USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 610 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 80 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 81 GLN : amide:sc= -0.744 K(o=-0.74,f=-4.8!) USER MOD Single : A 14 SER OG : rot 180:sc= -2! USER MOD Single : A 15 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.26) USER MOD Single : A 16 GLN : amide:sc= -0.51 K(o=-0.51,f=-2.4) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0018 USER MOD Single : A 36 SER OG : rot 18:sc= 0.428 USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= -0.25 (180deg=-2.05!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 44 TYR OH : rot 173:sc= 0.708 USER MOD Single : A 49 LYS NZ :NH3+ -109:sc= -0.0615 (180deg=-2.41!) USER MOD Single : A 50 GLN : amide:sc= -0.0926 K(o=-0.093,f=-1.5!) USER MOD Single : A 51 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0117) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -1.17 USER MOD Single : A 60 SER OG : rot -160:sc= -0.0845 USER MOD Single : A 62 MET CE :methyl 169:sc=-0.00353 (180deg=-0.119) USER MOD Single : A 63 ASN : amide:sc= -0.722 K(o=-0.72,f=-1.3) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -147:sc= -0.0119 (180deg=-0.919) USER MOD Single : A 72 ASN : amide:sc= 0.254 X(o=0.25,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -34:sc= 0.298 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 165:sc= -0.087 (180deg=-0.335) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 61:sc= 1.16 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -99:sc= 0.941 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 9.806 -5.223 8.928 1.00 0.02 N ATOM 195 CA ARG A 13 8.695 -4.294 9.087 1.00 35.45 C ATOM 196 C ARG A 13 8.473 -3.487 7.811 1.00 42.55 C ATOM 197 O ARG A 13 7.340 -3.321 7.358 1.00 43.44 O ATOM 198 CB ARG A 13 8.955 -3.349 10.262 1.00 71.34 C ATOM 199 CG ARG A 13 8.542 -3.922 11.608 1.00 41.15 C ATOM 200 CD ARG A 13 8.282 -2.823 12.625 1.00 3.41 C ATOM 201 NE ARG A 13 7.828 -3.358 13.906 1.00 54.23 N ATOM 202 CZ ARG A 13 8.624 -3.981 14.767 1.00 4.21 C ATOM 203 NH1 ARG A 13 9.910 -4.145 14.486 1.00 32.33 N ATOM 204 NH2 ARG A 13 8.136 -4.440 15.912 1.00 60.11 N ATOM 0 HA ARG A 13 7.796 -4.875 9.290 1.00 35.45 H new ATOM 0 HB2 ARG A 13 10.017 -3.103 10.292 1.00 71.34 H new ATOM 0 HB3 ARG A 13 8.417 -2.416 10.093 1.00 71.34 H new ATOM 0 HG2 ARG A 13 7.643 -4.527 11.487 1.00 41.15 H new ATOM 0 HG3 ARG A 13 9.325 -4.584 11.978 1.00 41.15 H new ATOM 0 HD2 ARG A 13 9.194 -2.246 12.776 1.00 3.41 H new ATOM 0 HD3 ARG A 13 7.532 -2.136 12.233 1.00 3.41 H new ATOM 0 HE ARG A 13 6.845 -3.247 14.153 1.00 54.23 H new ATOM 0 HH11 ARG A 13 10.289 -3.792 13.607 1.00 32.33 H new ATOM 0 HH12 ARG A 13 10.520 -4.624 15.149 1.00 32.33 H new ATOM 0 HH21 ARG A 13 7.148 -4.315 16.132 1.00 60.11 H new ATOM 0 HH22 ARG A 13 8.749 -4.918 16.572 1.00 60.11 H new ATOM 218 N SER A 14 9.563 -2.988 7.236 1.00 62.11 N ATOM 219 CA SER A 14 9.488 -2.194 6.015 1.00 63.34 C ATOM 220 C SER A 14 8.989 -3.041 4.848 1.00 41.23 C ATOM 221 O SER A 14 8.092 -2.635 4.111 1.00 43.30 O ATOM 222 CB SER A 14 10.859 -1.602 5.682 1.00 72.13 C ATOM 223 OG SER A 14 10.999 -0.303 6.229 1.00 11.41 O ATOM 0 H SER A 14 10.508 -3.120 