.04 N ATOM 329 CZ ARG A 21 3.535 6.359 8.750 1.00 33.35 C ATOM 330 NH1 ARG A 21 3.926 5.099 8.614 1.00 12.13 N ATOM 331 NH2 ARG A 21 2.244 6.659 8.679 1.00 43.43 N ATOM 0 H ARG A 21 7.175 9.843 5.322 1.00 23.33 H new ATOM 0 HA ARG A 21 7.992 7.180 5.521 1.00 72.12 H new ATOM 0 HB2 ARG A 21 7.007 8.807 7.278 1.00 11.12 H new ATOM 0 HB3 ARG A 21 5.433 8.333 6.671 1.00 11.12 H new ATOM 0 HG2 ARG A 21 5.939 5.960 7.216 1.00 34.20 H new ATOM 0 HG3 ARG A 21 7.512 6.437 7.825 1.00 34.20 H new ATOM 0 HD2 ARG A 21 6.051 6.235 9.724 1.00 53.30 H new ATOM 0 HD3 ARG A 21 6.356 7.944 9.487 1.00 53.30 H new ATOM 0 HE ARG A 21 4.097 8.275 9.061 1.00 73.04 H new ATOM 0 HH11 ARG A 21 4.917 4.864 8.670 1.00 12.13 H new ATOM 0 HH12 ARG A 21 3.236 4.365 8.454 1.00 12.13 H new ATOM 0 HH21 ARG A 21 1.939 7.626 8.785 1.00 43.43 H new ATOM 0 HH22 ARG A 21 1.557 5.922 8.518 1.00 43.43 H new ATOM 345 N GLU A 22 5.373 7.633 3.679 1.00 61.53 N ATOM 346 CA GLU A 22 4.408 6.978 2.803 1.00 44.13 C ATOM 347 C GLU A 22 5.112 6.285 1.640 1.00 63.23 C ATOM 348 O GLU A 22 4.916 5.093 1.403 1.00 5.14 O ATOM 349 CB GLU A 22 3.399 7.996 2.268 1.00 13.03 C ATOM 350 CG GLU A 22 2.343 7.387 1.361 1.00 41.43 C ATOM 351 CD GLU A 22 0.965 7.977 1.591 1.00 43.41 C ATOM 352 OE1 GLU A 22 0.097 7.261 2.133 1.00 40.53 O ATOM 353 OE2 GLU A 22 0.755 9.154 1.229 1.00 21.15 O ATOM 0 H GLU A 22 5.434 8.644 3.559 1.00 61.53 H new ATOM 0 HA GLU A 22 3.879 6.224 3.387 1.00 44.13 H new ATOM 0 HB2 GLU A 22 2.906 8.483 3.109 1.00 13.03 H new ATOM 0 HB3 GLU A 22 3.934 8.771 1.719 1.00 13.03 H new ATOM 0 HG2 GLU A 22 2.631 7.540 0.321 1.00 41.43 H new ATOM 0 HG3 GLU A 22 2.305 6.310 1.526 1.00 41.43 H new ATOM 360 N ALA A 23 5.932 7.041 0.917 1.00 60.34 N ATOM 361 CA ALA A 23 6.666 6.500 -0.220 1.00 63.15 C ATOM 362 C ALA A 23 7.517 5.304 0.194 1.00 41.20 C ATOM 363 O ALA A 23 7.841 4.445 -0.626 1.00 60.43 O ATOM 364 CB ALA A 23 7.538 7.578 -0.847 1.00 54.23 C ATOM 0 H ALA A 23 6.104 8.030 1.099 1.00 60.34 H new ATOM 0 HA ALA A 23 5.941 6.159 -0.959 1.00 63.15 H new ATOM 0 HB1 ALA A 23 8.080 7.160 -1.695 1.00 54.23 H new ATOM 0 HB2 ALA A 23 6.910 8.401 -1.188 1.00 54.23 H new ATOM 0 HB3 ALA A 23 8.249 7.946 -0.108 1.00 54.23 H new ATOM 370 N THR A 24 7.878 5.255 1.473 1.00 52.03 N ATOM 371 CA THR A 24 8.693 4.166 1.996 1.00 72.24 C ATOM 372 C THR A 24 7.881 2.882 2.119 1.00 73.32 C ATOM 373 O THR A 24 8.437 1.784 2.145 1.00 2.42 O ATOM 374 CB THR A 24 9.286 4.519 3.373 1.00 73.13 C ATOM 375 OG1 THR A 24 8.511 5.553 3.989 1.00 12.41 O ATOM 376 CG2 THR A 24 10.732 4.973 3.239 1.00 34.41 C ATOM 0 H THR A 24 7.618 5.957 2.166 1.00 52.03 H new ATOM 0 HA THR A 24 9.507 4.012 1.287 1.00 72.24 H new ATOM 0 HB THR A 24 9.259 3.625 3.996 1.00 73.13 H new ATOM 0 HG1 THR A 24 7.693 5.168 4.368 1.00 12.41 H new ATOM 0 HG21 THR A 24 11.130 5.217 4.224 1.00 34.41 H new ATOM 0 HG22 THR A 24 11.325 4.173 2.796 1.00 34.41 H new ATOM 0 HG23 THR A 24 10.779 5.855 2.600 1.00 34.41 H new ATOM 384 N ALA A 25 6.562 3.026 2.193 1.00 13.03 N ATOM 385 CA ALA A 25 5.673 1.877 2.311 1.00 72.31 C ATOM 386 C ALA A 25 5.676 1.047 1.031 1.00 12.33 C ATOM 387 O ALA A 25 5.326 -0.133 1.044 1.00 14.33 O ATOM 388 CB ALA A 25 4.260 2.334 2.643 1.00 61.14 C ATOM 0 H ALA A 25 6.085 3.928 2.173 1.00 13.03 H new ATOM 0 HA ALA A 25 6.039 1.248 3.122 1.00 72.31 H new ATOM 0 HB1 ALA A 25 3.607 1.465 2.728 1.00 61.14 H new ATOM 0 HB2 ALA A 25 4.266 2.877 3.588 1.00 61.14 H new ATOM 0 HB3 ALA A 25 3.893 2.987 1.851 1.00 61.14 H new ATOM 394 N SER A 26 6.072 1.672 -0.073 1.00 4.33 N ATOM 395 CA SER A 26 6.116 0.993 -1.362 1.00 64.40 C ATOM 396 C SER A 26 6.898 -0.313 -1.261 1.00 65.43 C ATOM 397 O SER A 26 7.757 -0.470 -0.395 1.00 3.15 O ATOM 398 CB SER A 26 6.750 1.899 -2.419 1.00 52.31 C ATOM 399 OG SER A 26 8.129 1.613 -2.577 1.00 34.14 O ATOM 0 H SER A 26 6.367 2.648 -0.100 1.00 4.33 H new ATOM 0 HA SER A 26 5.093 0.762 -1.658 1.00 64.40 H new ATOM 0 HB2 SER A 26 6.237 1.766 -3.371 1.00 52.31 H new ATOM 0 HB3 SER A 26 6.623 2.943 -2.131 1.00 52.31 H new ATOM 0 HG SER A 26 8.510 2.205 -3.259 1.00 34.14 H new ATOM 405 N ASN A 27 6.594 -1.249 -2.155 1.00 53.30 N ATOM 406 CA ASN A 27 7.267 -2.542 -2.167 1.00 70.44 C ATOM 407 C ASN A 27 8.434 -2.539 -3.151 1.00 33.05 C ATOM 408 O ASN A 27 8.703 -3.541 -3.813 1.00 52.15 O ATOM 409 CB ASN A 27 6.279 -3.651 -2.535 1.00 20.42 C ATOM 410 CG ASN A 27 5.925 -3.645 -4.009 1.00 53.23 C ATOM 411 OD1 ASN A 27 6.092 -2.636 -4.695 1.00 23.20 O ATOM 412 ND2 ASN A 27 5.431 -4.774 -4.504 1.00 64.11 N ATOM 0 H ASN A 27 5.886 -1.136 -2.880 1.00 53.30 H new ATOM 0 HA ASN A 27 7.658 -2.729 -1.167 1.00 70.44 H new ATOM 0 HB2 ASN A 27 6.708 -4.618 -2.271 1.00 20.42 H new ATOM 0 HB3 ASN A 27 5.370 -3.534 -1.945 1.00 20.42 H new ATOM 0 HD21 ASN A 27 5.173 -4.829 -5.489 1.00 64.11 H new ATOM 0 HD22 ASN A 27 5.310 -5.586 -3.899 1.00 64.11 H new ATOM 419 N ARG A 28 9.123 -1.406 -3.239 1.00 31.14 N ATOM 420 CA ARG A 28 10.260 -1.272 -4.141 1.00 2.13 C ATOM 421 C ARG A 28 11.479 -0.726 -3.402 1.00 53.10 C ATOM 422 O ARG A 28 11.482 -0.632 -2.174 1.00 73.22 O ATOM 423 CB ARG A 28 9.905 -0.352 -5.310 1.00 50.02 C ATOM 424 CG ARG A 28 8.609 -0.729 -6.010 1.00 3.12 C ATOM 425 CD ARG A 28 8.809 -0.875 -7.510 1.00 75.32 C ATOM 426 NE ARG A 28 9.824 -1.874 -7.833 1.00 22.04 N ATOM 427 CZ ARG A 28 10.416 -1.964 -9.019 1.00 35.43 C ATOM 428 NH1 ARG A 28 10.094 -1.120 -9.989 1.00 64.33 N ATOM 429 NH2 ARG A 28 11.331 -2.900 -9.235 1.00 73.44 N ATOM 0 H ARG A 28 8.914 -0.568 -2.697 1.00 31.14 H new ATOM 0 HA ARG A 28 10.504 -2.262 -4.527 1.00 2.13 H new ATOM 0 HB2 ARG A 28 9.826 0.672 -4.945 1.00 50.02 H new ATOM 0 HB3 ARG A 28 10.718 -0.370 -6.035 1.00 50.02 H new ATOM 0 HG2 ARG A 28 8.231 -1.665 -5.599 1.00 3.12 H new ATOM 0 HG3 ARG A 28 7.854 0.032 -5.815 1.00 3.12 H new ATOM 0 HD2 ARG A 28 7.864 -1.155 -7.976 1.00 75.32 H new ATOM 0 HD3 ARG A 28 9.100 0.087 -7.932 1.00 75.32 H new ATOM 0 HE ARG A 28 10.093 -2.539 -7.108 1.00 22.04 H new ATOM 0 HH11 ARG A 28 9.391 -0.400 -9.826 1.00 64.33 H new ATOM 0 HH12 ARG A 28 10.550 -1.191 -10.899 1.00 64.33 H new ATOM 0 HH21 ARG A 28 11.580 -3.551 -8.490 1.00 73.44 H new ATOM 0 HH22 ARG A 28 11.785 -2.969 -10.146 1.00 73.44 H new ATOM 443 N ILE A 29 12.511 -0.368 -4.158 1.00 50.20 N ATOM 444 CA ILE A 29 13.734 0.169 -3.575 1.00 43.00 C ATOM 445 C ILE A 29 13.957 1.616 -4.000 1.00 52.43 C ATOM 446 O ILE A 29 14.211 1.898 -5.171 1.00 50.13 O ATOM 447 CB ILE A 29 14.964 -0.667 -3.977 1.00 74.11 C ATOM 448 CG1 ILE A 29 14.686 -2.157 -3.766 1.00 13.23 C ATOM 449 CG2 ILE A 29 16.184 -0.232 -3.179 1.00 71.05 C ATOM 450 CD1 ILE A 29 14.361 -2.513 -2.332 1.00 23.41 C ATOM 0 H ILE A 29 12.525 -0.440 -5.175 1.00 50.20 H new ATOM 0 HA ILE A 29 13.612 0.125 -2.493 1.00 43.00 H new ATOM 0 HB ILE A 29 15.168 -0.501 -5.035 1.00 74.11 H new ATOM 0 HG12 ILE A 29 13.855 -2.457 -4.404 1.00 13.23 H new ATOM 0 HG13 ILE A 29 15.556 -2.730 -4.086 1.00 13.23 H new ATOM 0 HG21 ILE A 29 17.045 -0.832 -3.474 1.00 71.05 H new ATOM 0 HG22 ILE A 29 16.391 0.820 -3.375 1.00 71.05 H new ATOM 0 HG23 ILE A 29 15.992 -0.372 -2.115 1.00 71.05 H new ATOM 0 HD11 ILE A 29 14.175 -3.584 -2.256 1.00 23.41 H new ATOM 0 HD12 ILE A 29 15.201 -2.244 -1.691 1.00 23.41 H new ATOM 0 HD13 ILE A 29 13.473 -1.967 -2.014 1.00 23.41 H new ATOM 462 N SER A 30 13.861 2.531 -3.040 1.00 61.14 N ATOM 463 CA SER A 30 14.050 3.950 -3.315 1.00 51.44 C ATOM 464 C SER A 30 15.222 4.508 -2.514 1.00 24.30 C ATOM 465 O SER A 30 15.181 4.558 -1.285 1.00 23.44 O ATOM 466 CB SER A 30 12.775 4.730 -2.985 1.00 64.40 C ATOM 467 OG SER A 30 11.633 4.093 -3.531 1.00 12.23 O ATOM 0 H SER A 30 13.653 2.314 -2.065 1.00 61.14 H new ATOM 0 HA SER A 30 14.272 4.062 -4.376 1.00 51.44 H new ATOM 0 HB2 SER A 30 12.666 4.815 -1.904 1.00 64.40 H new ATOM 0 HB3 SER A 30 12.853 5.744 -3.378 1.00 64.40 H new ATOM 0 HG SER A 30 11.356 4.561 -4.346 1.00 12.23 H new ATOM 473 N VAL A 31 16.268 4.926 -3.220 1.00 41.21 N ATOM 474 CA VAL A 31 17.453 5.481 -2.576 1.00 54.22 C ATOM 475 C VAL A 31 17.158 6.848 -1.969 1.00 4.22 C ATOM 476 O VAL A 31 17.101 7.854 -2.677 1.00 71.11 O ATOM 477 CB VAL A 31 18.622 5.614 -3.570 1.00 55.24 C ATOM 478 CG1 VAL A 31 19.925 5.874 -2.831 1.00 11.14 C ATOM 479 CG2 VAL A 31 18.729 4.367 -4.435 1.00 42.53 C ATOM 0 H VAL A 31 16.319 4.891 -4.238 1.00 41.21 H new ATOM 0 HA VAL A 31 17.737 4.788 -1.784 1.00 54.22 H new ATOM 0 HB VAL A 31 18.427 6.465 -4.222 1.00 55.24 H new ATOM 0 HG11 VAL A 31 20.739 5.965 -3.550 1.00 11.14 H new ATOM 0 HG12 VAL A 31 19.841 6.798 -2.259 1.00 11.14 H new ATOM 0 HG13 VAL A 31 20.130 5.045 -2.153 1.00 11.14 H new ATOM 0 HG21 VAL A 31 19.560 4.478 -5.132 1.00 42.53 H new ATOM 0 HG22 VAL A 31 18.901 3.498 -3.800 1.00 42.53 H new ATOM 0 HG23 VAL A 31 17.803 4.231 -4.994 1.00 42.53 H new ATOM 489 N ILE A 32 16.973 6.878 -0.653 1.00 62.54 N ATOM 490 CA ILE A 32 16.686 8.122 0.050 1.00 65.24 C ATOM 491 C ILE A 32 17.965 8.908 0.320 1.00 70.31 C ATOM 492 O ILE A 32 18.688 8.628 1.277 1.00 52.35 O ATOM 493 CB ILE A 32 15.966 7.860 1.385 1.00 13.54 C ATOM 494 CG1 ILE A 32 14.752 6.954 1.167 1.00 44.35 C ATOM 495 CG2 ILE A 32 15.544 9.175 2.025 1.00 33.44 C ATOM 496 CD1 ILE A 32 14.885 5.598 1.822 1.00 65.41 C ATOM 0 H ILE A 32 17.017 6.055 -0.052 1.00 62.54 H new ATOM 0 HA ILE A 32 16.033 8.707 -0.597 1.00 65.24 H new ATOM 0 HB ILE A 32 16.656 7.354 2.060 1.00 13.54 H new ATOM 0 HG12 ILE A 32 13.863 7.451 1.556 1.00 44.35 H new ATOM 0 HG13 ILE A 32 14.598 6.818 0.097 1.00 44.35 H new ATOM 0 HG21 ILE A 32 15.036 8.974 2.968 1.00 33.44 H new ATOM 0 HG22 ILE A 32 16.426 9.789 2.211 1.00 33.44 H new ATOM 0 HG23 ILE A 32 14.868 9.705 1.355 1.00 33.44 H new ATOM 0 HD11 ILE A 32 13.989 5.010 1.626 1.00 65.41 H new ATOM 0 HD12 ILE A 32 15.754 5.081 1.415 1.00 65.41 H new ATOM 0 HD13 ILE A 32 15.008 5.724 2.898 1.00 65.41 H new ATOM 508 N VAL A 33 18.238 9.894 -0.529 1.00 35.13 N ATOM 509 CA VAL A 33 19.427 10.723 -0.380 1.00 45.32 C ATOM 510 C VAL A 33 19.058 12.151 0.006 1.00 54.03 C ATOM 511 O VAL A 33 18.254 12.799 -0.666 1.00 24.21 O ATOM 512 CB VAL A 33 20.257 10.752 -1.678 1.00 12.43 C ATOM 513 CG1 VAL A 33 21.582 11.463 -1.449 1.00 11.22 C ATOM 514 CG2 VAL A 33 20.483 9.340 -2.197 1.00 54.40 C ATOM 0 H VAL A 33 17.651 10.138 -1.327 1.00 35.13 H new ATOM 0 HA VAL A 33 20.025 10.278 0.416 1.00 45.32 H new ATOM 0 HB VAL A 33 19.700 11.307 -2.433 1.00 12.43 H new ATOM 0 HG11 VAL A 33 22.154 11.474 -2.377 1.00 11.22 H new ATOM 0 HG12 VAL A 33 21.394 12.487 -1.127 1.00 11.22 H new ATOM 0 HG13 VAL A 33 22.148 10.938 -0.679 1.00 11.22 H new ATOM 0 HG21 VAL A 33 21.071 9.379 -3.114 1.00 54.40 H new ATOM 0 HG22 VAL A 33 21.019 8.758 -1.447 1.00 54.40 H new ATOM 0 HG23 VAL A 33 19.521 8.870 -2.402 1.00 54.40 H new ATOM 524 N PHE A 34 19.649 12.637 1.092 1.00 21.41 N ATOM 525 CA PHE A 34 19.382 13.989 1.569 1.00 73.44 C ATOM 526 C PHE A 34 20.501 14.941 1.159 1.00 3.01 C ATOM 527 O PHE A 34 21.666 14.733 1.500 1.00 21.44 O ATOM 528 CB PHE A 34 19.224 13.994 3.091 1.00 74.25 C ATOM 529 CG PHE A 34 19.090 12.621 3.684 1.00 31.50 C ATOM 530 CD1 PHE A 34 17.893 11.928 3.600 1.00 55.53 C ATOM 531 CD2 PHE A 34 20.162 12.022 4.327 1.00 75.12 C ATOM 532 CE1 PHE A 34 17.766 10.664 4.144 1.00 2.44 C ATOM 533 CE2 PHE A 34 20.041 10.758 4.873 1.00 42.10 C ATOM 534 CZ PHE A 34 18.842 10.079 4.783 1.00 72.02 C ATOM 0 H PHE A 34 20.317 12.114 1.659 1.00 21.41 H new ATOM 0 HA PHE A 34 18.453 14.331 1.113 1.00 73.44 H new ATOM 0 HB2 PHE A 34 20.086 14.491 3.536 1.00 74.25 H new ATOM 0 HB3 PHE A 34 18.345 14.583 3.355 1.00 74.25 H new ATOM 0 HD1 PHE A 34 17.048 12.382 3.103 1.00 55.53 H new ATOM 0 HD2 PHE A 34 21.102 12.549 4.402 1.00 75.12 H new ATOM 0 HE1 PHE A 34 16.828 10.135 4.070 1.00 2.44 H new ATOM 0 HE2 PHE A 34 20.884 10.301 5.370 1.00 42.10 H new ATOM 0 HZ PHE A 34 18.746 9.092 5.211 1.00 72.02 H new ATOM 544 N THR A 35 20.140 15.988 0.424 1.00 41.22 N ATOM 545 CA THR A 35 21.113 16.972 -0.034 1.00 54.25 C ATOM 546 C THR A 35 20.516 18.375 -0.037 1.00 20.02 C ATOM 547 O THR A 35 19.310 18.547 -0.216 1.00 51.33 O ATOM 548 CB THR A 35 21.622 16.641 -1.450 1.00 5.12 C ATOM 549 OG1 THR A 35 20.767 15.671 -2.064 1.00 61.02 O ATOM 550 CG2 THR A 35 23.047 16.110 -1.401 1.00 42.12 C ATOM 0 H THR A 35 19.181 16.176 0.133 1.00 41.22 H new ATOM 0 HA THR A 35 21.950 16.937 0.663 1.00 54.25 H new ATOM 0 HB THR A 35 21.612 17.558 -2.040 1.00 5.12 H new ATOM 0 HG1 THR A 35 21.242 14.817 -2.140 1.00 61.02 H new ATOM 0 HG21 THR A 35 23.386 15.883 -2.412 1.00 42.12 H new ATOM 0 HG22 THR A 35 23.701 16.862 -0.960 1.00 42.12 H new ATOM 0 HG23 THR A 35 23.077 15.204 -0.796 1.00 42.12 H new ATOM 558 N HIS A 36 21.368 19.376 0.163 1.00 31.30 N ATOM 559 CA HIS A 36 20.924 20.765 0.183 1.00 41.04 C ATOM 560 C HIS A 36 21.263 21.462 -1.132 1.00 10.14 C ATOM 561 O HIS A 36 22.366 21.336 -1.663 1.00 64.50 O ATOM 562 CB HIS A 36 21.569 21.512 1.351 1.00 52.05 C ATOM 563 CG HIS A 36 20.769 22.686 1.825 1.00 1.11 C ATOM 564 ND1 HIS A 36 19.518 22.565 2.392 1.00 72.13 N ATOM 565 CD2 HIS A 36 21.050 24.010 1.816 1.00 11.24 C ATOM 566 CE1 HIS A 36 19.063 23.764 2.709 1.00 32.34 C ATOM 567 NE2 HIS A 36 19.974 24.658 2.371 1.00 13.31 N ATOM 0 H HIS A 36 22.369 19.251 0.313 1.00 31.30 H new ATOM 0 HA HIS A 36 19.841 20.773 0.310 1.00 41.04 H new ATOM 0 HB2 HIS A 36 21.710 20.820 2.181 1.00 52.05 H new ATOM 0 HB3 HIS A 36 22.559 21.855 1.050 1.00 52.05 H new ATOM 0 HD2 HIS A 36 21.952 24.471 1.442 1.00 11.24 H new ATOM 0 HE1 HIS A 36 18.108 23.977 3.167 1.00 32.34 H new ATOM 0 HE2 HIS A 36 19.892 25.666 2.501 1.00 13.31 H new ATOM 575 N PRO A 37 20.293 22.215 -1.670 1.00 55.40 N ATOM 576 CA PRO A 37 20.465 22.947 -2.929 1.00 35.14 C ATOM 577 C PRO A 37 21.432 24.118 -2.791 1.00 71.42 C ATOM 578 O PRO A 37 22.008 24.337 -1.726 1.00 11.45 O ATOM 579 CB PRO A 37 19.054 23.453 -3.241 1.00 31.34 C ATOM 580 CG PRO A 37 18.377 23.530 -1.915 1.00 64.35 C ATOM 581 CD PRO A 37 18.953 22.411 -1.091 1.00 52.42 C ATOM 0 HA PRO A 37 20.890 22.318 -3.711 1.00 35.14 H new ATOM 0 HB2 PRO A 37 19.082 24.428 -3.729 1.00 31.34 H new ATOM 0 HB3 PRO A 37 18.530 22.775 -3.914 1.00 31.34 H new ATOM 0 HG2 PRO A 37 18.555 24.495 -1.441 1.00 64.35 H new ATOM 0 HG3 PRO A 37 17.298 23.421 -2.021 1.00 64.35 H new ATOM 0 HD2 PRO A 37 19.006 22.676 -0.035 1.00 52.42 H new ATOM 0 HD3 PRO A 37 18.348 21.507 -1.163 1.00 52.42 H new ATOM 589 N ASP A 38 21.605 24.866 -3.875 1.00 3.01 N ATOM 590 CA ASP A 38 22.502 26.016 -3.875 1.00 21.15 C ATOM 591 C ASP A 38 23.876 25.634 -3.332 1.00 34.33 C ATOM 592 O ASP A 38 24.122 25.712 -2.128 1.00 43.13 O ATOM 593 CB ASP A 38 21.909 27.152 -3.040 1.00 54.34 C ATOM 594 CG ASP A 38 22.956 28.156 -2.601 1.00 3.02 C ATOM 595 OD1 ASP A 38 23.511 28.856 -3.474 1.00 22.01 O ATOM 596 OD2 ASP A 38 23.221 28.242 -1.384 1.00 13.34 O ATOM 0 H ASP A 38 21.136 24.697 -4.765 1.00 3.01 H new ATOM 0 HA ASP A 38 22.619 26.354 -4.905 1.00 21.15 H new ATOM 0 HB2 ASP A 38 21.141 27.663 -3.621 1.00 54.34 H new ATOM 0 HB3 ASP A 38 21.419 26.735 -2.160 1.00 54.34 H new ATOM 601 N SER A 39 24.766 25.219 -4.227 1.00 72.24 N ATOM 602 CA SER A 39 26.113 24.819 -3.838 1.00 0.42 C ATOM 603 C SER A 39 26.964 24.509 -5.066 1.00 30.15 C ATOM 604 O SER A 39 26.995 23.375 -5.544 1.00 22.24 O ATOM 605 CB SER A 39 26.060 23.598 -2.918 1.00 72.01 C ATOM 606 OG SER A 39 27.299 23.402 -2.259 1.00 33.41 O ATOM 0 H SER A 39 24.579 25.151 -5.227 1.00 72.24 H new ATOM 0 HA SER A 39 26.571 25.650 -3.301 1.00 0.42 H new ATOM 0 HB2 SER A 39 25.269 23.729 -2.180 1.00 72.01 H new ATOM 0 HB3 SER A 39 25.810 22.711 -3.500 1.00 72.01 H new ATOM 0 HG SER A 39 27.138 23.074 -1.350 1.00 33.41 H new ATOM 612 N LYS A 40 27.654 25.525 -5.572 1.00 12.53 N ATOM 613 CA LYS A 40 28.507 25.364 -6.743 1.00 21.10 C ATOM 614 C LYS A 40 29.588 24.318 -6.488 1.00 42.44 C ATOM 615 O LYS A 40 29.761 23.386 -7.274 1.00 15.22 O ATOM 616 CB LYS A 40 29.153 26.700 -7.117 1.00 73.14 C ATOM 617 CG LYS A 40 29.760 26.713 -8.509 1.00 64.13 C ATOM 618 CD LYS A 40 29.582 28.063 -9.183 1.00 50.11 C ATOM 619 CE LYS A 40 30.666 28.316 -10.220 1.00 14.21 C ATOM 620 NZ LYS A 40 31.951 28.728 -9.590 1.00 54.21 N ATOM 0 H LYS A 40 27.639 26.470 -5.189 1.00 12.53 H new ATOM 0 HA LYS A 40 27.885 25.024 -7.571 1.00 21.10 H new ATOM 0 HB2 LYS A 40 28.403 27.488 -7.049 1.00 73.14 H new ATOM 0 HB3 LYS A 40 29.929 26.935 -6.389 1.00 73.14 H new ATOM 0 HG2 LYS A 40 30.822 26.474 -8.446 1.00 64.13 H new ATOM 0 HG3 LYS A 40 29.294 25.938 -9.117 1.00 64.13 H new ATOM 0 HD2 LYS A 40 28.603 28.106 -9.661 1.00 50.11 H new ATOM 0 HD3 LYS A 40 29.605 28.852 -8.431 1.00 50.11 H new ATOM 0 HE2 LYS A 40 30.823 27.412 -10.809 1.00 14.21 H new ATOM 0 HE3 LYS A 40 30.335 29.092 -10.910 1.00 14.21 H new ATOM 0 HZ1 LYS A 40 32.644 28.956 -10.331 1.00 54.21 H new ATOM 0 HZ2 LYS A 40 31.793 29.566 -8.994 1.00 54.21 H new ATOM 0 HZ3 LYS A 40 32.315 27.950 -9.004 1.00 54.21 H new ATOM 634 N ARG A 41 30.313 24.479 -5.386 1.00 14.32 N ATOM 635 CA ARG A 41 31.377 23.549 -5.028 1.00 74.12 C ATOM 636 C ARG A 41 30.825 22.139 -4.839 1.00 31.14 C ATOM 637 O ARG A 41 31.567 21.158 -4.895 1.00 51.40 O ATOM 638 CB ARG A 41 32.078 24.010 -3.749 1.00 72.02 C ATOM 639 CG ARG A 41 31.339 23.626 -2.477 1.00 51.55 C ATOM 640 CD ARG A 41 31.989 22.435 -1.793 1.00 65.51 C ATOM 641 NE ARG A 41 33.280 22.780 -1.202 1.00 72.44 N ATOM 642 CZ ARG A 41 34.096 21.890 -0.648 1.00 71.14 C ATOM 643 NH1 ARG A 41 33.757 20.609 -0.610 1.00 64.40 N ATOM 644 NH2 ARG A 41 35.254 22.281 -0.132 1.00 13.43 N ATOM 0 H ARG A 41 30.183 25.245 -4.725 1.00 14.32 H new ATOM 0 HA ARG A 41 32.100 23.532 -5.844 1.00 74.12 H new ATOM 0 HB2 ARG A 41 33.080 23.583 -3.720 1.00 72.02 H new ATOM 0 HB3 ARG A 41 32.194 25.093 -3.779 1.00 72.02 H new ATOM 0 HG2 ARG A 41 31.323 24.475 -1.794 1.00 51.55 H new ATOM 0 HG3 ARG A 41 30.302 23.389 -2.715 1.00 51.55 H new ATOM 0 HD2 ARG A 41 31.325 22.056 -1.016 1.00 65.51 H new ATOM 0 HD3 ARG A 41 32.125 21.631 -2.517 1.00 65.51 H new ATOM 0 HE ARG A 41 33.571 23.758 -1.216 1.00 72.44 H new ATOM 0 HH11 ARG A 41 32.868 20.305 -1.007 1.00 64.40 H new ATOM 0 HH12 ARG A 41 34.385 19.928 -0.184 1.00 64.40 H new ATOM 0 HH21 ARG A 41 35.518 23.266 -0.160 1.00 13.43 H new ATOM 0 HH22 ARG A 41 35.880 21.597 0.293 1.00 13.43 H new ATOM 658 N SER A 42 29.518 22.046 -4.613 1.00 63.41 N ATOM 659 CA SER A 42 28.868 20.756 -4.411 1.00 14.43 C ATOM 660 C SER A 42 27.898 20.453 -5.549 1.00 31.33 C ATOM 661 O SER A 42 27.868 21.155 -6.559 1.00 42.25 O ATOM 662 CB SER A 42 28.124 20.741 -3.074 1.00 32.01 C ATOM 663 OG SER A 42 28.893 21.356 -2.055 1.00 63.30 O ATOM 0 H SER A 42 28.889 22.848 -4.565 1.00 63.41 H new ATOM 0 HA SER A 42 29.639 19.985 -4.399 1.00 14.43 H new ATOM 0 HB2 SER A 42 27.171 21.260 -3.179 1.00 32.01 H new ATOM 0 HB3 SER A 42 27.897 19.713 -2.792 1.00 32.01 H new ATOM 0 HG SER A 42 28.679 22.312 -2.016 1.00 63.30 H new ATOM 669 N LYS A 43 27.105 19.400 -5.377 1.00 2.30 N ATOM 670 CA LYS A 43 26.132 19.002 -6.387 1.00 62.22 C ATOM 671 C LYS A 43 26.828 18.589 -7.680 1.00 44.53 C ATOM 672 O LYS A 43 26.198 18.501 -8.733 1.00 42.14 O ATOM 673 CB LYS A 43 25.156 20.147 -6.664 1.00 75.11 C ATOM 674 CG LYS A 43 23.775 19.926 -6.070 1.00 3.45 C ATOM 675 CD LYS A 43 22.690 20.546 -6.934 1.00 42.01 C ATOM 676 CE LYS A 43 22.136 19.545 -7.936 1.00 21.41 C ATOM 677 NZ LYS A 43 20.925 20.065 -8.628 1.00 54.00 N ATOM 0 H LYS A 43 27.118 18.807 -4.547 1.00 2.30 H new ATOM 0 HA LYS A 43 25.578 18.145 -6.004 1.00 62.22 H new ATOM 0 HB2 LYS A 43 25.571 21.072 -6.263 1.00 75.11 H new ATOM 0 HB3 LYS A 43 25.062 20.280 -7.742 1.00 75.11 H new ATOM 0 HG2 LYS A 43 23.590 18.857 -5.964 1.00 3.45 H new ATOM 0 HG3 LYS A 43 23.735 20.357 -5.070 1.00 3.45 H new ATOM 0 HD2 LYS A 43 21.883 20.912 -6.299 1.00 42.01 H new ATOM 0 HD3 LYS A 43 23.094 21.408 -7.465 1.00 42.01 H new ATOM 0 HE2 LYS A 43 22.902 19.308 -8.674 1.00 21.41 H new ATOM 0 HE3 LYS A 43 21.890 18.616 -7.423 1.00 21.41 H new ATOM 0 HZ1 LYS A 43 20.578 19.353 -9.302 1.00 54.00 H new ATOM 0 HZ2 LYS A 43 20.184 20.267 -7.927 1.00 54.00 H new ATOM 0 HZ3 LYS A 43 21.165 20.938 -9.139 1.00 54.00 H new ATOM 691 N GLU A 44 28.131 18.337 -7.592 1.00 14.23 N ATOM 692 CA GLU A 44 28.911 17.933 -8.756 1.00 13.54 C ATOM 693 C GLU A 44 28.790 16.431 -8.997 1.00 4.51 C ATOM 694 O GLU A 44 28.551 15.990 -10.121 1.00 52.22 O ATOM 695 CB GLU A 44 30.381 18.315 -8.569 1.00 53.04 C ATOM 696 CG GLU A 44 30.598 19.799 -8.326 1.00 42.12 C ATOM 697 CD GLU A 44 30.858 20.568 -9.607 1.00 51.10 C ATOM 698 OE1 GLU A 44 30.084 20.392 -10.571 1.00 54.31 O ATOM 699 OE2 GLU A 44 31.835 21.345 -9.646 1.00 14.04 O ATOM 0 H GLU A 44 28.668 18.406 -6.727 1.00 14.23 H new ATOM 0 HA GLU A 44 28.515 18.456 -9.627 1.00 13.54 H new ATOM 0 HB2 GLU A 44 30.789 17.754 -7.728 1.00 53.04 H new ATOM 0 HB3 GLU A 44 30.941 18.015 -9.454 1.00 53.04 H new ATOM 0 HG2 GLU A 44 29.721 20.214 -7.829 1.00 42.12 H new ATOM 0 HG3 GLU A 44 31.441 19.933 -7.649 1.00 42.12 H new ATOM 706 N ILE A 45 28.959 15.652 -7.934 1.00 10.20 N ATOM 707 CA ILE A 45 28.869 14.201 -8.030 1.00 31.53 C ATOM 708 C ILE A 45 27.454 13.760 -8.389 1.00 12.05 C ATOM 709 O ILE A 45 27.225 12.608 -8.758 1.00 51.10 O ATOM 710 CB ILE A 45 29.287 13.522 -6.712 1.00 11.45 C ATOM 711 CG1 ILE A 45 28.428 14.036 -5.554 1.00 4.02 C ATOM 712 CG2 ILE A 45 30.762 13.769 -6.434 1.00 23.41 C ATOM 713 CD1 ILE A 45 27.124 13.287 -5.390 1.00 25.02 C ATOM 0 H ILE A 45 29.159 16.002 -6.997 1.00 10.20 H new ATOM 0 HA ILE A 45 29.554 13.895 -8.820 1.00 31.53 H new ATOM 0 HB ILE A 45 29.130 12.448 -6.808 1.00 11.45 H new ATOM 0 HG12 ILE A 45 28.999 13.962 -4.628 1.00 4.02 H new ATOM 0 HG13 ILE A 45 28.213 15.093 -5.713 1.00 