7.596 1.00 62.11 H new ATOM 0 HA SER A 14 8.781 -1.381 6.181 1.00 63.34 H new ATOM 0 HB2 SER A 14 11.643 -2.251 6.072 1.00 72.13 H new ATOM 0 HB3 SER A 14 10.988 -1.561 4.600 1.00 72.13 H new ATOM 0 HG SER A 14 11.884 0.053 6.004 1.00 11.41 H new ATOM 229 N ASN A 15 9.580 -4.221 4.685 1.00 30.24 N ATOM 230 CA ASN A 15 9.197 -5.126 3.608 1.00 73.42 C ATOM 231 C ASN A 15 7.798 -5.688 3.840 1.00 31.05 C ATOM 232 O ASN A 15 7.175 -6.226 2.926 1.00 34.00 O ATOM 233 CB ASN A 15 10.206 -6.270 3.491 1.00 25.44 C ATOM 234 CG ASN A 15 9.719 -7.380 2.581 1.00 53.11 C ATOM 235 OD1 ASN A 15 9.482 -7.164 1.392 1.00 33.11 O ATOM 236 ND2 ASN A 15 9.567 -8.577 3.136 1.00 62.02 N ATOM 0 H ASN A 15 10.326 -4.572 5.285 1.00 30.24 H new ATOM 0 HA ASN A 15 9.191 -4.559 2.677 1.00 73.42 H new ATOM 0 HB2 ASN A 15 11.150 -5.880 3.111 1.00 25.44 H new ATOM 0 HB3 ASN A 15 10.405 -6.678 4.482 1.00 25.44 H new ATOM 0 HD21 ASN A 15 9.242 -9.363 2.573 1.00 62.02 H new ATOM 0 HD22 ASN A 15 9.775 -8.711 4.126 1.00 62.02 H new ATOM 243 N GLN A 16 7.311 -5.558 5.071 1.00 61.31 N ATOM 244 CA GLN A 16 5.986 -6.055 5.424 1.00 12.42 C ATOM 245 C GLN A 16 4.912 -5.394 4.566 1.00 55.13 C ATOM 246 O GLN A 16 4.123 -6.072 3.910 1.00 63.34 O ATOM 247 CB GLN A 16 5.701 -5.799 6.905 1.00 74.45 C ATOM 248 CG GLN A 16 5.035 -6.973 7.606 1.00 13.13 C ATOM 249 CD GLN A 16 5.324 -7.004 9.094 1.00 42.41 C ATOM 250 OE1 GLN A 16 5.784 -6.017 9.670 1.00 72.11 O ATOM 251 NE2 GLN A 16 5.058 -8.142 9.725 1.00 52.12 N ATOM 0 H GLN A 16 7.814 -5.113 5.839 1.00 61.31 H new ATOM 0 HA GLN A 16 5.965 -7.129 5.237 1.00 12.42 H new ATOM 0 HB2 GLN A 16 6.637 -5.567 7.412 1.00 74.45 H new ATOM 0 HB3 GLN A 16 5.062 -4.921 6.997 1.00 74.45 H new ATOM 0 HG2 GLN A 16 3.957 -6.921 7.450 1.00 13.13 H new ATOM 0 HG3 GLN A 16 5.378 -7.904 7.154 1.00 13.13 H new ATOM 0 HE21 GLN A 16 4.677 -8.935 9.208 1.00 52.12 H new ATOM 0 HE22 GLN A 16 5.234 -8.223 10.726 1.00 52.12 H new ATOM 260 N ALA A 17 4.887 -4.065 4.577 1.00 53.00 N ATOM 261 CA ALA A 17 3.911 -3.312 3.799 1.00 71.05 C ATOM 262 C ALA A 17 3.883 -3.784 2.349 1.00 45.31 C ATOM 263 O ALA A 17 2.815 -3.974 1.769 1.00 14.20 O ATOM 264 CB ALA A 17 4.216 -1.823 3.866 1.00 45.13 C ATOM 0 H ALA A 17 5.532 -3.488 5.116 1.00 53.00 H new ATOM 0 HA ALA A 17 2.926 -3.489 4.230 1.00 71.05 H new ATOM 0 HB1 ALA A 17 3.479 -1.274 3.280 1.00 45.13 H new ATOM 0 HB2 ALA A 17 4.177 -1.490 4.903 1.00 45.13 H new ATOM 0 HB3 ALA A 17 5.211 -1.637 3.463 1.00 45.13 H new ATOM 270 N GLU A 18 5.065 -3.970 1.769 1.00 23.41 N ATOM 271 CA GLU A 18 5.175 -4.419 0.386 1.00 43.43 C ATOM 272 C GLU A 18 4.392 -5.709 0.169 1.00 75.42 C ATOM 273 O GLU A 18 3.606 -5.820 -0.771 1.00 61.33 O ATOM 274 CB GLU A 18 6.643 -4.631 0.010 1.00 11.54 C ATOM 275 CG GLU A 18 6.837 -5.252 -1.363 1.00 35.12 C ATOM 276 CD GLU A 18 8.287 -5.581 -1.656 1.00 1.20 C ATOM 277 OE1 GLU A 18 9.104 -4.640 -1.742 1.00 24.45 O ATOM 278 OE2 GLU A 18 8.605 -6.780 -1.797 1.00 51.44 O ATOM 0 H GLU A 18 5.959 -3.817 2.235 1.00 23.41 H new ATOM 0 HA GLU A 18 4.752 -3.645 -0.255 1.00 43.43 H new ATOM 0 HB2 GLU A 18 7.159 -3.672 0.042 1.00 11.54 H new ATOM 0 HB3 GLU A 18 7.112 -5.270 0.758 1.00 11.54 H new ATOM 0 HG2 GLU A 18 6.241 -6.162 -1.433 1.00 