4.02 H new ATOM 0 HG21 ILE A 45 31.042 13.283 -5.499 1.00 23.41 H new ATOM 0 HG22 ILE A 45 31.359 13.360 -7.249 1.00 23.41 H new ATOM 0 HG23 ILE A 45 30.943 14.841 -6.354 1.00 23.41 H new ATOM 0 HD11 ILE A 45 26.567 13.705 -4.551 1.00 25.02 H new ATOM 0 HD12 ILE A 45 26.533 13.382 -6.301 1.00 25.02 H new ATOM 0 HD13 ILE A 45 27.331 12.234 -5.200 1.00 25.02 H new ATOM 725 N LYS A 46 26.506 14.685 -8.279 1.00 5.20 N ATOM 726 CA LYS A 46 25.113 14.395 -8.595 1.00 12.04 C ATOM 727 C LYS A 46 24.996 13.681 -9.937 1.00 64.04 C ATOM 728 O LYS A 46 24.303 12.671 -10.055 1.00 10.30 O ATOM 729 CB LYS A 46 24.294 15.688 -8.620 1.00 23.23 C ATOM 730 CG LYS A 46 24.106 16.315 -7.249 1.00 53.13 C ATOM 731 CD LYS A 46 23.168 15.491 -6.383 1.00 53.12 C ATOM 732 CE LYS A 46 23.485 15.656 -4.905 1.00 31.01 C ATOM 733 NZ LYS A 46 24.139 14.444 -4.339 1.00 62.45 N ATOM 0 H LYS A 46 26.678 15.643 -7.973 1.00 5.20 H new ATOM 0 HA LYS A 46 24.720 13.738 -7.819 1.00 12.04 H new ATOM 0 HB2 LYS A 46 24.786 16.407 -9.275 1.00 23.23 H new ATOM 0 HB3 LYS A 46 23.315 15.480 -9.053 1.00 23.23 H new ATOM 0 HG2 LYS A 46 25.073 16.407 -6.754 1.00 53.13 H new ATOM 0 HG3 LYS A 46 23.708 17.324 -7.361 1.00 53.13 H new ATOM 0 HD2 LYS A 46 22.138 15.793 -6.571 1.00 53.12 H new ATOM 0 HD3 LYS A 46 23.247 14.439 -6.658 1.00 53.12 H new ATOM 0 HE2 LYS A 46 24.137 16.518 -4.768 1.00 31.01 H new ATOM 0 HE3 LYS A 46 22.565 15.862 -4.357 1.00 31.01 H new ATOM 0 HZ1 LYS A 46 24.926 14.730 -3.722 1.00 62.45 H new ATOM 0 HZ2 LYS A 46 23.445 13.901 -3.786 1.00 62.45 H new ATOM 0 HZ3 LYS A 46 24.503 13.853 -5.113 1.00 62.45 H new ATOM 747 N GLU A 47 25.680 14.212 -10.946 1.00 64.32 N ATOM 748 CA GLU A 47 25.653 13.623 -12.280 1.00 40.41 C ATOM 749 C GLU A 47 25.995 12.137 -12.226 1.00 42.24 C ATOM 750 O GLU A 47 25.390 11.323 -12.925 1.00 4.23 O ATOM 751 CB GLU A 47 26.633 14.351 -13.203 1.00 24.43 C ATOM 752 CG GLU A 47 26.426 14.042 -14.676 1.00 12.10 C ATOM 753 CD GLU A 47 27.508 14.638 -15.555 1.00 41.20 C ATOM 754 OE1 GLU A 47 27.196 15.018 -16.703 1.00 45.22 O ATOM 755 OE2 GLU A 47 28.666 14.725 -15.095 1.00 71.45 O ATOM 0 H GLU A 47 26.259 15.048 -10.865 1.00 64.32 H new ATOM 0 HA GLU A 47 24.643 13.731 -12.677 1.00 40.41 H new ATOM 0 HB2 GLU A 47 26.534 15.425 -13.049 1.00 24.43 H new ATOM 0 HB3 GLU A 47 27.651 14.081 -12.923 1.00 24.43 H new ATOM 0 HG2 GLU A 47 26.403 12.961 -14.817 1.00 12.10 H new ATOM 0 HG3 GLU A 47 25.455 14.425 -14.991 1.00 12.10 H new ATOM 762 N LYS A 48 26.970 11.790 -11.393 1.00 12.44 N ATOM 763 CA LYS A 48 27.394 10.403 -11.245 1.00 51.14 C ATOM 764 C LYS A 48 26.200 9.496 -10.967 1.00 31.25 C ATOM 765 O LYS A 48 25.987 8.502 -11.662 1.00 31.53 O ATOM 766 CB LYS A 48 28.418 10.278 -10.115 1.00 13.52 C ATOM 767 CG LYS A 48 29.576 11.255 -10.232 1.00 74.53 C ATOM 768 CD LYS A 48 30.910 10.531 -10.297 1.00 3.21 C ATOM 769 CE LYS A 48 31.981 11.394 -10.947 1.00 71.01 C ATOM 770 NZ LYS A 48 33.203 10.609 -11.274 1.00 24.34 N ATOM 0 H LYS A 48 27.482 12.451 -10.809 1.00 12.44 H new ATOM 0 HA LYS A 48 27.856 10.089 -12.181 1.00 51.14 H new ATOM 0 HB2 LYS A 48 27.915 10.436 -9.161 1.00 13.52 H new ATOM 0 HB3 LYS A 48 28.811 9.261 -10.103 1.00 13.52 H new ATOM 0 HG2 LYS A 48 29.449 11.867 -11.125 1.00 74.53 H new ATOM 0 HG3 LYS A 48 29.570 11.933 -9.378 1.00 74.53 H new ATOM 0 HD2 LYS A 48 31.225 10.255 -9.291 1.00 3.21 H new ATOM 0 HD3 LYS A 48 30.796 9.605 -10.861 1.00 3.21 H new ATOM 0 HE2 LYS A 48 31.583 11.842 -11.857 1.00 71.01 H new ATOM 0 HE3 LYS A 48 32.244 12.213 -10.277 1.00 71.01 H new ATOM 0 HZ1 LYS A 48 33.909 11.233 -11.715 1.00 24.34 H new ATOM 0 HZ2 LYS A 48 33.598 10.202 -10.402 1.00 24.34 H new ATOM 0 HZ3 LYS A 48 32.958 9.843 -11.933 1.00 24.34 H new ATOM 784 N LEU A 49 25.423 9.845 -9.947 1.00 21.31 N ATOM 785 CA LEU A 49 24.249 9.062 -9.577 1.00 53.31 C ATOM 786 C LEU A 49 23.170 9.158 -10.652 1.00 24.42 C ATOM 787 O LEU A 49 22.419 8.209 -10.879 1.00 10.12 O ATOM 788 CB LEU A 49 23.692 9.544 -8.236 1.00 62.11 C ATOM 789 CG LEU A 49 22.628 8.655 -7.593 1.00 33.52 C ATOM 790 CD1 LEU A 49 23.253 7.376 -7.056 1.00 42.25 C ATOM 791 CD2 LEU A 49 21.906 9.404 -6.482 1.00 44.22 C ATOM 0 H LEU A 49 25.585 10.665 -9.362 1.00 21.31 H new ATOM 0 HA LEU A 49 24.553 8.019 -9.484 1.00 53.31 H new ATOM 0 HB2 LEU A 49 24.522 9.647 -7.537 1.00 62.11 H new ATOM 0 HB3 LEU A 49 23.269 10.539 -8.377 1.00 62.11 H new ATOM 0 HG LEU A 49 21.898 8.386 -8.357 1.00 33.52 H new ATOM 0 HD11 LEU A 49 22.480 6.756 -6.602 1.00 42.25 H new ATOM 0 HD12 LEU A 49 23.723 6.829 -7.874 1.00 42.25 H new ATOM 0 HD13 LEU A 49 24.005 7.625 -6.307 1.00 42.25 H new ATOM 0 HD21 LEU A 49 21.152 8.755 -6.036 1.00 44.22 H new ATOM 0 HD22 LEU A 49 22.624 9.704 -5.719 1.00 44.22 H new ATOM 0 HD23 LEU A 49 21.424 10.290 -6.894 1.00 44.22 H new ATOM 803 N LYS A 50 23.101 10.308 -11.313 1.00 1.35 N ATOM 804 CA LYS A 50 22.118 10.528 -12.366 1.00 73.25 C ATOM 805 C LYS A 50 22.353 9.578 -13.537 1.00 2.23 C ATOM 806 O LYS A 50 21.409 9.024 -14.100 1.00 30.44 O ATOM 807 CB LYS A 50 22.176 11.978 -12.853 1.00 20.33 C ATOM 808 CG LYS A 50 20.815 12.560 -13.195 1.00 24.32 C ATOM 809 CD LYS A 50 20.452 13.709 -12.270 1.00 42.51 C ATOM 810 CE LYS A 50 20.877 15.049 -12.853 1.00 33.22 C ATOM 811 NZ LYS A 50 19.790 16.063 -12.760 1.00 44.23 N ATOM 0 H LYS A 50 23.715 11.103 -11.138 1.00 1.35 H new ATOM 0 HA LYS A 50 21.129 10.330 -11.952 1.00 73.25 H new ATOM 0 HB2 LYS A 50 22.641 12.593 -12.083 1.00 20.33 H new ATOM 0 HB3 LYS A 50 22.816 12.031 -13.734 1.00 20.33 H new ATOM 0 HG2 LYS A 50 20.817 12.909 -14.227 1.00 24.32 H new ATOM 0 HG3 LYS A 50 20.056 11.780 -13.124 1.00 24.32 H new ATOM 0 HD2 LYS A 50 19.376 13.711 -12.096 1.00 42.51 H new ATOM 0 HD3 LYS A 50 20.931 13.564 -11.302 1.00 42.51 H new ATOM 0 HE2 LYS A 50 21.759 15.412 -12.325 1.00 33.22 H new ATOM 0 HE3 LYS A 50 21.163 14.917 -13.897 1.00 33.22 H new ATOM 0 HZ1 LYS A 50 20.118 16.962 -13.167 1.00 44.23 H new ATOM 0 HZ2 LYS A 50 18.957 15.728 -13.285 1.00 44.23 H new ATOM 0 HZ3 LYS A 50 19.535 16.208 -11.762 1.00 44.23 H new ATOM 825 N LYS A 51 23.619 9.394 -13.898 1.00 35.13 N ATOM 826 CA LYS A 51 23.979 8.509 -14.999 1.00 43.11 C ATOM 827 C LYS A 51 23.712 7.052 -14.636 1.00 71.23 C ATOM 828 O LYS A 51 23.384 6.237 -15.500 1.00 33.35 O ATOM 829 CB LYS A 51 25.454 8.692 -15.366 1.00 12.25 C ATOM 830 CG LYS A 51 25.671 9.174 -16.789 1.00 64.15 C ATOM 831 CD LYS A 51 27.013 9.870 -16.944 1.00 2.13 C ATOM 832 CE LYS A 51 26.841 11.352 -17.240 1.00 44.11 C ATOM 833 NZ LYS A 51 26.419 11.591 -18.648 1.00 63.21 N ATOM 0 H LYS A 51 24.412 9.846 -13.444 1.00 35.13 H new ATOM 0 HA LYS A 51 23.361 8.770 -15.858 1.00 43.11 H new ATOM 0 HB2 LYS A 51 25.905 9.406 -14.677 1.00 12.25 H new ATOM 0 HB3 LYS A 51 25.974 7.744 -15.229 1.00 12.25 H new ATOM 0 HG2 LYS A 51 25.618 8.327 -17.473 1.00 64.15 H new ATOM 0 HG3 LYS A 51 24.870 9.859 -17.068 1.00 64.15 H new ATOM 0 HD2 LYS A 51 27.596 9.745 -16.032 1.00 2.13 H new ATOM 0 HD3 LYS A 51 27.577 9.400 -17.750 1.00 2.13 H new ATOM 0 HE2 LYS A 51 26.099 11.774 -16.562 1.00 44.11 H new ATOM 0 HE3 LYS A 51 27.780 11.872 -17.049 1.00 44.11 H new ATOM 0 HZ1 LYS A 51 26.313 12.613 -18.810 1.00 63.21 H new ATOM 0 HZ2 LYS A 51 27.139 11.211 -19.295 1.00 63.21 H new ATOM 0 HZ3 LYS A 51 25.510 11.116 -18.823 1.00 63.21 H new ATOM 847 N LEU A 52 23.853 6.731 -13.355 1.00 72.51 N ATOM 848 CA LEU A 52 23.625 5.371 -12.878 1.00 12.03 C ATOM 849 C LEU A 52 22.218 4.898 -13.231 1.00 43.53 C ATOM 850 O LEU A 52 21.953 3.698 -13.290 1.00 55.41 O ATOM 851 CB LEU A 52 23.834 5.299 -11.364 1.00 52.20 C ATOM 852 CG LEU A 52 23.508 3.959 -10.704 1.00 61.23 C ATOM 853 CD1 LEU A 52 24.578 3.590 -9.689 1.00 21.15 C ATOM 854 CD2 LEU A 52 22.138 4.008 -10.044 1.00 51.04 C ATOM 0 H LEU A 52 24.124 7.393 -12.628 1.00 72.51 H new ATOM 0 HA LEU A 52 24.343 4.715 -13.370 1.00 12.03 H new ATOM 0 HB2 LEU A 52 24.874 5.543 -11.149 1.00 52.20 H new ATOM 0 HB3 LEU A 52 23.222 6.070 -10.896 1.00 52.20 H new ATOM 0 HG LEU A 52 23.489 3.191 -11.477 1.00 61.23 H new ATOM 0 HD11 LEU A 52 24.329 2.633 -9.229 1.00 21.15 H new ATOM 0 HD12 LEU A 52 25.543 3.512 -10.190 1.00 21.15 H new ATOM 0 HD13 LEU A 52 24.630 4.360 -8.919 1.00 21.15 H new ATOM 0 HD21 LEU A 52 21.923 3.046 -9.580 1.00 51.04 H new ATOM 0 HD22 LEU A 52 22.128 4.788 -9.283 1.00 51.04 H new ATOM 0 HD23 LEU A 52 21.379 4.225 -10.796 1.00 51.04 H new ATOM 866 N ALA A 53 21.322 5.851 -13.468 1.00 32.41 N ATOM 867 CA ALA A 53 19.944 5.532 -13.820 1.00 72.32 C ATOM 868 C ALA A 53 19.888 4.561 -14.995 1.00 30.12 C ATOM 869 O ALA A 53 18.928 3.804 -15.141 1.00 5.52 O ATOM 870 CB ALA A 53 19.175 6.803 -14.147 1.00 12.31 C ATOM 0 H ALA A 53 21.526 6.849 -13.423 1.00 32.41 H new ATOM 0 HA ALA A 53 19.478 5.049 -12.961 1.00 72.32 H new ATOM 0 HB1 ALA A 53 18.148 6.550 -14.408 1.00 12.31 H new ATOM 0 HB2 ALA A 53 19.177 7.463 -13.279 1.00 12.31 H new ATOM 0 HB3 ALA A 53 19.649 7.309 -14.988 1.00 12.31 H new ATOM 876 N GLU A 54 20.922 4.589 -15.829 1.00 63.24 N ATOM 877 CA GLU A 54 20.989 3.711 -16.992 1.00 54.31 C ATOM 878 C GLU A 54 21.438 2.309 -16.591 1.00 2.42 C ATOM 879 O GLU A 54 20.985 1.316 -17.158 1.00 64.30 O ATOM 880 CB GLU A 54 21.946 4.286 -18.038 1.00 60.24 C ATOM 881 CG GLU A 54 21.925 3.535 -19.359 1.00 44.44 C ATOM 882 CD GLU A 54 21.506 4.413 -20.523 1.00 4.34 C ATOM 883 OE1 GLU A 54 22.138 4.316 -21.596 1.00 11.32 O ATOM 884 OE2 GLU A 54 20.548 5.197 -20.360 1.00 41.11 O ATOM 0 H GLU A 54 21.724 5.209 -15.722 1.00 63.24 H new ATOM 0 HA GLU A 54 19.990 3.644 -17.422 1.00 54.31 H new ATOM 0 HB2 GLU A 54 21.689 5.330 -18.219 1.00 60.24 H new ATOM 0 HB3 GLU A 54 22.960 4.272 -17.638 1.00 60.24 H new ATOM 0 HG2 GLU A 54 22.916 3.126 -19.556 1.00 44.44 H new ATOM 0 HG3 GLU A 54 21.241 2.690 -19.281 1.00 44.44 H new ATOM 891 N GLU A 55 22.332 2.239 -15.609 1.00 41.14 N ATOM 892 CA GLU A 55 22.844 0.959 -15.133 1.00 51.44 C ATOM 893 C GLU A 55 21.721 0.109 -14.546 1.00 22.01 C ATOM 894 O GLU A 55 21.709 -1.113 -14.697 1.00 55.23 O ATOM 895 CB GLU A 55 23.935 1.180 -14.083 1.00 75.11 C ATOM 896 CG GLU A 55 23.994 0.087 -13.029 1.00 10.43 C ATOM 897 CD GLU A 55 25.234 0.181 -12.161 1.00 63.43 C ATOM 898 OE1 GLU A 55 25.314 1.118 -11.340 1.00 12.11 O ATOM 899 OE2 GLU A 55 26.125 -0.683 -12.304 1.00 12.13 O ATOM 0 H GLU A 55 22.716 3.053 -15.128 1.00 41.14 H new ATOM 0 HA GLU A 55 23.271 0.428 -15.983 1.00 51.44 H new ATOM 0 HB2 GLU A 55 24.901 1.244 -14.583 1.00 75.11 H new ATOM 0 HB3 GLU A 55 23.766 2.138 -13.592 1.00 75.11 H new ATOM 0 HG2 GLU A 55 23.108 0.148 -12.398 1.00 10.43 H new ATOM 0 HG3 GLU A 55 23.971 -0.887 -13.519 1.00 10.43 H new ATOM 906 N PHE A 56 20.780 0.764 -13.874 1.00 41.24 N ATOM 907 CA PHE A 56 19.654 0.069 -13.262 1.00 54.43 C ATOM 908 C PHE A 56 18.458 1.004 -13.106 1.00 53.24 C ATOM 909 O PHE A 56 18.123 1.447 -12.007 1.00 50.25 O ATOM 910 CB PHE A 56 20.055 -0.495 -11.898 1.00 4.10 C ATOM 911 CG PHE A 56 19.119 -1.552 -11.387 1.00 53.00 C ATOM 912 CD1 PHE A 56 18.724 -2.600 -12.203 1.00 2.11 C ATOM 913 CD2 PHE A 56 18.632 -1.497 -10.091 1.00 22.33 C ATOM 914 CE1 PHE A 56 17.863 -3.575 -11.736 1.00 15.43 C ATOM 915 CE2 PHE A 56 17.771 -2.469 -9.618 1.00 32.11 C ATOM 916 CZ PHE A 56 17.384 -3.508 -10.442 1.00 25.32 C ATOM 0 H PHE A 56 20.775 1.775 -13.740 1.00 41.24 H new ATOM 0 HA PHE A 56 19.368 -0.754 -13.917 1.00 54.43 H new ATOM 0 HB2 PHE A 56 21.059 -0.913 -11.968 1.00 4.10 H new ATOM 0 HB3 PHE A 56 20.099 0.320 -11.176 1.00 4.10 H new ATOM 0 HD1 PHE A 56 19.093 -2.656 -13.216 1.00 2.11 H new ATOM 0 HD2 PHE A 56 18.929 -0.685 -9.443 1.00 22.33 H new ATOM 0 HE1 PHE A 56 17.565 -4.388 -12.382 1.00 15.43 H new ATOM 0 HE2 PHE A 56 17.401 -2.416 -8.605 1.00 32.11 H new ATOM 0 HZ PHE A 56 16.708 -4.266 -10.075 1.00 25.32 H new ATOM 926 N PRO A 57 17.798 1.312 -14.233 1.00 14.54 N ATOM 927 CA PRO A 57 16.629 2.197 -14.248 1.00 50.32 C ATOM 928 C PRO A 57 15.410 1.559 -13.592 1.00 74.31 C ATOM 929 O PRO A 57 14.388 2.215 -13.387 1.00 24.13 O ATOM 930 CB PRO A 57 16.376 2.424 -15.741 1.00 12.23 C ATOM 931 CG PRO A 57 16.956 1.226 -16.410 1.00 3.52 C ATOM 932 CD PRO A 57 18.141 0.821 -15.577 1.00 61.44 C ATOM 0 HA PRO A 57 16.805 3.115 -13.687 1.00 50.32 H new ATOM 0 HB2 PRO A 57 15.311 2.518 -15.952 1.00 12.23 H new ATOM 0 HB3 PRO A 57 16.852 3.341 -16.088 1.00 12.23 H new ATOM 0 HG2 PRO A 57 16.225 0.419 -16.468 1.00 3.52 H new ATOM 0 HG3 PRO A 57 17.258 1.457 -17.432 1.00 3.52 H new ATOM 0 HD2 PRO A 57 18.287 -0.259 -15.585 1.00 61.44 H new ATOM 0 HD3 PRO A 57 19.063 1.270 -15.945 1.00 61.44 H new ATOM 940 N ASP A 58 15.523 0.276 -13.265 1.00 43.21 N ATOM 941 CA ASP A 58 14.430 -0.451 -12.630 1.00 40.14 C ATOM 942 C ASP A 58 14.219 0.028 -11.197 1.00 72.34 C ATOM 943 O ASP A 58 13.137 -0.132 -10.631 1.00 43.04 O ATOM 944 CB ASP A 58 14.714 -1.954 -12.643 1.00 14.22 C ATOM 945 CG ASP A 58 14.076 -2.673 -11.470 1.00 51.04 C ATOM 946 OD1 ASP A 58 14.636 -2.605 -10.356 1.00 42.21 O ATOM 947 OD2 ASP A 58 13.016 -3.303 -11.667 1.00 22.31 O ATOM 0 H ASP A 58 16.361 -0.282 -13.429 1.00 43.21 H new ATOM 0 HA ASP A 58 13.519 -0.257 -13.196 1.00 40.14 H new ATOM 0 HB2 ASP A 58 14.343 -2.383 -13.574 1.00 14.22 H new ATOM 0 HB3 ASP A 58 15.791 -2.118 -12.624 1.00 14.22 H new ATOM 952 N VAL A 59 15.260 0.615 -10.615 1.00 71.53 N ATOM 953 CA VAL A 59 15.189 1.116 -9.248 1.00 52.42 C ATOM 954 C VAL A 59 14.807 2.592 -9.224 1.00 13.12 C ATOM 955 O VAL A 59 15.058 3.325 -10.181 1.00 20.14 O ATOM 956 CB VAL A 59 16.529 0.932 -8.512 1.00 43.33 C ATOM 957 CG1 VAL A 59 17.593 1.845 -9.103 1.00 12.40 C ATOM 958 CG2 VAL A 59 16.359 1.192 -7.023 1.00 40.01 C ATOM 0 H VAL A 59 16.162 0.755 -11.069 1.00 71.53 H new ATOM 0 HA VAL A 59 14.421 0.536 -8.737 1.00 52.42 H new ATOM 0 HB VAL A 59 16.856 -0.099 -8.642 1.00 43.33 H new ATOM 0 HG11 VAL A 59 18.533 1.701 -8.570 1.00 12.40 H new ATOM 0 HG12 VAL A 59 17.733 1.606 -10.157 1.00 12.40 H new ATOM 0 HG13 VAL A 59 17.276 2.883 -9.006 1.00 12.40 H new ATOM 0 HG21 VAL A 59 17.316 1.057 -6.519 1.00 40.01 H new ATOM 0 HG22 VAL A 59 16.008 2.213 -6.870 1.00 40.01 H new ATOM 0 HG23 VAL A 59 15.631 0.493 -6.612 1.00 40.01 H new ATOM 968 N ASP A 60 14.198 3.022 -8.124 1.00 25.32 N ATOM 969 CA ASP A 60 13.782 4.411 -7.973 1.00 45.32 C ATOM 970 C ASP A 60 14.872 5.234 -7.293 1.00 43.22 C ATOM 971 O ASP A 60 15.354 4.877 -6.218 1.00 35.53 O ATOM 972 CB ASP A 60 12.486 4.493 -7.166 1.00 51.31 C ATOM 973 CG ASP A 60 12.269 5.864 -6.557 1.00 11.42 C ATOM 974 OD1 ASP A 60 11.761 5.934 -5.418 1.00 5.44 O ATOM 975 OD2 ASP A 60 12.607 6.868 -7.219 1.00 22.42 O ATOM 0 H ASP A 60 13.982 2.428 -7.324 1.00 25.32 H new ATOM 0 HA ASP A 60 13.608 4.822 -8.967 1.00 45.32 H new ATOM 0 HB2 ASP A 60 11.643 4.248 -7.812 1.00 51.31 H new ATOM 0 HB3 ASP A 60 12.507 3.746 -6.373 1.00 51.31 H new ATOM 980 N ILE A 61 15.257 6.336 -7.928 1.00 3.21 N ATOM 981 CA ILE A 61 16.290 7.209 -7.384 1.00 1.10 C ATOM 982 C ILE A 61 15.790 8.645 -7.264 1.00 74.51 C ATOM 983 O ILE A 61 15.634 9.344 -8.265 1.00 53.31 O ATOM 984 CB ILE A 61 17.559 7.191 -8.256 1.00 43.02 C ATOM 985 CG1 ILE A 61 17.888 5.760 -8.687 1.00 52.24 C ATOM 986 CG2 ILE A 61 18.729 7.804 -7.502 1.00 3.53 C ATOM 987 CD1 ILE A 61 17.546 5.471 -10.132 1.00 43.03 C ATOM 0 H ILE A 61 14.869 6.645 -8.819 1.00 3.21 H new ATOM 0 HA ILE A 61 16.535 6.828 -6.393 1.00 1.10 H new ATOM 0 HB ILE A 61 17.376 7.787 -9.150 1.00 43.02 H new ATOM 0 HG12 ILE A 61 18.951 5.577 -8.530 1.00 52.24 H new ATOM 0 HG13 ILE A 61 17.347 5.063 -8.047 1.00 52.24 H new ATOM 0 HG21 ILE A 61 19.618 7.784 -8.132 1.00 3.53 H new ATOM 0 HG22 ILE A 61 18.493 8.835 -7.240 1.00 3.53 H new ATOM 0 HG23 ILE A 61 18.915 7.233 -6.593 1.00 3.53 H new ATOM 0 HD11 ILE A 61 17.806 4.439 -10.368 1.00 43.03 H new ATOM 0 HD12 ILE A 61 16.478 5.622 -10.290 1.00 43.03 H new ATOM 0 HD13 ILE A 61 18.107 6.144 -10.780 1.00 43.03 H new ATOM 999 N TYR A 62 15.541 9.078 -6.033 1.00 61.43 N ATOM 1000 CA TYR A 62 15.058 10.430 -5.782 1.00 34.01 C ATOM 1001 C TYR A 62 15.900 11.120 -4.713 1.00 32.30 C ATOM 1002 O TYR A 62 16.574 10.464 -3.918 1.00 21.13 O ATOM 1003 CB TYR A 62 13.591 10.398 -5.349 1.00 71.41 C ATOM 1004 CG TYR A 62 13.393 9.976 -3.910 1.00 42.44 C ATOM 1005 CD1 TYR A 62 13.642 8.670 -3.508 1.00 70.33 C ATOM 1006 CD2 TYR A 62 12.957 10.884 -2.954 1.00 10.34 C ATOM 1007 CE1 TYR A 62 13.462 8.280 -2.195 1.00 42.02 C ATOM 1008 CE2 TYR A 62 12.776 10.504 -1.638 1.00 71.10 C ATOM 1009 CZ TYR A 62 13.030 9.201 -1.264 1.00 35.22 C ATOM 1010 OH TYR A 62 12.849 8.818 0.045 1.00 30.55 O ATOM 0 H TYR A 62 15.666 8.512 -5.194 1.00 61.43 H new ATOM 0 HA TYR A 62 15.144 10.997 -6.709 1.00 34.01 H new ATOM 0 HB2 TYR A 62 13.157 11.388 -5.491 1.00 71.41 H new ATOM 0 HB3 TYR A 62 13.044 9.714 -5.998 1.00 71.41 H new ATOM 0 HD1 TYR A 62 13.982 7.947 -4.234 1.00 70.33 H new ATOM 0 HD2 TYR A 62 12.756 11.905 -3.244 1.00 10.34 H new ATOM 0 HE1 TYR A 62 13.658 7.260 -1.899 1.00 42.02 H new ATOM 0 HE2 TYR A 62 12.438 11.223 -0.907 1.00 71.10 H new ATOM 0 HH TYR A 62 12.543 9.586 0.571 1.00 30.55 H new ATOM 1020 N LEU A 63 15.856 12.447 -4.700 1.00 55.30 N ATOM 1021 CA LEU A 63 16.613 13.229 -3.729 1.00 24.33 C ATOM 1022 C LEU A 63 15.679 14.021 -2.820 1.00 5.04 C ATOM 1023 O LEU A 63 14.578 14.398 -3.220 1.00 42.13 O ATOM 1024 CB LEU A 63 17.573 14.180 -4.447 1.00 33.53 C ATOM 1025 CG LEU A 63 18.901 13.575 -4.904 1.00 35.52 C ATOM 1026 CD1 LEU A 63 18.753 12.939 -6.278 1.00 12.05 C ATOM 1027 CD2 LEU A 63 19.992 14.634 -4.919 1.00 44.41 C ATOM 0 H LEU A 63 15.304 13.005 -5.351 1.00 55.30 H new ATOM 0 HA LEU A 63 17.189 12.538 -3.113 1.00 24.33 H new ATOM 0 HB2 LEU A 63 17.063 14.588 -5.320 1.00 33.53 H new ATOM 0 HB3 LEU A 63 17.788 15.017 -3.783 1.00 33.53 H new ATOM 0 HG LEU A 63 19.187 12.798 -4.196 1.00 35.52 H new ATOM 0 HD11 LEU A 63 19.708 12.514 -6.587 1.00 12.05 H new ATOM 0 HD12 LEU A 63 18.002 12.151 -6.235 1.00 12.05 H new ATOM 0 HD13 LEU A 63 18.443 13.696 -6.998 1.00 12.05 H new ATOM 0 HD21 LEU A 63 20.930 14.186 -5.247 1.00 44.41 H new ATOM 0 HD22 LEU A 63 19.713 15.434 -5.605 1.00 44.41 H new ATOM 0 HD23 LEU A 63 20.116 15.043 -3.916 1.00 44.41 H new ATOM 1039 N VAL A 64 16.128 14.272 -1.594 1.00 13.24 N ATOM 1040 CA VAL A 64 15.334 15.023 -0.628 1.00 71.12 C ATOM 1041 C VAL A 64 16.121 16.202 -0.067 1.00 63.24 C ATOM 1042 O VAL A 64 17.316 16.089 0.207 1.00 42.22 O ATOM 1043 CB VAL A 64 14.873 14.127 0.537 1.00 53.12 C ATOM 1044 CG1 VAL A 64 13.896 14.875 1.432 1.00 42.14 C ATOM 1045 CG2 VAL A 64 14.249 12.845 0.007 1.00 34.35 C ATOM 0 H VAL A 64 17.037 13.966 -1.246 1.00 13.24 H new ATOM 0 HA VAL A 64 14.458 15.395 -1.160 1.00 71.12 H new ATOM 0 HB VAL A 64 15.745 13.860 1.135 1.00 53.12 H new ATOM 0 HG11 VAL A 64 13.581 14.226 2.249 1.00 42.14 H new ATOM 0 HG12 VAL A 64 14.381 15.762 1.839 1.00 42.14 H new ATOM 0 HG13 VAL A 64 13.024 15.173 0.850 1.00 42.14 H new ATOM 0 HG21 VAL A 64 13.929 12.223 0.843 1.00 34.35 H new ATOM 0 HG22 VAL A 64 13.387 13.090 -0.614 1.00 34.35 H new ATOM 0 HG23 VAL A 64 14.983 12.302 -0.588 1.00 34.35 H new ATOM 1055 N ASP A 65 15.444 17.332 0.101 1.00 72.10 N ATOM 1056 CA ASP A 65 16.079 18.533 0.631 1.00 24.30 C ATOM 1057 C ASP A 65 16.213 18.452 2.149 1.00 51.14 C ATOM 1058 O ASP A 65 15.439 17.764 2.816 1.00 44.04 O ATOM 1059 CB ASP A 65 15.276 19.775 0.242 1.00 31.35 C ATOM 1060 CG ASP A 65 13.792 19.609 0.502 1.00 75.41 C ATOM 1061 OD1 ASP A 65 13.150 18.810 -0.212 1.00 72.33 O ATOM 1062 OD2 ASP A 65 13.272 20.277 1.420 1.00 73.33 O ATOM 0 H ASP A 65 14.455 17.442 -0.122 1.00 72.10 H new ATOM 0 HA ASP A 65 17.077 18.607 0.200 1.00 24.30 H new ATOM 0 HB2 ASP A 65 15.646 20.634 0.802 1.00 31.35 H new ATOM 0 HB3 ASP A 65 15.435 19.991 -0.815 1.00 31.35 H new ATOM 1067 N THR A 66 17.200 19.159 2.689 1.00 4.32 N ATOM 1068 CA THR A 66 17.437 19.166 4.127 1.00 0.32 C ATOM 1069 C THR A 66 16.400 20.018 4.851 1.00 63.11 C ATOM 1070 O THR A 66 16.252 19.930 6.070 1.00 70.33 O ATOM 1071 CB THR A 66 18.844 19.696 4.462 1.00 21.24 C ATOM 1072 OG1 THR A 66 19.589 19.904 3.257 1.00 23.44 O ATOM 1073 CG2 THR A 66 19.588 18.722 5.363 1.00 24.23 C ATOM 0 H THR A 66 17.849 19.735 2.152 1.00 4.32 H new ATOM 0 HA THR A 66 17.356 18.133 4.466 1.00 0.32 H new ATOM 0 HB THR A 66 18.736 20.644 4.989 1.00 21.24 H new ATOM 0 HG1 THR A 66 19.626 20.863 3.056 1.00 23.44 H new ATOM 0 HG21 THR A 66 20.579 19.117 5.586 1.00 24.23 H new ATOM 0 HG22 THR A 66 19.033 18.589 6.292 1.00 24.23 H new ATOM 0 HG23 THR A 66 19.686 17.761 4.858 1.00 24.23 H new ATOM 1081 N SER A 67 15.684 20.842 4.093 1.00 64.05 N ATOM 1082 CA SER A 67 14.663 21.712 4.663 1.00 52.32 C ATOM 1083 C SER A 67 13.391 20.928 4.969 1.00 15.15 C ATOM 1084 O SER A 67 12.629 21.283 5.870 1.00 3.20 O ATOM 1085 CB SER A 67 14.348 22.862 3.703 1.00 23.33 C ATOM 1086 OG SER A 67 14.073 24.057 4.413 1.00 41.35 O ATOM 0 H SER A 67 15.792 20.925 3.082 1.00 64.05 H new ATOM 0 HA SER A 67 15.050 22.122 5.596 1.00 52.32 H new ATOM 0 HB2 SER A 67 15.191 23.020 3.031 1.00 23.33 H new ATOM 0 HB3 SER A 67 13.491 22.598 3.083 1.00 23.33 H new ATOM 0 HG SER A 67 13.877 24.777 3.778 1.00 41.35 H new ATOM 1092 N THR A 68 13.166 19.858 4.213 1.00 14.12 N ATOM 1093 CA THR A 68 11.986 19.023 4.402 1.00 50.23 C ATOM 1094 C THR A 68 12.176 18.059 5.567 1.00 74.42 C ATOM 1095 O THR A 68 11.211 17.493 6.080 1.00 50.31 O ATOM 1096 CB THR A 68 11.659 18.217 3.130 1.00 24.05 C ATOM 1097 OG1 THR A 68 12.870 17.847 2.461 1.00 74.23 O ATOM 1098 CG2 THR A 68 10.779 19.025 2.189 1.00 62.33 C ATOM 0 H THR A 68 13.786 19.549 3.464 1.00 14.12 H new ATOM 0 HA THR A 68 11.155 19.694 4.621 1.00 50.23 H new ATOM 0 HB THR A 68 11.118 17.318 3.424 1.00 24.05 H new ATOM 0 HG1 THR A 68 13.562 17.645 