35.12 H new ATOM 0 HG3 GLU A 18 6.463 -4.566 -2.124 1.00 35.12 H new ATOM 285 N ASN A 19 4.613 -6.683 1.045 1.00 70.52 N ATOM 286 CA ASN A 19 3.929 -7.968 0.950 1.00 74.24 C ATOM 287 C ASN A 19 2.429 -7.805 1.183 1.00 5.11 C ATOM 288 O ASN A 19 1.615 -8.463 0.535 1.00 3.03 O ATOM 289 CB ASN A 19 4.509 -8.956 1.962 1.00 44.12 C ATOM 290 CG ASN A 19 3.597 -10.144 2.201 1.00 43.45 C ATOM 291 OD1 ASN A 19 3.109 -10.764 1.256 1.00 74.52 O ATOM 292 ND2 ASN A 19 3.364 -10.466 3.467 1.00 62.32 N ATOM 0 H ASN A 19 5.261 -6.607 1.829 1.00 70.52 H new ATOM 0 HA ASN A 19 4.082 -8.358 -0.056 1.00 74.24 H new ATOM 0 HB2 ASN A 19 5.476 -9.310 1.606 1.00 44.12 H new ATOM 0 HB3 ASN A 19 4.686 -8.442 2.907 1.00 44.12 H new ATOM 0 HD21 ASN A 19 2.759 -11.256 3.689 1.00 62.32 H new ATOM 0 HD22 ASN A 19 3.790 -9.923 4.218 1.00 62.32 H new ATOM 299 N ILE A 20 2.074 -6.924 2.112 1.00 60.03 N ATOM 300 CA ILE A 20 0.674 -6.674 2.430 1.00 14.10 C ATOM 301 C ILE A 20 -0.090 -6.185 1.204 1.00 61.34 C ATOM 302 O ILE A 20 -1.099 -6.774 0.813 1.00 44.01 O ATOM 303 CB ILE A 20 0.530 -5.635 3.558 1.00 21.33 C ATOM 304 CG1 ILE A 20 1.161 -6.161 4.849 1.00 41.51 C ATOM 305 CG2 ILE A 20 -0.936 -5.293 3.780 1.00 4.11 C ATOM 306 CD1 ILE A 20 1.568 -5.068 5.811 1.00 1.42 C ATOM 0 H ILE A 20 2.736 -6.372 2.657 1.00 60.03 H new ATOM 0 HA ILE A 20 0.252 -7.622 2.764 1.00 14.10 H new ATOM 0 HB ILE A 20 1.054 -4.726 3.263 1.00 21.33 H new ATOM 0 HG12 ILE A 20 0.454 -6.826 5.345 1.00 41.51 H new ATOM 0 HG13 ILE A 20 2.038 -6.758 4.598 1.00 41.51 H new ATOM 0 HG21 ILE A 20 -1.021 -4.558 4.580 1.00 4.11 H new ATOM 0 HG22 ILE A 20 -1.357 -4.881 2.863 1.00 4.11 H new ATOM 0 HG23 ILE A 20 -1.482 -6.195 4.057 1.00 4.11 H new ATOM 0 HD11 ILE A 20 2.008 -5.514 6.703 1.00 1.42 H new ATOM 0 HD12 ILE A 20 2.299 -4.416 5.333 1.00 1.42 H new ATOM 0 HD13 ILE A 20 0.691 -4.485 6.091 1.00 1.42 H new ATOM 318 N ILE A 21 0.399 -5.107 0.601 1.00 13.12 N ATOM 319 CA ILE A 21 -0.236 -4.541 -0.584 1.00 20.01 C ATOM 320 C ILE A 21 -0.480 -5.612 -1.641 1.00 41.31 C ATOM 321 O ILE A 21 -1.520 -5.625 -2.300 1.00 44.23 O ATOM 322 CB ILE A 21 0.618 -3.415 -1.195 1.00 52.44 C ATOM 323 CG1 ILE A 21 0.827 -2.292 -0.177 1.00 73.25 C ATOM 324 CG2 ILE A 21 -0.041 -2.877 -2.458 1.00 21.41 C ATOM 325 CD1 ILE A 21 1.834 -1.255 -0.621 1.00 1.51 C ATOM 0 H ILE A 21 1.232 -4.608 0.913 1.00 13.12 H new ATOM 0 HA ILE A 21 -1.192 -4.127 -0.264 1.00 20.01 H new ATOM 0 HB ILE A 21 1.593 -3.823 -1.462 1.00 52.44 H new ATOM 0 HG12 ILE A 21 -0.128 -1.802 0.012 1.00 73.25 H new ATOM 0 HG13 ILE A 21 1.156 -2.725 0.768 1.00 73.25 H new ATOM 0 HG21 ILE A 21 0.574 -2.082 -2.879 1.00 21.41 H new ATOM 0 HG22 ILE A 21 -0.142 -3.681 -3.187 1.00 21.41 H new ATOM 0 HG23 ILE A 21 -1.027 -2.482 -2.214 1.00 21.41 H new ATOM 0 HD11 ILE A 21 1.932 -0.490 0.149 1.00 1.51 H new ATOM 0 HD12 ILE A 21 2.800 -1.732 -0.783 1.00 1.51 H new ATOM 0 HD13 ILE A 21 1.497 -0.795 -1.550 1.00 1.51 H new ATOM 337 N THR A 22 0.487 -6.512 -1.798 1.00 0.43 N ATOM 338 CA THR A 22 0.378 -7.588 -2.775 1.00 73.35 C ATOM 339 C THR A 22 -0.885 -8.411 -2.548 1.00 62.44 C ATOM 340 O THR A 22 -1.451 -8.969 -3.487 1.00 54.14 O ATOM 341 CB THR A 22 1.602 -8.521 -2.721 1.00 62.33 C ATOM 342 OG1 THR