3.125 1.00 74.23 H new ATOM 0 HG21 THR A 68 10.561 18.436 1.298 1.00 62.33 H new ATOM 0 HG22 THR A 68 9.846 19.280 2.692 1.00 62.33 H new ATOM 0 HG23 THR A 68 11.298 19.939 1.901 1.00 62.33 H new ATOM 1106 N ASN A 69 13.425 17.876 5.980 1.00 24.32 N ATOM 1107 CA ASN A 69 13.741 16.979 7.086 1.00 22.20 C ATOM 1108 C ASN A 69 14.751 17.618 8.034 1.00 0.50 C ATOM 1109 O ASN A 69 15.883 17.156 8.179 1.00 11.21 O ATOM 1110 CB ASN A 69 14.292 15.654 6.554 1.00 1.22 C ATOM 1111 CG ASN A 69 15.121 15.836 5.297 1.00 20.33 C ATOM 1112 OD1 ASN A 69 14.612 15.717 4.182 1.00 4.15 O ATOM 1113 ND2 ASN A 69 16.405 16.125 5.472 1.00 22.13 N ATOM 0 H ASN A 69 14.235 18.337 5.566 1.00 24.32 H new ATOM 0 HA ASN A 69 12.821 16.787 7.639 1.00 22.20 H new ATOM 0 HB2 ASN A 69 14.903 15.182 7.324 1.00 1.22 H new ATOM 0 HB3 ASN A 69 13.464 14.977 6.345 1.00 1.22 H new ATOM 0 HD21 ASN A 69 17.013 16.258 4.664 1.00 22.13 H new ATOM 0 HD22 ASN A 69 16.784 16.214 6.415 1.00 22.13 H new ATOM 1120 N PRO A 70 14.333 18.708 8.696 1.00 24.30 N ATOM 1121 CA PRO A 70 15.185 19.434 9.643 1.00 63.24 C ATOM 1122 C PRO A 70 15.445 18.638 10.917 1.00 14.23 C ATOM 1123 O PRO A 70 16.575 18.571 11.398 1.00 63.42 O ATOM 1124 CB PRO A 70 14.375 20.694 9.954 1.00 12.35 C ATOM 1125 CG PRO A 70 12.959 20.307 9.701 1.00 71.42 C ATOM 1126 CD PRO A 70 12.997 19.314 8.572 1.00 42.01 C ATOM 0 HA PRO A 70 16.173 19.638 9.230 1.00 63.24 H new ATOM 0 HB2 PRO A 70 14.520 21.013 10.986 1.00 12.35 H new ATOM 0 HB3 PRO A 70 14.678 21.526 9.318 1.00 12.35 H new ATOM 0 HG2 PRO A 70 12.509 19.868 10.592 1.00 71.42 H new ATOM 0 HG3 PRO A 70 12.358 21.177 9.436 1.00 71.42 H new ATOM 0 HD2 PRO A 70 12.207 18.569 8.666 1.00 42.01 H new ATOM 0 HD3 PRO A 70 12.864 19.799 7.605 1.00 42.01 H new ATOM 1134 N GLU A 71 14.390 18.037 11.459 1.00 12.34 N ATOM 1135 CA GLU A 71 14.505 17.247 12.679 1.00 22.41 C ATOM 1136 C GLU A 71 14.934 15.817 12.362 1.00 23.11 C ATOM 1137 O GLU A 71 15.631 15.178 13.150 1.00 62.23 O ATOM 1138 CB GLU A 71 13.174 17.236 13.434 1.00 23.30 C ATOM 1139 CG GLU A 71 12.910 18.509 14.220 1.00 71.00 C ATOM 1140 CD GLU A 71 12.887 18.276 15.718 1.00 22.31 C ATOM 1141 OE1 GLU A 71 13.881 17.736 16.249 1.00 74.11 O ATOM 1142 OE2 GLU A 71 11.877 18.632 16.359 1.00 11.24 O ATOM 0 H GLU A 71 13.447 18.082 11.073 1.00 12.34 H new ATOM 0 HA GLU A 71 15.267 17.706 13.308 1.00 22.41 H new ATOM 0 HB2 GLU A 71 12.363 17.084 12.722 1.00 23.30 H new ATOM 0 HB3 GLU A 71 13.161 16.387 14.118 1.00 23.30 H new ATOM 0 HG2 GLU A 71 13.679 19.244 13.982 1.00 71.00 H new ATOM 0 HG3 GLU A 71 11.956 18.933 13.907 1.00 71.00 H new ATOM 1149 N ALA A 72 14.512 15.322 11.203 1.00 21.23 N ATOM 1150 CA ALA A 72 14.853 13.969 10.781 1.00 43.22 C ATOM 1151 C ALA A 72 16.355 13.724 10.883 1.00 11.33 C ATOM 1152 O ALA A 72 16.792 12.630 11.239 1.00 61.21 O ATOM 1153 CB ALA A 72 14.372 13.723 9.358 1.00 3.44 C ATOM 0 H ALA A 72 13.934 15.838 10.540 1.00 21.23 H new ATOM 0 HA ALA A 72 14.351 13.269 11.449 1.00 43.22 H new ATOM 0 HB1 ALA A 72 14.633 12.709 9.056 1.00 3.44 H new ATOM 0 HB2 ALA A 72 13.290 13.848 9.313 1.00 3.44 H new ATOM 0 HB3 ALA A 72 14.848 14.436 8.685 1.00 3.44 H new ATOM 1159 N ARG A 73 17.140 14.750 10.569 1.00 72.32 N ATOM 1160 CA ARG A 73 18.593 14.645 10.624 1.00 72.42 C ATOM 1161 C ARG A 73 19.048 14.108 11.978 1.00 43.22 C ATOM 1162 O ARG A 73 19.640 13.033 12.062 1.00 31.43 O ATOM 1163 CB ARG A 73 19.234 16.008 10.362 1.00 44.45 C ATOM 1164 CG ARG A 73 20.128 16.035 9.132 1.00 32.21 C ATOM 1165 CD ARG A 73 21.578 16.301 9.503 1.00 2.22 C ATOM 1166 NE ARG A 73 21.725 17.518 10.298 1.00 64.24 N ATOM 1167 CZ ARG A 73 21.655 18.742 9.787 1.00 44.01 C ATOM 1168 NH1 ARG A 73 21.441 18.911 8.490 1.00 51.45 N ATOM 1169 NH2 ARG A 73 21.799 19.800 10.575 1.00 44.14 N ATOM 0 H ARG A 73 16.794 15.663 10.274 1.00 72.32 H new ATOM 0 HA ARG A 73 18.912 13.947 9.850 1.00 72.42 H new ATOM 0 HB2 ARG A 73 18.447 16.753 10.245 1.00 44.45 H new ATOM 0 HB3 ARG A 73 19.821 16.298 11.234 1.00 44.45 H new ATOM 0 HG2 ARG A 73 20.055 15.083 8.607 1.00 32.21 H new ATOM 0 HG3 ARG A 73 19.780 16.806 8.445 1.00 32.21 H new ATOM 0 HD2 ARG A 73 21.970 15.452 10.063 1.00 2.22 H new ATOM 0 HD3 ARG A 73 22.175 16.387 8.595 1.00 2.22 H new ATOM 0 HE ARG A 73 21.890 17.422 11.300 1.00 64.24 H new ATOM 0 HH11 ARG A 73 21.330 18.100 7.882 1.00 51.45 H new ATOM 0 HH12 ARG A 73 21.388 19.852 8.100 1.00 51.45 H new ATOM 0 HH21 ARG A 73 21.964 19.673 11.574 1.00 44.14 H new ATOM 0 HH22 ARG A 73 21.745 20.740 10.182 1.00 44.14 H new ATOM 1183 N GLU A 74 18.768 14.866 13.033 1.00 4.25 N ATOM 1184 CA GLU A 74 19.151 14.467 14.383 1.00 71.23 C ATOM 1185 C GLU A 74 18.438 13.181 14.792 1.00 10.33 C ATOM 1186 O GLU A 74 18.967 12.386 15.568 1.00 25.24 O ATOM 1187 CB GLU A 74 18.828 15.582 15.379 1.00 31.14 C ATOM 1188 CG GLU A 74 19.821 15.681 16.525 1.00 22.10 C ATOM 1189 CD GLU A 74 19.549 14.670 17.622 1.00 62.10 C ATOM 1190 OE1 GLU A 74 20.289 13.667 17.700 1.00 5.04 O ATOM 1191 OE2 GLU A 74 18.597 14.881 18.401 1.00 32.13 O ATOM 0 H GLU A 74 18.278 15.759 12.980 1.00 4.25 H new ATOM 0 HA GLU A 74 20.226 14.284 14.390 1.00 71.23 H new ATOM 0 HB2 GLU A 74 18.801 16.534 14.849 1.00 31.14 H new ATOM 0 HB3 GLU A 74 17.831 15.416 15.787 1.00 31.14 H new ATOM 0 HG2 GLU A 74 20.830 15.532 16.140 1.00 22.10 H new ATOM 0 HG3 GLU A 74 19.786 16.686 16.945 1.00 22.10 H new ATOM 1198 N TRP A 75 17.235 12.986 14.266 1.00 74.03 N ATOM 1199 CA TRP A 75 16.448 11.798 14.577 1.00 61.43 C ATOM 1200 C TRP A 75 17.267 10.530 14.358 1.00 0.30 C ATOM 1201 O TRP A 75 17.067 9.525 15.041 1.00 44.40 O ATOM 1202 CB TRP A 75 15.184 11.758 13.716 1.00 22.21 C ATOM 1203 CG TRP A 75 14.067 10.975 14.337 1.00 63.41 C ATOM 1204 CD1 TRP A 75 13.461 11.221 15.536 1.00 62.22 C ATOM 1205 CD2 TRP A 75 13.425 9.817 13.791 1.00 42.44 C ATOM 1206 NE1 TRP A 75 12.481 10.286 15.768 1.00 51.24 N ATOM 1207 CE2 TRP A 75 12.438 9.415 14.712 1.00 63.24 C ATOM 1208 CE3 TRP A 75 13.586 9.083 12.612 1.00 3.44 C ATOM 1209 CZ2 TRP A 75 11.619 8.311 14.489 1.00 2.04 C ATOM 1210 CZ3 TRP A 75 12.773 7.988 12.394 1.00 52.04 C ATOM 1211 CH2 TRP A 75 11.799 7.611 13.328 1.00 71.34 C ATOM 0 H TRP A 75 16.783 13.635 13.622 1.00 74.03 H new ATOM 0 HA TRP A 75 16.162 11.847 15.628 1.00 61.43 H new ATOM 0 HB2 TRP A 75 14.845 12.778 13.533 1.00 22.21 H new ATOM 0 HB3 TRP A 75 15.427 11.324 12.746 1.00 22.21 H new ATOM 0 HD1 TRP A 75 13.715 12.031 16.204 1.00 62.22 H new ATOM 0 HE1 TRP A 75 11.883 10.247 16.593 1.00 51.24 H new ATOM 0 HE3 TRP A 75 14.332 9.367 11.885 1.00 3.44 H new ATOM 0 HZ2 TRP A 75 10.868 8.018 15.208 1.00 2.04 H new ATOM 0 HZ3 TRP A 75 12.890 7.412 11.488 1.00 52.04 H new ATOM 0 HH2 TRP A 75 11.178 6.751 13.127 1.00 71.34 H new ATOM 1222 N TYR A 76 18.189 10.584 13.403 1.00 54.21 N ATOM 1223 CA TYR A 76 19.036 9.439 13.093 1.00 24.04 C ATOM 1224 C TYR A 76 20.513 9.808 13.205 1.00 35.25 C ATOM 1225 O TYR A 76 21.390 8.975 12.983 1.00 23.04 O ATOM 1226 CB TYR A 76 18.734 8.920 11.687 1.00 64.33 C ATOM 1227 CG TYR A 76 19.447 7.629 11.352 1.00 43.14 C ATOM 1228 CD1 TYR A 76 19.255 6.487 12.120 1.00 44.14 C ATOM 1229 CD2 TYR A 76 20.313 7.552 10.268 1.00 24.20 C ATOM 1230 CE1 TYR A 76 19.905 5.306 11.818 1.00 61.22 C ATOM 1231 CE2 TYR A 76 20.966 6.374 9.958 1.00 41.51 C ATOM 1232 CZ TYR A 76 20.759 5.254 10.736 1.00 51.42 C ATOM 1233 OH TYR A 76 21.408 4.080 10.431 1.00 4.10 O ATOM 0 H TYR A 76 18.369 11.409 12.830 1.00 54.21 H new ATOM 0 HA TYR A 76 18.820 8.653 13.817 1.00 24.04 H new ATOM 0 HB2 TYR A 76 17.659 8.768 11.588 1.00 64.33 H new ATOM 0 HB3 TYR A 76 19.017 9.681 10.959 1.00 64.33 H new ATOM 0 HD1 TYR A 76 18.586 6.523 12.967 1.00 44.14 H new ATOM 0 HD2 TYR A 76 20.479 8.427 9.657 1.00 24.20 H new ATOM 0 HE1 TYR A 76 19.745 4.428 12.426 1.00 61.22 H new ATOM 0 HE2 TYR A 76 21.635 6.331 9.111 1.00 41.51 H new ATOM 0 HH TYR A 76 21.191 3.815 9.513 1.00 4.10 H new ATOM 1243 N ASN A 77 20.777 11.063 13.553 1.00 43.14 N ATOM 1244 CA ASN A 77 22.147 11.544 13.695 1.00 53.11 C ATOM 1245 C ASN A 77 22.923 11.370 12.393 1.00 73.51 C ATOM 1246 O ASN A 77 23.595 10.358 12.190 1.00 1.13 O ATOM 1247 CB ASN A 77 22.856 10.800 14.828 1.00 73.40 C ATOM 1248 CG ASN A 77 24.358 11.006 14.804 1.00 31.22 C ATOM 1249 OD1 ASN A 77 24.843 12.080 14.448 1.00 14.01 O ATOM 1250 ND2 ASN A 77 25.103 9.974 15.184 1.00 13.23 N ATOM 0 H ASN A 77 20.061 11.765 13.742 1.00 43.14 H new ATOM 0 HA ASN A 77 22.109 12.607 13.935 1.00 53.11 H new ATOM 0 HB2 ASN A 77 22.461 11.140 15.785 1.00 73.40 H new ATOM 0 HB3 ASN A 77 22.637 9.735 14.753 1.00 73.40 H new ATOM 0 HD21 ASN A 77 26.120 10.053 15.188 1.00 13.23 H new ATOM 0 HD22 ASN A 77 24.658 9.102 15.471 1.00 13.23 H new ATOM 1257 N ILE A 78 22.825 12.362 11.515 1.00 74.34 N ATOM 1258 CA ILE A 78 23.518 12.319 10.233 1.00 25.55 C ATOM 1259 C ILE A 78 24.747 13.222 10.243 1.00 60.21 C ATOM 1260 O ILE A 78 24.635 14.441 10.375 1.00 13.03 O ATOM 1261 CB ILE A 78 22.593 12.742 9.077 1.00 31.45 C ATOM 1262 CG1 ILE A 78 21.658 11.592 8.696 1.00 24.34 C ATOM 1263 CG2 ILE A 78 23.415 13.184 7.876 1.00 54.01 C ATOM 1264 CD1 ILE A 78 20.192 11.923 8.867 1.00 23.43 C ATOM 0 H ILE A 78 22.272 13.206 11.668 1.00 74.34 H new ATOM 0 HA ILE A 78 23.829 11.286 10.077 1.00 25.55 H new ATOM 0 HB ILE A 78 21.986 13.585 9.407 1.00 31.45 H new ATOM 0 HG12 ILE A 78 21.841 11.315 7.658 1.00 24.34 H new ATOM 0 HG13 ILE A 78 21.899 10.721 9.306 1.00 24.34 H new ATOM 0 HG21 ILE A 78 22.747 13.480 7.067 1.00 54.01 H new ATOM 0 HG22 ILE A 78 24.043 14.030 8.156 1.00 54.01 H new ATOM 0 HG23 ILE A 78 24.045 12.359 7.543 1.00 54.01 H new ATOM 0 HD11 ILE A 78 19.589 11.062 8.578 1.00 23.43 H new ATOM 0 HD12 ILE A 78 19.994 12.172 9.910 1.00 23.43 H new ATOM 0 HD13 ILE A 78 19.935 12.774 8.236 1.00 23.43 H new ATOM 1276 N THR A 79 25.922 12.616 10.100 1.00 74.33 N ATOM 1277 CA THR A 79 27.172 13.364 10.091 1.00 50.41 C ATOM 1278 C THR A 79 27.585 13.728 8.669 1.00 12.53 C ATOM 1279 O THR A 79 28.281 14.720 8.450 1.00 71.45 O ATOM 1280 CB THR A 79 28.310 12.566 10.755 1.00 15.12 C ATOM 1281 OG1 THR A 79 28.365 11.244 10.208 1.00 74.01 O ATOM 1282 CG2 THR A 79 28.109 12.489 12.261 1.00 12.11 C ATOM 0 H THR A 79 26.033 11.608 9.989 1.00 74.33 H new ATOM 0 HA THR A 79 26.998 14.277 10.661 1.00 50.41 H new ATOM 0 HB THR A 79 29.250 13.081 10.555 1.00 15.12 H new ATOM 0 HG1 THR A 79 29.092 10.744 10.634 1.00 74.01 H new ATOM 0 HG21 THR A 79 28.925 11.921 12.708 1.00 12.11 H new ATOM 0 HG22 THR A 79 28.096 13.496 12.678 1.00 12.11 H new ATOM 0 HG23 THR A 79 27.162 11.995 12.477 1.00 12.11 H new ATOM 1290 N SER A 80 27.151 12.921 7.707 1.00 52.12 N ATOM 1291 CA SER A 80 27.478 13.157 6.306 1.00 43.04 C ATOM 1292 C SER A 80 26.222 13.472 5.500 1.00 73.45 C ATOM 1293 O SER A 80 25.471 12.572 5.121 1.00 22.14 O ATOM 1294 CB SER A 80 28.186 11.937 5.713 1.00 40.01 C ATOM 1295 OG SER A 80 27.552 10.735 6.114 1.00 22.22 O ATOM 0 H SER A 80 26.572 12.098 7.872 1.00 52.12 H new ATOM 0 HA SER A 80 28.146 14.017 6.255 1.00 43.04 H new ATOM 0 HB2 SER A 80 28.187 12.006 4.625 1.00 40.01 H new ATOM 0 HB3 SER A 80 29.228 11.926 6.032 1.00 40.01 H new ATOM 0 HG SER A 80 28.022 9.970 5.721 1.00 22.22 H new ATOM 1301 N VAL A 81 25.999 14.756 5.240 1.00 51.11 N ATOM 1302 CA VAL A 81 24.834 15.191 4.478 1.00 4.31 C ATOM 1303 C VAL A 81 24.492 14.192 3.379 1.00 42.03 C ATOM 1304 O VAL A 81 23.389 13.649 3.321 1.00 71.24 O ATOM 1305 CB VAL A 81 25.064 16.576 3.845 1.00 52.35 C ATOM 1306 CG1 VAL A 81 23.914 17.514 4.179 1.00 75.31 C ATOM 1307 CG2 VAL A 81 26.390 17.160 4.307 1.00 1.32 C ATOM 0 H VAL A 81 26.610 15.514 5.546 1.00 51.11 H new ATOM 0 HA VAL A 81 24.002 15.254 5.179 1.00 4.31 H new ATOM 0 HB VAL A 81 25.103 16.459 2.762 1.00 52.35 H new ATOM 0 HG11 VAL A 81 24.094 18.488 3.723 1.00 75.31 H new ATOM 0 HG12 VAL A 81 22.983 17.100 3.793 1.00 75.31 H new ATOM 0 HG13 VAL A 81 23.840 17.628 5.260 1.00 75.31 H new ATOM 0 HG21 VAL A 81 26.536 18.139 3.850 1.00 1.32 H new ATOM 0 HG22 VAL A 81 26.384 17.264 5.392 1.00 1.32 H new ATOM 0 HG23 VAL A 81 27.203 16.497 4.011 1.00 1.32 H new ATOM 1317 N PRO A 82 25.460 13.942 2.484 1.00 21.24 N ATOM 1318 CA PRO A 82 25.286 13.005 1.370 1.00 15.32 C ATOM 1319 C PRO A 82 25.208 11.556 1.838 1.00 55.02 C ATOM 1320 O PRO A 82 26.165 10.794 1.696 1.00 54.11 O ATOM 1321 CB PRO A 82 26.540 13.227 0.521 1.00 32.51 C ATOM 1322 CG PRO A 82 27.558 13.744 1.477 1.00 22.24 C ATOM 1323 CD PRO A 82 26.800 14.553 2.493 1.00 54.35 C ATOM 0 HA PRO A 82 24.354 13.180 0.832 1.00 15.32 H new ATOM 0 HB2 PRO A 82 26.871 12.300 0.054 1.00 32.51 H new ATOM 0 HB3 PRO A 82 26.353 13.940 -0.282 1.00 32.51 H new ATOM 0 HG2 PRO A 82 28.097 12.925 1.954 1.00 22.24 H new ATOM 0 HG3 PRO A 82 28.299 14.357 0.964 1.00 22.24 H new ATOM 0 HD2 PRO A 82 27.262 14.495 3.479 1.00 54.35 H new ATOM 0 HD3 PRO A 82 26.763 15.608 2.220 1.00 54.35 H new ATOM 1331 N THR A 83 24.061 11.180 2.396 1.00 21.12 N ATOM 1332 CA THR A 83 23.858 9.822 2.885 1.00 5.13 C ATOM 1333 C THR A 83 22.986 9.018 1.929 1.00 70.53 C ATOM 1334 O THR A 83 22.175 9.578 1.192 1.00 53.42 O ATOM 1335 CB THR A 83 23.208 9.819 4.281 1.00 14.14 C ATOM 1336 OG1 THR A 83 22.903 11.160 4.683 1.00 64.50 O ATOM 1337 CG2 THR A 83 24.128 9.174 5.306 1.00 22.13 C ATOM 0 H THR A 83 23.259 11.797 2.520 1.00 21.12 H new ATOM 0 HA THR A 83 24.843 9.359 2.950 1.00 5.13 H new ATOM 0 HB THR A 83 22.287 9.238 4.227 1.00 14.14 H new ATOM 0 HG1 THR A 83 21.995 11.193 5.051 1.00 64.50 H new ATOM 0 HG21 THR A 83 23.647 9.184 6.284 1.00 22.13 H new ATOM 0 HG22 THR A 83 24.334 8.144 5.013 1.00 22.13 H new ATOM 0 HG23 THR A 83 25.064 9.731 5.356 1.00 22.13 H new ATOM 1345 N PHE A 84 23.157 7.700 1.945 1.00 21.24 N ATOM 1346 CA PHE A 84 22.385 6.818 1.078 1.00 33.55 C ATOM 1347 C PHE A 84 21.669 5.744 1.893 1.00 3.15 C ATOM 1348 O PHE A 84 22.305 4.882 2.500 1.00 4.22 O ATOM 1349 CB PHE A 84 23.297 6.162 0.040 1.00 71.23 C ATOM 1350 CG PHE A 84 23.377 6.922 -1.253 1.00 54.12 C ATOM 1351 CD1 PHE A 84 23.762 8.253 -1.267 1.00 73.10 C ATOM 1352 CD2 PHE A 84 23.066 6.306 -2.455 1.00 31.02 C ATOM 1353 CE1 PHE A 84 23.836 8.955 -2.455 1.00 44.51 C ATOM 1354 CE2 PHE A 84 23.139 7.003 -3.646 1.00 2.22 C ATOM 1355 CZ PHE A 84 23.524 8.330 -3.646 1.00 33.21 C ATOM 0 H PHE A 84 23.824 7.219 2.549 1.00 21.24 H new ATOM 0 HA PHE A 84 21.635 7.420 0.564 1.00 33.55 H new ATOM 0 HB2 PHE A 84 24.299 6.065 0.458 1.00 71.23 H new ATOM 0 HB3 PHE A 84 22.937 5.153 -0.162 1.00 71.23 H new ATOM 0 HD1 PHE A 84 24.007 8.748 -0.339 1.00 73.10 H new ATOM 0 HD2 PHE A 84 22.763 5.269 -2.461 1.00 31.02 H new ATOM 0 HE1 PHE A 84 24.138 9.992 -2.452 1.00 44.51 H new ATOM 0 HE2 PHE A 84 22.895 6.511 -4.576 1.00 2.22 H new ATOM 0 HZ PHE A 84 23.581 8.877 -4.575 1.00 33.21 H new ATOM 1365 N VAL A 85 20.341 5.804 1.903 1.00 64.40 N ATOM 1366 CA VAL A 85 19.538 4.837 2.642 1.00 1.24 C ATOM 1367 C VAL A 85 18.722 3.963 1.697 1.00 61.11 C ATOM 1368 O VAL A 85 18.056 4.465 0.791 1.00 33.32 O ATOM 1369 CB VAL A 85 18.584 5.538 3.628 1.00 21.32 C ATOM 1370 CG1 VAL A 85 17.931 4.522 4.553 1.00 64.30 C ATOM 1371 CG2 VAL A 85 19.328 6.597 4.427 1.00 40.31 C ATOM 0 H VAL A 85 19.799 6.512 1.408 1.00 64.40 H new ATOM 0 HA VAL A 85 20.232 4.211 3.202 1.00 1.24 H new ATOM 0 HB VAL A 85 17.798 6.032 3.057 1.00 21.32 H new ATOM 0 HG11 VAL A 85 17.261 5.036 5.242 1.00 64.30 H new ATOM 0 HG12 VAL A 85 17.363 3.804 3.962 1.00 64.30 H new ATOM 0 HG13 VAL A 85 18.701 3.997 5.119 1.00 64.30 H new ATOM 0 HG21 VAL A 85 18.639 7.082 5.118 1.00 40.31 H new ATOM 0 HG22 VAL A 85 20.136 6.128 4.989 1.00 40.31 H new ATOM 0 HG23 VAL A 85 19.743 7.341 3.747 1.00 40.31 H new ATOM 1381 N ILE A 86 18.779 2.653 1.914 1.00 12.30 N ATOM 1382 CA ILE A 86 18.043 1.709 1.082 1.00 5.00 C ATOM 1383 C ILE A 86 16.919 1.044 1.868 1.00 31.30 C ATOM 1384 O ILE A 86 17.149 0.463 2.928 1.00 1.23 O ATOM 1385 CB ILE A 86 18.971 0.619 0.513 1.00 41.44 C ATOM 1386 CG1 ILE A 86 20.346 1.207 0.189 1.00 1.41 C ATOM 1387 CG2 ILE A 86 18.352 -0.008 -0.727 1.00 61.15 C ATOM 1388 CD1 ILE A 86 21.332 0.187 -0.335 1.00 75.34 C ATOM 0 H ILE A 86 19.327 2.222 2.658 1.00 12.30 H new ATOM 0 HA ILE A 86 17.617 2.280 0.257 1.00 5.00 H new ATOM 0 HB ILE A 86 19.098 -0.159 1.266 1.00 41.44 H new ATOM 0 HG12 ILE A 86 20.228 1.999 -0.550 1.00 1.41 H new ATOM 0 HG13 ILE A 86 20.756 1.668 1.088 1.00 1.41 H new ATOM 0 HG21 ILE A 86 19.019 -0.776 -1.118 1.00 61.15 H new ATOM 0 HG22 ILE A 86 17.393 -0.457 -0.468 1.00 61.15 H new ATOM 0 HG23 ILE A 86 18.199 0.760 -1.485 1.00 61.15 H new ATOM 0 HD11 ILE A 86 22.284 0.675 -0.543 1.00 75.34 H new ATOM 0 HD12 ILE A 86 21.480 -0.593 0.412 1.00 75.34 H new ATOM 0 HD13 ILE A 86 20.944 -0.257 -1.252 1.00 75.34 H new ATOM 1400 N GLU A 87 15.702 1.131 1.339 1.00 3.22 N ATOM 1401 CA GLU A 87 14.542 0.536 1.992 1.00 51.33 C ATOM 1402 C GLU A 87 13.927 -0.555 1.120 1.00 42.34 C ATOM 1403 O GLU A 87 14.360 -0.780 -0.011 1.00 2.13 O ATOM 1404 CB GLU A 87 13.495 1.610 2.298 1.00 22.41 C ATOM 1405 CG GLU A 87 13.053 2.396 1.075 1.00 23.51 C ATOM 1406 CD GLU A 87 12.065 1.631 0.216 1.00 62.20 C ATOM 1407 OE1 GLU A 87 12.190 1.690 -1.025 1.00 74.44 O ATOM 1408 OE2 GLU A 87 11.168 0.974 0.784 1.00 11.22 O ATOM 0 H GLU A 87 15.494 1.607 0.461 1.00 3.22 H new ATOM 0 HA GLU A 87 14.875 0.085 2.927 1.00 51.33 H new ATOM 0 HB2 GLU A 87 12.623 1.137 2.750 1.00 22.41 H new ATOM 0 HB3 GLU A 87 13.901 2.301 3.036 1.00 22.41 H new ATOM 0 HG2 GLU A 87 12.600 3.334 1.395 1.00 23.51 H new ATOM 0 HG3 GLU A 87 13.927 2.652 0.476 1.00 23.51 H new ATOM 1415 N LYS A 88 12.915 -1.230 1.653 1.00 22.43 N ATOM 1416 CA LYS A 88 12.239 -2.298 0.926 1.00 51.22 C ATOM 1417 C LYS A 88 10.949 -2.705 1.631 1.00 4.14 C ATOM 1418 O LYS A 88 10.977 -3.420 2.632 1.00 70.43 O ATOM 1419 CB LYS A 88 13.161 -3.511 0.786 1.00 60.14 C ATOM 1420 CG LYS A 88 12.752 -4.460 -0.328 1.00 24.13 C ATOM 1421 CD LYS A 88 11.794 -5.527 0.173 1.00 33.32 C ATOM 1422 CE LYS A 88 10.362 -5.233 -0.249 1.00 64.43 C ATOM 1423 NZ LYS A 88 9.860 -6.229 -1.236 1.00 33.22 N ATOM 0 H LYS A 88 12.544 -1.056 2.587 1.00 22.43 H new ATOM 0 HA LYS A 88 11.987 -1.924 -0.067 1.00 51.22 H new ATOM 0 HB2 LYS A 88 14.178 -3.165 0.602 1.00 60.14 H new ATOM 0 HB3 LYS A 88 13.176 -4.056 1.730 1.00 60.14 H new ATOM 0 HG2 LYS A 88 12.281 -3.896 -1.133 1.00 24.13 H new ATOM 0 HG3 LYS A 88 13.639 -4.934 -0.747 1.00 24.13 H new ATOM 0 HD2 LYS A 88 12.096 -6.500 -0.215 1.00 33.32 H new ATOM 0 HD3 LYS A 88 11.849 -5.586 1.260 1.00 33.32 H new ATOM 0 HE2 LYS A 88 9.717 -5.235 0.629 1.00 64.43 H new ATOM 0 HE3 LYS A 88 10.309 -4.234 -0.682 1.00 64.43 H new ATOM 0 HZ1 LYS A 88 8.881 -5.995 -1.499 1.00 33.22 H new ATOM 0 HZ2 LYS A 88 10.461 -6.210 -2.085 1.00 33.22 H new ATOM 0 HZ3 LYS A 88 9.887 -7.179 -0.815 1.00 33.22 H new ATOM 1437 N GLY A 89 9.820 -2.245 1.102 1.00 14.11 N ATOM 1438 CA GLY A 89 8.536 -2.573 1.694 1.00 73.03 C ATOM 1439 C GLY A 89 8.121 -1.584 2.765 1.00 23.11 C ATOM 1440 O GLY A 89 6.973 -1.144 2.803 1.00 21.21 O ATOM 0 H GLY A 89 9.771 -1.651 0.274 1.00 14.11 H new ATOM 0 HA2 GLY A 89 7.776 -2.599 0.913 1.00 73.03 H new ATOM 0 HA3 GLY A 89 8.583 -3.573 2.126 1.00 73.03 H new ATOM 1444 N GLY A 90 9.059 -1.234 3.640 1.00 22.24 N ATOM 1445 CA GLY A 90 8.765 -0.295 4.707 1.00 44.12 C ATOM 1446 C GLY A 90 9.687 -0.464 5.899 1.00 75.23 C ATOM 1447 O GLY A 90 9.226 -0.600 7.032 1.00 44.12 O ATOM 0 H GLY A 90 10.017 -1.584 3.629 1.00 22.24 H new ATOM 0 HA2 GLY A 90 8.852 0.722 4.326 1.00 44.12 H new ATOM 0 HA3 GLY A 90 7.732 -0.427 5.029 1.00 44.12 H new ATOM 1451 N GLU A 91 10.991 -0.458 5.642 1.00 11.22 N ATOM 1452 CA GLU A 91 11.978 -0.614 6.704 1.00 62.52 C ATOM 1453 C GLU A 91 13.396 -0.528 6.146 1.00 52.24 C ATOM 1454 O GLU A 91 13.640 -0.769 4.963 1.00 23.23 O ATOM 1455 CB GLU A 91 11.781 -1.952 7.420 1.00 24.03 C ATOM 1456 CG GLU A 91 11.523 -3.115 6.478 1.00 70.34 C ATOM 1457 CD GLU A 91 11.963 -4.445 7.058 1.00 34.41 C ATOM 1458 OE1 GLU A 91 11.847 -5.468 6.350 1.00 2.03 O ATOM 1459 OE2 GLU A 91 12.421 -4.464 8.219 1.00 24.12 O ATOM 0 H GLU A 91 11.388 -0.347 4.709 1.00 11.22 H new ATOM 0 HA GLU A 91 11.837 0.197 7.418 1.00 62.52 H new ATOM 0 HB2 GLU A 91 12.667 -2.169 8.017 1.00 24.03 H new ATOM 0 HB3 GLU A 91 10.944 -1.864 8.112 1.00 24.03 H new ATOM 0 HG2 GLU A 91 10.459 -3.159 6.244 1.00 70.34 H new ATOM 0 HG3 GLU A 91 12.049 -2.941 5.539 1.00 70.34 H new ATOM 1466 N PRO A 92 14.353 -0.174 7.016 1.00 63.33 N ATOM 1467 CA PRO A 92 15.763 -0.047 6.633 1.00 32.24 C ATOM 1468 C PRO A 92 16.404 -1.396 6.326 1.00 72.14 C ATOM 1469 O PRO A 92 16.341 -2.324 7.134 1.00 43.42 O ATOM 1470 CB PRO A 92 16.410 0.583 7.869 1.00 21.01 C ATOM 1471 CG PRO A 92 15.527 0.188 9.002 1.00 3.12 C ATOM 1472 CD PRO A 92 14.134 0.128 8.440 1.00 11.11 C ATOM 0 HA PRO A 92 15.887 0.540 5.723 1.00 32.24 H new ATOM 0 HB2 PRO A 92 17.427 0.217 8.013 1.00 21.01 H new ATOM 0 HB3 PRO A 92 16.472 1.667 7.774 1.00 21.01 H new ATOM 0 HG2 PRO A 92 15.825 -0.778 9.411 1.00 3.12 H new ATOM 0 HG3 PRO A 92 15.589 0.911 9.815 1.00 3.12 H new ATOM 0 HD2 PRO A 92 13.537 -0.643 8.927 1.00 11.11 H new ATOM 0 HD3 PRO A 92 13.606 1.072 8.574 1.00 11.11 H new ATOM 1480 N LEU A 93 17.020 -1.499 5.153 1.00 22.24 N ATOM 1481 CA LEU A 93 17.674 -2.736 4.739 1.00 50.32 C ATOM 1482 C LEU A 93 19.179 -2.533 4.592 1.00 74.31 C ATOM 1483 O LEU A 93 19.971 -3.390 4.981 1.00 44.21 O ATOM 1484 CB LEU A 93 17.083 -3.230 3.417 1.00 11.04 C ATOM 1485 CG LEU A 93 17.358 -4.692 3.064 1.00 30.13 C ATOM 1486 CD1 LEU A 93 16.622 -5.619 4.019 1.00 75.34 C ATOM 1487 CD2 LEU A 93 16.957 -4.978 1.624 1.00 11.44 C ATOM 0 H LEU A 93 17.080 -0.742 4.472 1.00 22.24 H new ATOM 0 HA LEU A 93 17.501 -3.486 5.511 1.00 50.32 H new ATOM 0 