A 22 2.800 -7.750 -2.589 1.00 43.54 O ATOM 343 CG2 THR A 22 1.682 -9.381 -3.974 1.00 40.32 C ATOM 0 H THR A 22 1.354 -6.516 -1.261 1.00 0.43 H new ATOM 0 HA THR A 22 0.331 -7.119 -3.758 1.00 73.35 H new ATOM 0 HB THR A 22 1.495 -9.175 -1.856 1.00 62.33 H new ATOM 0 HG1 THR A 22 3.573 -8.351 -2.554 1.00 43.54 H new ATOM 0 HG21 THR A 22 2.554 -10.032 -3.914 1.00 40.32 H new ATOM 0 HG22 THR A 22 0.781 -9.989 -4.056 1.00 40.32 H new ATOM 0 HG23 THR A 22 1.768 -8.739 -4.851 1.00 40.32 H new ATOM 351 N ASP A 23 -1.322 -8.482 -1.296 1.00 23.21 N ATOM 352 CA ASP A 23 -2.520 -9.236 -0.945 1.00 44.12 C ATOM 353 C ASP A 23 -3.745 -8.672 -1.659 1.00 31.33 C ATOM 354 O ASP A 23 -4.280 -9.292 -2.579 1.00 52.31 O ATOM 355 CB ASP A 23 -2.740 -9.211 0.569 1.00 65.34 C ATOM 356 CG ASP A 23 -3.913 -10.070 0.997 1.00 61.12 C ATOM 357 OD1 ASP A 23 -5.065 -9.609 0.860 1.00 75.22 O ATOM 358 OD2 ASP A 23 -3.680 -11.202 1.471 1.00 45.55 O ATOM 0 H ASP A 23 -0.864 -8.026 -0.506 1.00 23.21 H new ATOM 0 HA ASP A 23 -2.377 -10.268 -1.266 1.00 44.12 H new ATOM 0 HB2 ASP A 23 -1.837 -9.559 1.070 1.00 65.34 H new ATOM 0 HB3 ASP A 23 -2.909 -8.184 0.892 1.00 65.34 H new ATOM 363 N LEU A 24 -4.185 -7.495 -1.227 1.00 21.51 N ATOM 364 CA LEU A 24 -5.348 -6.848 -1.824 1.00 63.45 C ATOM 365 C LEU A 24 -5.243 -6.835 -3.345 1.00 52.35 C ATOM 366 O LEU A 24 -6.235 -7.033 -4.050 1.00 21.35 O ATOM 367 CB LEU A 24 -5.486 -5.418 -1.298 1.00 34.51 C ATOM 368 CG LEU A 24 -5.786 -5.278 0.194 1.00 22.14 C ATOM 369 CD1 LEU A 24 -6.092 -3.830 0.544 1.00 50.10 C ATOM 370 CD2 LEU A 24 -6.944 -6.182 0.594 1.00 45.32 C ATOM 0 H LEU A 24 -3.754 -6.970 -0.466 1.00 21.51 H new ATOM 0 HA LEU A 24 -6.234 -7.418 -1.545 1.00 63.45 H new ATOM 0 HB2 LEU A 24 -4.562 -4.882 -1.514 1.00 34.51 H new ATOM 0 HB3 LEU A 24 -6.280 -4.922 -1.856 1.00 34.51 H new ATOM 0 HG LEU A 24 -4.902 -5.586 0.752 1.00 22.14 H new ATOM 0 HD11 LEU A 24 -6.303 -3.750 1.610 1.00 50.10 H new ATOM 0 HD12 LEU A 24 -5.233 -3.206 0.296 1.00 50.10 H new ATOM 0 HD13 LEU A 24 -6.960 -3.494 -0.024 1.00 50.10 H new ATOM 0 HD21 LEU A 24 -7.143 -6.069 1.660 1.00 45.32 H new ATOM 0 HD22 LEU A 24 -7.833 -5.906 0.028 1.00 45.32 H new ATOM 0 HD23 LEU A 24 -6.686 -7.219 0.382 1.00 45.32 H new ATOM 382 N LEU A 25 -4.035 -6.602 -3.847 1.00 61.35 N ATOM 383 CA LEU A 25 -3.799 -6.566 -5.287 1.00 33.14 C ATOM 384 C LEU A 25 -4.269 -7.858 -5.949 1.00 12.14 C ATOM 385 O LEU A 25 -5.065 -7.831 -6.888 1.00 72.12 O ATOM 386 CB LEU A 25 -2.313 -6.344 -5.574 1.00 53.44 C ATOM 387 CG LEU A 25 -1.909 -4.917 -5.946 1.00 43.34 C ATOM 388 CD1 LEU A 25 -2.437 -3.927 -4.920 1.00 73.14 C ATOM 389 CD2 LEU A 25 -0.395 -4.806 -6.067 1.00 23.04 C ATOM 0 H LEU A 25 -3.204 -6.435 -3.279 1.00 61.35 H new ATOM 0 HA LEU A 25 -4.372 -5.737 -5.704 1.00 33.14 H new ATOM 0 HB2 LEU A 25 -1.744 -6.644 -4.694 1.00 53.44 H new ATOM 0 HB3 LEU A 25 -2.017 -7.008 -6.386 1.00 53.44 H new ATOM 0 HG LEU A 25 -2.350 -4.676 -6.913 1.00 43.34 H new ATOM 0 HD11 LEU A 25 -2.139 -2.917 -5.202 1.00 73.14 H new ATOM 0 HD12 LEU A 25 -3.525 -3.987 -4.882 1.00 73.14 H new ATOM 0 HD13 LEU A 25 -2.026 -4.166 -3.939 1.00 73.14 H new ATOM 0 HD21 LEU A 25 -0.125 -3.784 -6.332 1.00 23.04 H new ATOM 0 HD22 LEU A 25 0.066 -5.068 -5.115 1.00 23.04 H new ATOM 0 HD23 LEU A 25 -0.041 -5.487 -6.841 1.00 23.04 H new ATOM 401 N ASP A 26 -3.773 -8.985 -5.452 1.00 0.02 N ATOM 402 CA ASP A 26 -4.145 -10.288 -5.992 1.00 50.41 C ATOM 403 C ASP A 26 -5.640 -10.538 -5.826 1.00 63.32 C ATOM 404 O ASP A 26 -6.289 -11.095 -6.711 1.00 65.04 O ATOM 405 CB ASP A 26 -3.348 -11.397 -5.303 1.00 14.52 C ATOM 406 CG ASP A 26 -3.171 -12.616 -6.185 1.00 21.31 C ATOM 407 OD1 ASP A 26 -2.171 -12.668 -6.930 1.00 11.12 O ATOM 408 OD2 ASP A 26 -4.032 -13.519 -6.129 1.00 52.45 O ATOM 0 H ASP A 26 -3.112 -9.023 -4.676 1.00 0.02 H new ATOM 0 HA ASP A 26 -3.911 -10.293 -7.057 1.00 50.41 H new ATOM 0 HB2 ASP A 26 -2.368 -11.013 -5.018 1.00 14.52 H new ATOM 0 HB3 ASP A 26 -3.856 -11.688 -4.384 1.00 14.52 H new ATOM 413 N ASP A 27 -6.181 -10.126 -4.685 1.00 2.13 N ATOM 414 CA ASP A 27 -7.600 -10.306 -4.401 1.00 51.32 C ATOM 415 C ASP A 27 -8.456 -9.545 -5.409 1.00 0.43 C ATOM 416 O ASP A 27 -9.352 -10.114 -6.032 1.00 33.31 O ATOM 417 CB ASP A 27 -7.921 -9.836 -2.981 1.00 53.42 C ATOM 418 CG ASP A 27 -9.249 -10.373 -2.481 1.00 44.23 C ATOM 419 OD1 ASP A 27 -10.119 -10.678 -3.322 1.00 62.41 O ATOM 420 OD2 ASP A 27 -9.415 -10.487 -1.249 1.00 14.24 O ATOM 0 H ASP A 27 -5.658 -9.665 -3.941 1.00 2.13 H new ATOM 0 HA ASP A 27 -7.831 -11.368 -4.484 1.00 51.32 H new ATOM 0 HB2 ASP A 27 -7.126 -10.155 -2.307 1.00 53.42 H new ATOM 0 HB3 ASP A 27 -7.941 -8.746 -2.957 1.00 53.42 H new ATOM 425 N LEU A 28 -8.174 -8.256 -5.562 1.00 15.34 N ATOM 426 CA LEU A 28 -8.920 -7.416 -6.493 1.00 12.50 C ATOM 427 C LEU A 28 -8.444 -7.635 -7.925 1.00 71.01 C ATOM 428 O LEU A 28 -8.972 -7.041 -8.865 1.00 53.22 O ATOM 429 CB LEU A 28 -8.769 -5.942 -6.113 1.00 1.50 C ATOM 430 CG LEU A 28 -7.551 -5.221 -6.693 1.00 3.43 C ATOM 431 CD1 LEU A 28 -7.922 -4.493 -7.975 1.00 51.44 C ATOM 432 CD2 LEU A 28 -6.971 -4.250 -5.675 1.00 54.54 C ATOM 0 H LEU A 28 -7.435 -7.770 -5.054 1.00 15.34 H new ATOM 0 HA LEU A 28 -9.972 -7.695 -6.433 1.00 12.50 H new ATOM 0 HB2 LEU A 28 -9.666 -5.411 -6.432 1.00 1.50 H new ATOM 0 HB3 LEU A 28 -8.725 -5.870 -5.026 1.00 1.50 H new ATOM 0 HG LEU A 28 -6.791 -5.966 -6.929 1.00 3.43 H new ATOM 0 HD11 LEU A 28 -7.043 -3.986 -8.373 1.00 51.44 H new ATOM 0 HD12 LEU A 28 -8.290 -5.211 -8.708 1.00 51.44 H new ATOM 0 HD13 LEU A 28 -8.700 -3.759 -7.765 1.00 51.44 H new ATOM 0 HD21 LEU A 28 -6.105 -3.746 -6.105 1.00 54.54 H new ATOM 0 HD22 LEU A 28 -7.725 -3.510 -5.407 1.00 54.54 H new ATOM 0 HD23 LEU A 28 -6.666 -4.797 -4.783 1.00 54.54 H new ATOM 552 N SER A 36 -8.765 0.348 -11.150 1.00 40.23 N ATOM 553 CA SER A 36 -8.138 1.655 -11.309 1.00 74.31 C ATOM 554 C SER A 36 -7.650 2.190 -9.967 1.00 23.03 C ATOM 555 O SER A 36 -6.649 2.905 -9.896 1.00 62.14 O ATOM 556 CB SER A 36 -9.125 2.643 -11.936 1.00 45.42 C ATOM 557 OG SER A 36 -9.932 2.008 -12.911 1.00 71.25 O ATOM 0 HA SER A 36 -7.278 1.541 -11.969 1.00 74.31 H new ATOM 0 HB2 SER A 36 -9.758 3.072 -11.159 1.00 45.42 H new ATOM 0 HB3 SER A 36 -8.578 3.468 -12.393 1.00 45.42 H new ATOM 0 HG SER A 36 -9.894 1.037 -12.785 1.00 71.25 H new ATOM 563 N LEU A 37 -8.363 1.839 -8.902 1.00 2.41 N ATOM 564 CA LEU A 37 -8.003 2.283 -7.560 1.00 74.02 C ATOM 565 C LEU A 37 -6.672 1.678 -7.124 1.00 