HB2 LEU A 93 16.004 -3.081 3.446 1.00 11.04 H new ATOM 0 HB3 LEU A 93 17.469 -2.604 2.613 1.00 11.04 H new ATOM 0 HG LEU A 93 18.428 -4.875 3.165 1.00 30.13 H new ATOM 0 HD11 LEU A 93 16.830 -6.655 3.752 1.00 75.34 H new ATOM 0 HD12 LEU A 93 16.958 -5.432 5.039 1.00 75.34 H new ATOM 0 HD13 LEU A 93 15.550 -5.435 3.951 1.00 75.34 H new ATOM 0 HD21 LEU A 93 17.160 -6.023 1.391 1.00 11.44 H new ATOM 0 HD22 LEU A 93 15.893 -4.777 1.496 1.00 11.44 H new ATOM 0 HD23 LEU A 93 17.530 -4.338 0.953 1.00 11.44 H new ATOM 1499 N GLY A 94 19.565 -1.392 4.029 1.00 21.30 N ATOM 1500 CA GLY A 94 20.974 -1.097 3.843 1.00 53.22 C ATOM 1501 C GLY A 94 21.296 0.365 4.079 1.00 14.43 C ATOM 1502 O GLY A 94 20.394 1.194 4.201 1.00 71.32 O ATOM 0 H GLY A 94 18.928 -0.667 3.699 1.00 21.30 H new ATOM 0 HA2 GLY A 94 21.564 -1.710 4.524 1.00 53.22 H new ATOM 0 HA3 GLY A 94 21.269 -1.372 2.830 1.00 53.22 H new ATOM 1506 N GLU A 95 22.585 0.683 4.147 1.00 71.34 N ATOM 1507 CA GLU A 95 23.022 2.055 4.373 1.00 3.10 C ATOM 1508 C GLU A 95 24.518 2.200 4.107 1.00 10.33 C ATOM 1509 O GLU A 95 25.301 1.294 4.390 1.00 21.44 O ATOM 1510 CB GLU A 95 22.704 2.486 5.806 1.00 33.54 C ATOM 1511 CG GLU A 95 23.632 1.878 6.845 1.00 51.32 C ATOM 1512 CD GLU A 95 23.253 2.263 8.262 1.00 44.22 C ATOM 1513 OE1 GLU A 95 22.136 1.910 8.694 1.00 70.35 O ATOM 1514 OE2 GLU A 95 24.074 2.918 8.939 1.00 74.53 O ATOM 0 H GLU A 95 23.344 0.009 4.049 1.00 71.34 H new ATOM 0 HA GLU A 95 22.482 2.700 3.679 1.00 3.10 H new ATOM 0 HB2 GLU A 95 22.762 3.573 5.871 1.00 33.54 H new ATOM 0 HB3 GLU A 95 21.677 2.207 6.041 1.00 33.54 H new ATOM 0 HG2 GLU A 95 23.615 0.792 6.751 1.00 51.32 H new ATOM 0 HG3 GLU A 95 24.654 2.200 6.646 1.00 51.32 H new ATOM 1521 N VAL A 96 24.907 3.348 3.561 1.00 63.22 N ATOM 1522 CA VAL A 96 26.308 3.613 3.257 1.00 43.32 C ATOM 1523 C VAL A 96 26.697 5.034 3.652 1.00 71.51 C ATOM 1524 O VAL A 96 25.882 5.954 3.585 1.00 34.21 O ATOM 1525 CB VAL A 96 26.606 3.409 1.759 1.00 2.05 C ATOM 1526 CG1 VAL A 96 28.076 3.670 1.467 1.00 52.12 C ATOM 1527 CG2 VAL A 96 26.208 2.007 1.324 1.00 63.11 C ATOM 0 H VAL A 96 24.272 4.109 3.320 1.00 63.22 H new ATOM 0 HA VAL A 96 26.897 2.903 3.837 1.00 43.32 H new ATOM 0 HB VAL A 96 26.014 4.124 1.187 1.00 2.05 H new ATOM 0 HG11 VAL A 96 28.268 3.521 0.404 1.00 52.12 H new ATOM 0 HG12 VAL A 96 28.325 4.695 1.741 1.00 52.12 H new ATOM 0 HG13 VAL A 96 28.690 2.981 2.047 1.00 52.12 H new ATOM 0 HG21 VAL A 96 26.425 1.880 0.263 1.00 63.11 H new ATOM 0 HG22 VAL A 96 26.772 1.273 1.900 1.00 63.11 H new ATOM 0 HG23 VAL A 96 25.142 1.862 1.496 1.00 63.11 H new ATOM 1537 N LYS A 97 27.948 5.206 4.064 1.00 63.32 N ATOM 1538 CA LYS A 97 28.448 6.514 4.469 1.00 51.34 C ATOM 1539 C LYS A 97 29.804 6.800 3.831 1.00 11.13 C ATOM 1540 O LYS A 97 30.846 6.446 4.381 1.00 70.21 O ATOM 1541 CB LYS A 97 28.563 6.590 5.993 1.00 73.02 C ATOM 1542 CG LYS A 97 27.358 6.022 6.723 1.00 71.35 C ATOM 1543 CD LYS A 97 27.697 4.720 7.430 1.00 41.34 C ATOM 1544 CE LYS A 97 27.876 4.929 8.926 1.00 63.05 C ATOM 1545 NZ LYS A 97 26.590 5.263 9.597 1.00 32.31 N ATOM 0 H LYS A 97 28.635 4.455 4.126 1.00 63.32 H new ATOM 0 HA LYS A 97 27.739 7.268 4.127 1.00 51.34 H new ATOM 0 HB2 LYS A 97 29.456 6.051 6.309 1.00 73.02 H new ATOM 0 HB3 LYS A 97 28.698 7.631 6.287 1.00 73.02 H new ATOM 0 HG2 LYS A 97 26.996 6.749 7.451 1.00 71.35 H new ATOM 0 HG3 LYS A 97 26.548 5.852 6.013 1.00 71.35 H new ATOM 0 HD2 LYS A 97 26.904 3.993 7.255 1.00 41.34 H new ATOM 0 HD3 LYS A 97 28.611 4.303 7.008 1.00 41.34 H new ATOM 0 HE2 LYS A 97 28.294 4.026 9.371 1.00 63.05 H new ATOM 0 HE3 LYS A 97 28.594 5.731 9.097 1.00 63.05 H new ATOM 0 HZ1 LYS A 97 26.669 5.068 10.616 1.00 32.31 H new ATOM 0 HZ2 LYS A 97 26.375 6.270 9.453 1.00 32.31 H new ATOM 0 HZ3 LYS A 97 25.827 4.684 9.192 1.00 32.31 H new ATOM 1559 N GLY A 98 29.782 7.445 2.669 1.00 65.25 N ATOM 1560 CA GLY A 98 31.017 7.768 1.977 1.00 55.22 C ATOM 1561 C GLY A 98 30.839 7.828 0.473 1.00 44.14 C ATOM 1562 O GLY A 98 29.914 7.242 -0.089 1.00 34.02 O ATOM 0 H GLY A 98 28.932 7.750 2.194 1.00 65.25 H new ATOM 0 HA2 GLY A 98 31.390 8.728 2.334 1.00 55.22 H new ATOM 0 HA3 GLY A 98 31.773 7.021 2.221 1.00 55.22 H new ATOM 1566 N PRO A 99 31.742 8.553 -0.205 1.00 62.41 N ATOM 1567 CA PRO A 99 31.702 8.705 -1.662 1.00 51.25 C ATOM 1568 C PRO A 99 32.049 7.411 -2.391 1.00 12.13 C ATOM 1569 O PRO A 99 33.222 7.078 -2.560 1.00 51.54 O ATOM 1570 CB PRO A 99 32.763 9.774 -1.937 1.00 31.13 C ATOM 1571 CG PRO A 99 33.706 9.675 -0.788 1.00 12.24 C ATOM 1572 CD PRO A 99 32.872 9.278 0.399 1.00 2.02 C ATOM 0 HA PRO A 99 30.706 8.972 -2.016 1.00 51.25 H new ATOM 0 HB2 PRO A 99 33.272 9.593 -2.884 1.00 31.13 H new ATOM 0 HB3 PRO A 99 32.318 10.767 -2.000 1.00 31.13 H new ATOM 0 HG2 PRO A 99 34.483 8.936 -0.984 1.00 12.24 H new ATOM 0 HG3 PRO A 99 34.208 10.626 -0.612 1.00 12.24 H new ATOM 0 HD2 PRO A 99 33.431 8.647 1.090 1.00 2.02 H new ATOM 0 HD3 PRO A 99 32.536 10.148 0.963 1.00 2.02 H new ATOM 1580 N ASP A 100 31.022 6.685 -2.819 1.00 51.41 N ATOM 1581 CA ASP A 100 31.218 5.428 -3.531 1.00 24.11 C ATOM 1582 C ASP A 100 30.140 5.229 -4.591 1.00 40.55 C ATOM 1583 O ASP A 100 29.492 4.184 -4.643 1.00 74.11 O ATOM 1584 CB ASP A 100 31.208 4.255 -2.550 1.00 22.24 C ATOM 1585 CG ASP A 100 29.858 4.066 -1.887 1.00 11.33 C ATOM 1586 OD1 ASP A 100 29.384 2.912 -1.823 1.00 13.51 O ATOM 1587 OD2 ASP A 100 29.276 5.072 -1.431 1.00 14.30 O ATOM 0 H ASP A 100 30.045 6.946 -2.685 1.00 51.41 H new ATOM 0 HA ASP A 100 32.187 5.468 -4.028 1.00 24.11 H new ATOM 0 HB2 ASP A 100 31.481 3.341 -3.078 1.00 22.24 H new ATOM 0 HB3 ASP A 100 31.966 4.419 -1.784 1.00 22.24 H new ATOM 1592 N ILE A 101 29.953 6.240 -5.434 1.00 63.43 N ATOM 1593 CA ILE A 101 28.954 6.176 -6.493 1.00 74.41 C ATOM 1594 C ILE A 101 29.200 4.982 -7.410 1.00 52.42 C ATOM 1595 O ILE A 101 28.267 4.435 -7.998 1.00 34.15 O ATOM 1596 CB ILE A 101 28.944 7.464 -7.337 1.00 30.11 C ATOM 1597 CG1 ILE A 101 28.409 8.636 -6.512 1.00 10.03 C ATOM 1598 CG2 ILE A 101 28.108 7.268 -8.593 1.00 2.11 C ATOM 1599 CD1 ILE A 101 26.968 8.466 -6.083 1.00 63.43 C ATOM 0 H ILE A 101 30.480 7.113 -5.404 1.00 63.43 H new ATOM 0 HA ILE A 101 27.985 6.063 -6.006 1.00 74.41 H new ATOM 0 HB ILE A 101 29.967 7.692 -7.637 1.00 30.11 H new ATOM 0 HG12 ILE A 101 29.031 8.760 -5.626 1.00 10.03 H new ATOM 0 HG13 ILE A 101 28.500 9.552 -7.096 1.00 10.03 H new ATOM 0 HG21 ILE A 101 28.111 8.187 -9.179 1.00 2.11 H new ATOM 0 HG22 ILE A 101 28.529 6.457 -9.188 1.00 2.11 H new ATOM 0 HG23 ILE A 101 27.084 7.019 -8.314 1.00 2.11 H new ATOM 0 HD11 ILE A 101 26.656 9.334 -5.502 1.00 63.43 H new ATOM 0 HD12 ILE A 101 26.334 8.373 -6.965 1.00 63.43 H new ATOM 0 HD13 ILE A 101 26.874 7.568 -5.472 1.00 63.43 H new ATOM 1611 N ASP A 102 30.462 4.583 -7.527 1.00 15.52 N ATOM 1612 CA ASP A 102 30.831 3.453 -8.370 1.00 61.42 C ATOM 1613 C ASP A 102 30.536 2.131 -7.667 1.00 53.24 C ATOM 1614 O ASP A 102 30.053 1.181 -8.284 1.00 41.45 O ATOM 1615 CB ASP A 102 32.313 3.528 -8.740 1.00 62.30 C ATOM 1616 CG ASP A 102 32.679 2.575 -9.861 1.00 41.23 C ATOM 1617 OD1 ASP A 102 32.635 1.348 -9.636 1.00 21.55 O ATOM 1618 OD2 ASP A 102 33.009 3.057 -10.965 1.00 15.30 O ATOM 0 H ASP A 102 31.246 5.026 -7.048 1.00 15.52 H new ATOM 0 HA ASP A 102 30.234 3.501 -9.281 1.00 61.42 H new ATOM 0 HB2 ASP A 102 32.559 4.547 -9.039 1.00 62.30 H new ATOM 0 HB3 ASP A 102 32.916 3.299 -7.861 1.00 62.30 H new ATOM 1623 N LYS A 103 30.830 2.077 -6.373 1.00 33.03 N ATOM 1624 CA LYS A 103 30.596 0.873 -5.584 1.00 61.14 C ATOM 1625 C LYS A 103 29.111 0.702 -5.279 1.00 64.22 C ATOM 1626 O LYS A 103 28.661 -0.389 -4.926 1.00 24.11 O ATOM 1627 CB LYS A 103 31.393 0.931 -4.279 1.00 34.41 C ATOM 1628 CG LYS A 103 31.759 -0.437 -3.729 1.00 11.11 C ATOM 1629 CD LYS A 103 32.636 -0.324 -2.493 1.00 62.33 C ATOM 1630 CE LYS A 103 32.602 -1.601 -1.667 1.00 40.02 C ATOM 1631 NZ LYS A 103 33.151 -1.391 -0.299 1.00 62.20 N ATOM 0 H LYS A 103 31.231 2.854 -5.847 1.00 33.03 H new ATOM 0 HA LYS A 103 30.929 0.015 -6.168 1.00 61.14 H new ATOM 0 HB2 LYS A 103 32.306 1.503 -4.446 1.00 34.41 H new ATOM 0 HB3 LYS A 103 30.811 1.470 -3.531 1.00 34.41 H new ATOM 0 HG2 LYS A 103 30.850 -0.986 -3.483 1.00 11.11 H new ATOM 0 HG3 LYS A 103 32.280 -1.011 -4.495 1.00 11.11 H new ATOM 0 HD2 LYS A 103 33.662 -0.110 -2.792 1.00 62.33 H new ATOM 0 HD3 LYS A 103 32.300 0.514 -1.883 1.00 62.33 H new ATOM 0 HE2 LYS A 103 31.575 -1.960 -1.595 1.00 40.02 H new ATOM 0 HE3 LYS A 103 33.176 -2.377 -2.174 1.00 40.02 H new ATOM 0 HZ1 LYS A 103 33.110 -2.284 0.232 1.00 62.20 H new ATOM 0 HZ2 LYS A 103 34.139 -1.073 -0.366 1.00 62.20 H new ATOM 0 HZ3 LYS A 103 32.588 -0.669 0.194 1.00 62.20 H new ATOM 1645 N LEU A 104 28.355 1.785 -5.419 1.00 31.21 N ATOM 1646 CA LEU A 104 26.920 1.754 -5.160 1.00 14.14 C ATOM 1647 C LEU A 104 26.248 0.634 -5.947 1.00 31.40 C ATOM 1648 O LEU A 104 25.357 -0.048 -5.439 1.00 5.02 O ATOM 1649 CB LEU A 104 26.287 3.099 -5.523 1.00 71.40 C ATOM 1650 CG LEU A 104 24.886 3.353 -4.967 1.00 14.12 C ATOM 1651 CD1 LEU A 104 24.966 4.014 -3.600 1.00 11.25 C ATOM 1652 CD2 LEU A 104 24.077 4.211 -5.929 1.00 44.03 C ATOM 0 H LEU A 104 28.712 2.695 -5.710 1.00 31.21 H new ATOM 0 HA LEU A 104 26.772 1.565 -4.097 1.00 14.14 H new ATOM 0 HB2 LEU A 104 26.945 3.894 -5.172 1.00 71.40 H new ATOM 0 HB3 LEU A 104 26.245 3.177 -6.609 1.00 71.40 H new ATOM 0 HG LEU A 104 24.381 2.393 -4.855 1.00 14.12 H new ATOM 0 HD11 LEU A 104 23.959 4.187 -3.220 1.00 11.25 H new ATOM 0 HD12 LEU A 104 25.506 3.363 -2.912 1.00 11.25 H new ATOM 0 HD13 LEU A 104 25.490 4.966 -3.686 1.00 11.25 H new ATOM 0 HD21 LEU A 104 23.083 4.381 -5.516 1.00 44.03 H new ATOM 0 HD22 LEU A 104 24.579 5.168 -6.073 1.00 44.03 H new ATOM 0 HD23 LEU A 104 23.989 3.699 -6.887 1.00 44.03 H new ATOM 1664 N ARG A 105 26.682 0.448 -7.189 1.00 70.22 N ATOM 1665 CA ARG A 105 26.123 -0.591 -8.046 1.00 43.24 C ATOM 1666 C ARG A 105 26.236 -1.961 -7.384 1.00 54.12 C ATOM 1667 O ARG A 105 25.368 -2.816 -7.555 1.00 74.14 O ATOM 1668 CB ARG A 105 26.839 -0.606 -9.398 1.00 41.23 C ATOM 1669 CG ARG A 105 28.271 -1.112 -9.324 1.00 55.50 C ATOM 1670 CD ARG A 105 29.073 -0.694 -10.546 1.00 61.14 C ATOM 1671 NE ARG A 105 30.078 -1.690 -10.908 1.00 33.40 N ATOM 1672 CZ ARG A 105 31.188 -1.901 -10.210 1.00 45.35 C ATOM 1673 NH1 ARG A 105 31.435 -1.188 -9.120 1.00 23.31 N ATOM 1674 NH2 ARG A 105 32.055 -2.826 -10.603 1.00 51.23 N ATOM 0 H ARG A 105 27.419 1.003 -7.624 1.00 70.22 H new ATOM 0 HA ARG A 105 25.068 -0.368 -8.203 1.00 43.24 H new ATOM 0 HB2 ARG A 105 26.277 -1.233 -10.090 1.00 41.23 H new ATOM 0 HB3 ARG A 105 26.840 0.403 -9.810 1.00 41.23 H new ATOM 0 HG2 ARG A 105 28.749 -0.725 -8.424 1.00 55.50 H new ATOM 0 HG3 ARG A 105 28.270 -2.199 -9.242 1.00 55.50 H new ATOM 0 HD2 ARG A 105 28.397 -0.538 -11.387 1.00 61.14 H new ATOM 0 HD3 ARG A 105 29.562 0.260 -10.350 1.00 61.14 H new ATOM 0 HE ARG A 105 29.919 -2.254 -11.743 1.00 33.40 H new ATOM 0 HH11 ARG A 105 30.772 -0.475 -8.816 1.00 23.31 H new ATOM 0 HH12 ARG A 105 32.288 -1.352 -8.586 1.00 23.31 H new ATOM 0 HH21 ARG A 105 31.869 -3.376 -11.442 1.00 51.23 H new ATOM 0 HH22 ARG A 105 32.907 -2.987 -10.066 1.00 51.23 H new ATOM 1688 N GLU A 106 27.311 -2.161 -6.628 1.00 52.04 N ATOM 1689 CA GLU A 106 27.536 -3.428 -5.942 1.00 43.31 C ATOM 1690 C GLU A 106 26.892 -3.419 -4.559 1.00 33.40 C ATOM 1691 O GLU A 106 26.369 -4.435 -4.098 1.00 50.12 O ATOM 1692 CB GLU A 106 29.036 -3.705 -5.816 1.00 72.14 C ATOM 1693 CG GLU A 106 29.832 -3.320 -7.052 1.00 52.10 C ATOM 1694 CD GLU A 106 31.233 -3.901 -7.048 1.00 55.41 C ATOM 1695 OE1 GLU A 106 32.107 -3.335 -6.358 1.00 53.34 O ATOM 1696 OE2 GLU A 106 31.455 -4.920 -7.734 1.00 52.22 O ATOM 0 H GLU A 106 28.039 -1.463 -6.475 1.00 52.04 H new ATOM 0 HA GLU A 106 27.076 -4.219 -6.533 1.00 43.31 H new ATOM 0 HB2 GLU A 106 29.427 -3.159 -4.958 1.00 72.14 H new ATOM 0 HB3 GLU A 106 29.185 -4.766 -5.614 1.00 72.14 H new ATOM 0 HG2 GLU A 106 29.303 -3.663 -7.941 1.00 52.10 H new ATOM 0 HG3 GLU A 106 29.893 -2.234 -7.116 1.00 52.10 H new ATOM 1703 N THR A 107 26.933 -2.265 -3.900 1.00 23.50 N ATOM 1704 CA THR A 107 26.356 -2.124 -2.569 1.00 52.04 C ATOM 1705 C THR A 107 24.847 -2.342 -2.599 1.00 3.03 C ATOM 1706 O THR A 107 24.268 -2.874 -1.651 1.00 10.34 O ATOM 1707 CB THR A 107 26.651 -0.734 -1.974 1.00 32.42 C ATOM 1708 OG1 THR A 107 27.959 -0.302 -2.364 1.00 11.12 O ATOM 1709 CG2 THR A 107 26.553 -0.764 -0.456 1.00 35.30 C ATOM 0 H THR A 107 27.360 -1.414 -4.267 1.00 23.50 H new ATOM 0 HA THR A 107 26.818 -2.885 -1.941 1.00 52.04 H new ATOM 0 HB THR A 107 25.909 -0.034 -2.357 1.00 32.42 H new ATOM 0 HG1 THR A 107 27.943 -0.017 -3.301 1.00 11.12 H new ATOM 0 HG21 THR A 107 26.765 0.228 -0.058 1.00 35.30 H new ATOM 0 HG22 THR A 107 25.548 -1.065 -0.162 1.00 35.30 H new ATOM 0 HG23 THR A 107 27.276 -1.476 -0.059 1.00 35.30 H new ATOM 1717 N LEU A 108 24.216 -1.929 -3.692 1.00 71.10 N ATOM 1718 CA LEU A 108 22.773 -2.080 -3.845 1.00 70.13 C ATOM 1719 C LEU A 108 22.424 -3.464 -4.383 1.00 24.42 C ATOM 1720 O LEU A 108 21.314 -3.957 -4.184 1.00 12.11 O ATOM 1721 CB LEU A 108 22.224 -1.003 -4.783 1.00 64.32 C ATOM 1722 CG LEU A 108 22.055 -1.411 -6.247 1.00 34.30 C ATOM 1723 CD1 LEU A 108 20.680 -2.020 -6.475 1.00 53.14 C ATOM 1724 CD2 LEU A 108 22.269 -0.215 -7.162 1.00 51.24 C ATOM 0 H LEU A 108 24.680 -1.487 -4.485 1.00 71.10 H new ATOM 0 HA LEU A 108 22.315 -1.966 -2.863 1.00 70.13 H new ATOM 0 HB2 LEU A 108 21.255 -0.678 -4.403 1.00 64.32 H new ATOM 0 HB3 LEU A 108 22.889 -0.140 -4.741 1.00 64.32 H new ATOM 0 HG LEU A 108 22.807 -2.163 -6.484 1.00 34.30 H new ATOM 0 HD11 LEU A 108 20.577 -2.305 -7.522 1.00 53.14 H new ATOM 0 HD12 LEU A 108 20.564 -2.903 -5.846 1.00 53.14 H new ATOM 0 HD13 LEU A 108 19.912 -1.290 -6.220 1.00 53.14 H new ATOM 0 HD21 LEU A 108 22.145 -0.524 -8.200 1.00 51.24 H new ATOM 0 HD22 LEU A 108 21.540 0.560 -6.924 1.00 51.24 H new ATOM 0 HD23 LEU A 108 23.276 0.178 -7.018 1.00 51.24 H new ATOM 1736 N ASP A 109 23.381 -4.087 -5.063 1.00 32.35 N ATOM 1737 CA ASP A 109 23.176 -5.417 -5.626 1.00 44.30 C ATOM 1738 C ASP A 109 23.309 -6.489 -4.550 1.00 31.55 C ATOM 1739 O ASP A 109 22.457 -7.369 -4.429 1.00 12.12 O ATOM 1740 CB ASP A 109 24.181 -5.678 -6.750 1.00 13.52 C ATOM 1741 CG ASP A 109 24.448 -7.156 -6.956 1.00 53.41 C ATOM 1742 OD1 ASP A 109 23.471 -7.930 -7.036 1.00 11.13 O ATOM 1743 OD2 ASP A 109 25.633 -7.538 -7.039 1.00 4.13 O ATOM 0 H ASP A 109 24.305 -3.693 -5.238 1.00 32.35 H new ATOM 0 HA ASP A 109 22.166 -5.460 -6.034 1.00 44.30 H new ATOM 0 HB2 ASP A 109 23.804 -5.247 -7.678 1.00 13.52 H new ATOM 0 HB3 ASP A 109 25.118 -5.171 -6.521 1.00 13.52 H new ATOM 1748 N GLU A 110 24.384 -6.410 -3.771 1.00 74.10 N ATOM 1749 CA GLU A 110 24.628 -7.376 -2.706 1.00 53.12 C ATOM 1750 C GLU A 110 23.430 -7.462 -1.765 1.00 33.31 C ATOM 1751 O GLU A 110 23.227 -8.473 -1.090 1.00 44.30 O ATOM 1752 CB GLU A 110 25.883 -6.994 -1.918 1.00 55.35 C ATOM 1753 CG GLU A 110 27.133 -6.894 -2.776 1.00 53.23 C ATOM 1754 CD GLU A 110 27.934 -8.181 -2.792 1.00 20.02 C ATOM 1755 OE1 GLU A 110 27.314 -9.265 -2.800 1.00 32.14 O ATOM 1756 OE2 GLU A 110 29.180 -8.105 -2.796 1.00 3.22 O ATOM 0 H GLU A 110 25.099 -5.688 -3.858 1.00 74.10 H new ATOM 0 HA GLU A 110 24.779 -8.353 -3.164 1.00 53.12 H new ATOM 0 HB2 GLU A 110 25.714 -6.037 -1.424 1.00 55.35 H new ATOM 0 HB3 GLU A 110 26.049 -7.733 -1.134 1.00 55.35 H new ATOM 0 HG2 GLU A 110 26.849 -6.634 -3.796 1.00 53.23 H new ATOM 0 HG3 GLU A 110 27.761 -6.084 -2.404 1.00 53.23 H new ATOM 1763 N LEU A 111 22.639 -6.396 -1.725 1.00 14.14 N ATOM 1764 CA LEU A 111 21.460 -6.349 -0.866 1.00 21.51 C ATOM 1765 C LEU A 111 20.202 -6.715 -1.647 1.00 63.14 C ATOM 1766 O LEU A 111 19.411 -7.554 -1.214 1.00 63.34 O ATOM 1767 CB LEU A 111 21.306 -4.957 -0.252 1.00 44.34 C ATOM 1768 CG LEU A 111 19.917 -4.608 0.282 1.00 33.30 C ATOM 1769 CD1 LEU A 111 20.024 -3.702 1.498 1.00 3.32 C ATOM 1770 CD2 LEU A 111 19.077 -3.950 -0.803 1.00 64.34 C ATOM 0 H LEU A 111 22.792 -5.552 -2.277 1.00 14.14 H new ATOM 0 HA LEU A 111 21.594 -7.078 -0.067 1.00 21.51 H new ATOM 0 HB2 LEU A 111 22.022 -4.861 0.565 1.00 44.34 H new ATOM 0 HB3 LEU A 111 21.580 -4.218 -1.005 1.00 44.34 H new ATOM 0 HG LEU A 111 19.424 -5.532 0.585 1.00 33.30 H new ATOM 0 HD11 LEU A 111 19.025 -3.465 1.864 1.00 3.32 H new ATOM 0 HD12 LEU A 111 20.586 -4.210 2.282 1.00 3.32 H new ATOM 0 HD13 LEU A 111 20.538 -2.781 1.222 1.00 3.32 H new ATOM 0 HD21 LEU A 111 18.092 -3.709 -0.404 1.00 64.34 H new ATOM 0 HD22 LEU A 111 19.567 -3.036 -1.138 1.00 64.34 H new ATOM 0 HD23 LEU A 111 18.970 -4.634 -1.645 1.00 64.34 H new ATOM 1782 N LEU A 112 20.024 -6.082 -2.802 1.00 3.15 N ATOM 1783 CA LEU A 112 18.863 -6.342 -3.646 1.00 3.02 C ATOM 1784 C LEU A 112 18.826 -7.802 -4.086 1.00 45.24 C ATOM 1785 O LEU A 112 17.780 -8.315 -4.481 1.00 60.02 O ATOM 1786 CB LEU A 112 18.885 -5.428 -4.872 1.00 13.40 C ATOM 1787 CG LEU A 112 17.596 -5.377 -5.694 1.00 2.32 C ATOM 1788 CD1 LEU A 112 16.407 -5.057 -4.802 1.00 34.00 C ATOM 1789 CD2 LEU A 112 17.717 -4.352 -6.812 1.00 62.13 C ATOM 0 H LEU A 112 20.669 -5.385 -3.175 1.00 3.15 H new ATOM 0 HA LEU A 112 17.966 -6.135 -3.062 1.00 3.02 H new ATOM 0 HB2 LEU A 112 19.122 -4.417 -4.542 1.00 13.40 H new ATOM 0 HB3 LEU A 112 19.696 -5.749 -5.525 1.00 13.40 H new ATOM 0 HG LEU A 112 17.434 -6.357 -6.143 1.00 2.32 H new ATOM 0 HD11 LEU A 112 15.499 -5.025 -5.404 1.00 34.00 H new ATOM 0 HD12 LEU A 112 16.308 -5.827 -4.037 1.00 34.00 H new ATOM 0 HD13 LEU A 112 16.560 -4.089 -4.325 1.00 34.00 H new ATOM 0 HD21 LEU A 112 16.791 -4.329 -7.387 1.00 62.13 H new ATOM 0 HD22 LEU A 112 17.903 -3.367 -6.384 1.00 62.13 H new ATOM 0 HD23 LEU A 112 18.544 -4.625 -7.468 1.00 62.13 H new ATOM 1801 N ALA A 113 19.976 -8.466 -4.014 1.00 14.41 N ATOM 1802 CA ALA A 113 20.074 -9.867 -4.401 1.00 73.41 C ATOM 1803 C ALA A 113 19.464 -10.775 -3.338 1.00 3.43 C ATOM 1804 O ALA A 113 19.016 -11.882 -3.636 1.00 14.42 O ATOM 1805 CB ALA A 113 21.526 -10.245 -4.651 1.00 22.41 C ATOM 0 H ALA A 113 20.852 -8.055 -3.691 1.00 14.41 H new ATOM 0 HA ALA A 113 19.510 -10.003 -5.324 1.00 73.41 H new ATOM 0 HB1 ALA A 113 21.584 -11.295 -4.939 1.00 22.41 H new ATOM 0 HB2 ALA A 113 21.931 -9.626 -5.452 1.00 22.41 H new ATOM 0 HB3 ALA A 113 22.105 -10.086 -3.741 1.00 22.41 H new ATOM 1811 N ARG A 114 19.452 -10.299 -2.097 1.00 4.12 N ATOM 1812 CA ARG A 114 18.900 -11.069 -0.989 1.00 13.42 C ATOM 1813 C ARG A 114 17.407 -11.312 -1.187 1.00 75.04 C ATOM 1814 O ARG A 114 16.958 -12.457 -1.261 1.00 54.34 O ATOM 1815 CB ARG A 114 19.137 -10.339 0.335 1.00 72.41 C ATOM 1816 CG ARG A 114 20.583 -10.380 0.802 1.00 54.40 C ATOM 1817 CD ARG A 114 20.883 -9.256 1.782 1.00 71.30 C ATOM 1818 NE ARG A 114 20.129 -9.398 3.025 1.00 51.13 N ATOM 1819 CZ ARG A 114 20.485 -10.213 4.012 1.00 40.44 C ATOM 1820 NH1 ARG A 114 21.579 -10.954 3.901 1.00 35.25 N ATOM 1821 NH2 ARG A 114 19.747 -10.286 5.112 1.00 70.11 N ATOM 0 H ARG A 114 19.818 -9.384 -1.834 1.00 4.12 H new ATOM 0 HA ARG A 114 19.407 -12.033 -0.961 1.00 13.42 H new ATOM 0 HB2 ARG A 114 18.828 -9.299 0.227 1.00 72.41 H new ATOM 0 HB3 ARG A 114 18.503 -10.782 1.103 1.00 72.41 H new ATOM 0 HG2 ARG A 114 20.787 -11.341 1.275 1.00 54.40 H new ATOM 0 HG3 ARG A 114 21.247 -10.301 -0.059 1.00 54.40 H new ATOM 0 HD2 ARG A 114 21.950 -9.244 2.005 1.00 71.30 H new ATOM 0 HD3 ARG A 114 20.643 -8.298 1.320 1.00 71.30 H new ATOM 0 HE ARG A 114 19.283 -8.841 3.142 1.00 51.13 H new ATOM 0 HH11 ARG A 114 22.149 -10.899 3.057 1.00 35.25 H new ATOM 0 HH12 ARG A 114 21.851 -11.579 4.660 1.00 35.25 H new ATOM 0 HH21 ARG A 114 18.906 -9.716 5.200 1.00 70.11 H new ATOM 0 HH22 ARG A 114 20.021 -10.912 5.869 1.00 70.11 H new ATOM 1835 N LEU A 115 16.642 -10.229 -1.272 1.00 41.05 N ATOM 1836 CA LEU A 115 15.199 -10.324 -1.462 1.00 72.11 C ATOM 1837 C LEU A 115 14.855 -10.527 -2.934 1.00 61.13 C ATOM 1838 O LEU A 115 14.348 -11.578 -3.323 1.00 60.53 O ATOM 1839 CB LEU A 115 14.511 -9.063 -0.935 1.00 61.42 C ATOM 1840 CG LEU A 115 13.633 -9.245 0.304 1.00 65.43 C ATOM 1841 CD1 LEU A 115 12.583 -10.318 0.061 1.00 52.34 C ATOM 1842 CD2 LEU A 115 14.486 -9.596 1.514 1.00 21.33 C ATOM 0 H LEU A 115 16.997 -9.275 -1.212 1.00 41.05 H new ATOM 0 HA LEU A 115 14.840 -11.188 -0.902 1.00 72.11 H new ATOM 0 HB2 LEU A 115 15.278 -8.323 -0.706 1.00 61.42 H new ATOM 0 HB3 LEU A 115 13.896 -8.648 -1.734 1.00 61.42 H new ATOM 0 HG LEU A 115 13.121 -8.304 0.505 1.00 65.43 H new ATOM 0 HD11 LEU A 115 11.968 -10.434 0.953 1.00 52.34 H new ATOM 0 HD12 LEU A 115 11.953 -10.027 -0.779 1.00 52.34 H new ATOM 0 HD13 LEU A 115 13.075 -11.264 -0.166 1.00 52.34 H new ATOM 0 HD21 LEU A 115 13.845 -9.722 2.387 1.00 21.33 H new ATOM 0 HD22 LEU A 115 15.025 -10.524 1.322 1.00 21.33 H new ATOM 0 HD23 LEU A 115 15.200 -8.794 1.701 1.00 21.33 H new ATOM 1854 N GLU A 116 15.137 -9.514 -3.748 1.00 21.04 N ATOM 1855 CA GLU A 116 14.859 -9.583 -5.177 1.00 54.13 C ATOM 1856 C GLU A 116 16.079 -10.082 -5.946 1.00 0.31 C ATOM 1857 O GLU A 116 15.948 -10.757 -6.966 1.00 25.30 O ATOM 1858 CB GLU A 116 14.437 -8.210 -5.704 1.00 52.31 C ATOM 1859 CG GLU A 116 12.965 -8.124 -6.071 1.00 72.52 C ATOM 1860 CD GLU A 116 12.534 -9.229 -7.017 1.00 24.14 C ATOM 1861 OE1 GLU A 116 13.302 -9.542 -7.951 1.00 53.53 O ATOM 1862 OE2 GLU A 116 11.431 -9.781 -6.822 1.00 42.35 O ATOM 0 H GLU A 116 15.558 -8.637 -3.442 1.00 21.04 H new ATOM 0 HA GLU A 116 14.042 -10.289 -5.328 1.00 54.13 H new ATOM 0 HB2 GLU A 116 14.659 -7.456 -4.948 1.00 52.31 H new ATOM 0 HB3 GLU A 116 15.036 -7.967 -6.582 1.00 52.31 H new ATOM 0 HG2 GLU A 116 12.364 -8.174 -5.163 1.00 72.52 H new ATOM 0 HG3 GLU A 116 12.765 -7.157 -6.533 1.00 72.52 H new