74.02 C ATOM 566 O LEU A 37 -5.823 2.363 -6.554 1.00 74.24 O ATOM 567 CB LEU A 37 -9.101 1.902 -6.564 1.00 3.51 C ATOM 568 CG LEU A 37 -8.897 2.381 -5.127 1.00 32.12 C ATOM 569 CD1 LEU A 37 -7.944 1.457 -4.384 1.00 75.33 C ATOM 570 CD2 LEU A 37 -8.378 3.811 -5.110 1.00 2.23 C ATOM 0 H LEU A 37 -9.194 1.248 -8.942 1.00 2.41 H new ATOM 0 HA LEU A 37 -7.898 3.368 -7.579 1.00 74.02 H new ATOM 0 HB2 LEU A 37 -10.048 2.300 -6.928 1.00 3.51 H new ATOM 0 HB3 LEU A 37 -9.194 0.816 -6.554 1.00 3.51 H new ATOM 0 HG LEU A 37 -9.861 2.359 -4.618 1.00 32.12 H new ATOM 0 HD11 LEU A 37 -7.812 1.815 -3.363 1.00 75.33 H new ATOM 0 HD12 LEU A 37 -8.357 0.448 -4.364 1.00 75.33 H new ATOM 0 HD13 LEU A 37 -6.980 1.444 -4.892 1.00 75.33 H new ATOM 0 HD21 LEU A 37 -8.239 4.135 -4.079 1.00 2.23 H new ATOM 0 HD22 LEU A 37 -7.425 3.859 -5.637 1.00 2.23 H new ATOM 0 HD23 LEU A 37 -9.098 4.465 -5.602 1.00 2.23 H new ATOM 582 N LYS A 38 -6.496 0.390 -7.399 1.00 12.30 N ATOM 583 CA LYS A 38 -5.268 -0.309 -7.040 1.00 12.05 C ATOM 584 C LYS A 38 -4.045 0.430 -7.575 1.00 31.12 C ATOM 585 O LYS A 38 -2.940 0.281 -7.054 1.00 43.03 O ATOM 586 CB LYS A 38 -5.292 -1.738 -7.585 1.00 64.13 C ATOM 587 CG LYS A 38 -4.728 -1.863 -8.989 1.00 65.05 C ATOM 588 CD LYS A 38 -5.397 -2.988 -9.761 1.00 4.01 C ATOM 589 CE LYS A 38 -4.793 -4.340 -9.412 1.00 13.52 C ATOM 590 NZ LYS A 38 -3.397 -4.470 -9.915 1.00 10.33 N ATOM 0 H LYS A 38 -7.189 -0.191 -7.870 1.00 12.30 H new ATOM 0 HA LYS A 38 -5.204 -0.343 -5.952 1.00 12.05 H new ATOM 0 HB2 LYS A 38 -4.723 -2.383 -6.915 1.00 64.13 H new ATOM 0 HB3 LYS A 38 -6.319 -2.102 -7.582 1.00 64.13 H new ATOM 0 HG2 LYS A 38 -4.866 -0.922 -9.522 1.00 65.05 H new ATOM 0 HG3 LYS A 38 -3.655 -2.045 -8.936 1.00 65.05 H new ATOM 0 HD2 LYS A 38 -6.464 -2.997 -9.540 1.00 4.01 H new ATOM 0 HD3 LYS A 38 -5.294 -2.808 -10.831 1.00 4.01 H new ATOM 0 HE2 LYS A 38 -4.803 -4.474 -8.330 1.00 13.52 H new ATOM 0 HE3 LYS A 38 -5.408 -5.133 -9.837 1.00 13.52 H new ATOM 0 HZ1 LYS A 38 -3.280 -5.394 -10.378 1.00 10.33 H new ATOM 0 HZ2 LYS A 38 -3.203 -3.712 -10.600 1.00 10.33 H new ATOM 0 HZ3 LYS A 38 -2.733 -4.395 -9.118 1.00 10.33 H new ATOM 604 N LYS A 39 -4.251 1.230 -8.615 1.00 73.34 N ATOM 605 CA LYS A 39 -3.168 1.995 -9.220 1.00 12.42 C ATOM 606 C LYS A 39 -2.393 2.771 -8.159 1.00 44.44 C ATOM 607 O LYS A 39 -1.173 2.914 -8.248 1.00 72.02 O ATOM 608 CB LYS A 39 -3.721 2.961 -10.270 1.00 74.32 C ATOM 609 CG LYS A 39 -4.154 4.300 -9.698 1.00 64.22 C ATOM 610 CD LYS A 39 -4.738 5.202 -10.772 1.00 31.42 C ATOM 611 CE LYS A 39 -6.124 5.699 -10.389 1.00 5.12 C ATOM 612 NZ LYS A 39 -6.305 7.141 -10.711 1.00 51.15 N ATOM 0 H LYS A 39 -5.160 1.366 -9.057 1.00 73.34 H new ATOM 0 HA LYS A 39 -2.488 1.294 -9.704 1.00 12.42 H new ATOM 0 HB2 LYS A 39 -2.960 3.130 -11.032 1.00 74.32 H new ATOM 0 HB3 LYS A 39 -4.572 2.496 -10.767 1.00 74.32 H new ATOM 0 HG2 LYS A 39 -4.894 4.140 -8.914 1.00 64.22 H new ATOM 0 HG3 LYS A 39 -3.299 4.792 -9.234 1.00 64.22 H new ATOM 0 HD2 LYS A 39 -4.077 6.053 -10.933 1.00 31.42 H new ATOM 0 HD3 LYS A 39 -4.793 4.658 -11.715 1.00 31.42 H new ATOM 0 HE2 LYS A 39 -6.878 5.112 -10.914 1.00 5.12 H new ATOM 0 HE3 LYS A 39 -6.284 5.542 -9.322 1.00 5.12 H new ATOM 0 HZ1 LYS A 39 -7.262 7.441 -10.435 1.00 51.15 H new ATOM 0 HZ2 LYS A 39 -5.602 7.704 -10.191 1.00 51.15 H new ATOM 0 HZ3 LYS A 39 -6.178 7.287 -11.733 1.00 51.15 H new ATOM 626 N VAL A 40 -3.108 3.270 -7.157 1.00 31.44 N ATOM 627 CA VAL A 40 -2.487 4.029 -6.077 1.00 64.34 C ATOM 628 C VAL A 40 -1.607 3.134 -5.212 1.00 42.45 C ATOM 629 O VAL A 40 -0.476 3.492 -4.880 1.00 23.51 O ATOM 630 CB VAL A 40 -3.545 4.706 -5.186 1.00 62.23 C ATOM 631 CG1 VAL A 40 -3.078 4.743 -3.738 1.00 60.20 C ATOM 632 CG2 VAL A 40 -3.850 6.107 -5.692 1.00 74.45 C ATOM 0 H VAL A 40 -4.119 3.163 -7.070 1.00 31.44 H new ATOM 0 HA VAL A 40 -1.871 4.797 -6.544 1.00 64.34 H new ATOM 0 HB VAL A 40 -4.463 4.120 -5.232 1.00 62.23 H new ATOM 0 HG11 VAL A 40 -3.838 5.225 -3.123 1.00 60.20 H new ATOM 0 HG12 VAL A 40 -2.915 3.726 -3.382 1.00 60.20 H new ATOM 0 HG13 VAL A 40 -2.147 5.305 -3.670 1.00 60.20 H new ATOM 0 HG21 VAL A 40 -4.600 6.570 -5.051 1.00 74.45 H new ATOM 0 HG22 VAL A 40 -2.939 6.706 -5.677 1.00 74.45 H new ATOM 0 HG23 VAL A 40 -4.230 6.051 -6.712 1.00 74.45 H new ATOM 642 N LEU A 41 -2.131 1.968 -4.850 1.00 52.54 N ATOM 643 CA LEU A 41 -1.393 1.020 -4.024 1.00 61.35 C ATOM 644 C LEU A 41 -0.122 0.556 -4.730 1.00 13.42 C ATOM 645 O LEU A 41 0.964 0.579 -4.151 1.00 14.22 O ATOM 646 CB LEU A 41 -2.272 -0.186 -3.686 1.00 54.55 C ATOM 647 CG LEU A 41 -3.355 0.047 -2.632 1.00 44.42 C ATOM 648 CD1 LEU A 41 -2.747 0.620 -1.361 1.00 43.14 C ATOM 649 CD2 LEU A 41 -4.435 0.971 -3.173 1.00 33.23 C ATOM 0 H LEU A 41 -3.065 1.657 -5.116 1.00 52.54 H new ATOM 0 HA LEU A 41 -1.110 1.525 -3.100 1.00 61.35 H new ATOM 0 HB2 LEU A 41 -2.753 -0.528 -4.602 1.00 54.55 H new ATOM 0 HB3 LEU A 41 -1.627 -0.995 -3.343 1.00 54.55 H new ATOM 0 HG LEU A 41 -3.814 -0.912 -2.391 1.00 44.42 H new ATOM 0 HD11 LEU A 41 -3.532 0.779 -0.622 1.00 43.14 H new ATOM 0 HD12 LEU A 41 -2.011 -0.078 -0.963 1.00 43.14 H new ATOM 0 HD13 LEU A 41 -2.262 1.570 -1.586 1.00 43.14 H new ATOM 0 HD21 LEU A 41 -5.197 1.126 -2.410 1.00 33.23 H new ATOM 0 HD22 LEU A 41 -3.992 1.930 -3.443 1.00 33.23 H new ATOM 0 HD23 LEU A 41 -4.891 0.521 -4.055 1.00 33.23 H new ATOM 661 N GLU A 42 -0.268 0.138 -5.983 1.00 44.21 N ATOM 662 CA GLU A 42 0.869 -0.330 -6.768 1.00 2.21 C ATOM 663 C GLU A 42 1.925 0.764 -6.901 1.00 71.10 C ATOM 664 O GLU A 42 3.107 0.533 -6.651 1.00 1.54 O ATOM 665 CB GLU A 42 0.409 -0.782 -8.155 1.00 42.23 C ATOM 666 CG GLU A 42 -0.667 -1.854 -8.119 1.00 71.24 C ATOM 667 CD GLU A 42 -1.098 -2.295 -9.505 1.00 43.45 C ATOM 668 OE1 GLU A 42 -1.751 -1.494 -10.207 1.00 62.44 O ATOM 669 OE2 GLU A 42 -0.779 -3.441 -9.888 1.00 13.34 O ATOM 0 H GLU A 42 -1.161 0.114 -6.476 1.00 44.21 H new ATOM 0 HA GLU A 42 1.313 -1.178 -6.247 1.00 2.21 H new ATOM 0 HB2 GLU A 42 0.032 0.081 -8.703 1.00 42.23 H new ATOM 0 HB3 GLU A 42 1.269 -1.160 -8.708 1.00 42.23 H new ATOM 0 HG2 GLU A 42 -0.296 -2.717 -7.566 1.00 71.24 H new ATOM 0 HG3 GLU A 42 -1.533 -1.476 -7.576 1.00 71.24 H new ATOM 676 N ASN A 43 1.488 1.954 -7.299 1.00 10.13 N ATOM 677 CA ASN A 43 2.395 3.084 -7.467 1.00 75.01 C ATOM 678 C ASN A 43 3.260 3.277 -6.225 1.00 54.45 C ATOM 679 O ASN A 43 4.483 3.145 -6.283 1.00 30.22 O ATOM 680 CB ASN A 43 1.603 4.361 -7.755 1.00 4.43 C ATOM 681 CG ASN A 43 1.308 4.540 -9.232 1.00 64.03 C ATOM 682 OD1 ASN A 43 1.068 3.568 -9.950 1.00 32.23 O ATOM 683 ND2 ASN A 43 1.327 5.785 -9.693 1.00 73.23 N ATOM 0 H ASN A 43 0.512 2.161 -7.511 1.00 10.13 H new ATOM 0 HA ASN A 43 3.049 2.871 -8.313 1.00 75.01 H new ATOM 0 HB2 ASN A 43 0.665 4.336 -7.201 1.00 4.43 H new ATOM 0 HB3 ASN A 43 2.164 5.222 -7.393 1.00 4.43 H new ATOM 0 HD21 ASN A 43 1.138 5.967 -10.679 1.00 73.23 H new ATOM 0 HD22 ASN A 43 1.531 6.560 -9.061 1.00 73.23 H new ATOM 690 N TYR A 44 2.618 3.590 -5.107 1.00 72.11 N ATOM 691 CA TYR A 44 3.328 3.803 -3.851 1.00 12.21 C ATOM 692 C TYR A 44 4.106 2.555 -3.447 1.00 60.15 C ATOM 693 O TYR A 44 5.204 2.645 -2.894 1.00 73.40 O ATOM 694 CB TYR A 44 2.345 4.187 -2.744 1.00 32.20 C ATOM 695 CG TYR A 44 1.902 5.631 -2.800 1.00 74.24 C ATOM 696 CD1 TYR A 44 2.795 6.664 -2.542 1.00 64.22 C ATOM 697 CD2 TYR A 44 0.589 5.964 -3.112 1.00 64.45 C ATOM 698 CE1 TYR A 44 2.394 7.984 -2.593 1.00 21.13 C ATOM 699 CE2 TYR A 44 0.180 7.282 -3.166 1.00 73.53 C ATOM 700 CZ TYR A 44 1.086 8.288 -2.905 1.00 52.22 C ATOM 701 OH TYR A 44 0.681 9.602 -2.956 1.00 53.45 O ATOM 0 H TYR A 44 1.606 3.702 -5.044 1.00 72.11 H new ATOM 0 HA TYR A 44 4.036 4.619 -3.997 1.00 12.21 H new ATOM 0 HB2 TYR A 44 1.467 3.544 -2.810 1.00 32.20 H new ATOM 0 HB3 TYR A 44 2.808 3.995 -1.776 1.00 32.20 H new ATOM 0 HD1 TYR A 44 3.821 6.430 -2.297 1.00 64.22 H new ATOM 0 HD2 TYR A 44 -0.124 5.178 -3.316 1.00 64.45 H new ATOM 0 HE1 TYR A 44 3.101 8.774 -2.390 1.00 21.13 H new ATOM 0 HE2 TYR A 44 -0.844 7.523 -3.411 1.00 73.53 H new ATOM 0 HH TYR A 44 -0.237 9.648 -3.297 1.00 53.45 H new ATOM 711 N LEU A 45 3.530 1.391 -3.727 1.00 4.04 N ATOM 712 CA LEU A 45 4.168 0.122 -3.394 1.00 43.24 C ATOM 713 C LEU A 45 5.543 0.016 -4.047 1.00 2.24 C ATOM 714 O LEU A 45 6.493 -0.477 -3.439 1.00 34.13 O ATOM 715 CB LEU A 45 3.288 -1.047 -3.840 1.00 2.21 C ATOM 716 CG LEU A 45 3.983 -2.405 -3.954 1.00 15.10 C ATOM 717 CD1 LEU A 45 4.740 -2.726 -2.675 1.00 33.22 C ATOM 718 CD2 LEU A 45 2.969 -3.497 -4.264 1.00 44.35 C ATOM 0 H LEU A 45 2.623 1.300 -4.184 1.00 4.04 H new ATOM 0 HA LEU A 45 4.295 0.081 -2.312 1.00 43.24 H new ATOM 0 HB2 LEU A 45 2.461 -1.142 -3.136 1.00 2.21 H new ATOM 0 HB3 LEU A 45 2.855 -0.800 -4.809 1.00 2.21 H new ATOM 0 HG LEU A 45 4.700 -2.358 -4.774 1.00 15.10 H new ATOM 0 HD11 LEU A 45 5.228 -3.696 -2.775 1.00 33.22 H new ATOM 0 HD12 LEU A 45 5.492 -1.958 -2.495 1.00 33.22 H new ATOM 0 HD13 LEU A 45 4.043 -2.755 -1.837 1.00 33.22 H new ATOM 0 HD21 LEU A 45 3.480 -4.457 -4.342 1.00 44.35 H new ATOM 0 HD22 LEU A 45 2.229 -3.544 -3.465 1.00 44.35 H new ATOM 0 HD23 LEU A 45 2.471 -3.274 -5.207 1.00 44.35 H new ATOM 730 N GLU A 46 5.642 0.485 -5.286 1.00 42.05 N ATOM 731 CA GLU A 46 6.901 0.444 -6.020 1.00 44.21 C ATOM 732 C GLU A 46 7.944 1.344 -5.362 1.00 54.34 C ATOM 733 O GLU A 46 9.142 1.066 -5.418 1.00 14.02 O ATOM 734 CB GLU A 46 6.685 0.873 -7.472 1.00 42.33 C ATOM 735 CG GLU A 46 7.465 0.039 -8.475 1.00 71.14 C ATOM 736 CD GLU A 46 7.055 -1.422 -8.464 1.00 2.53 C ATOM 737 OE1 GLU A 46 5.854 -1.702 -8.663 1.00 50.41 O ATOM 738 OE2 GLU A 46 7.934 -2.283 -8.255 1.00 1.21 O ATOM 0 H GLU A 46 4.866 0.898 -5.803 1.00 42.05 H new ATOM 0 HA GLU A 46 7.268 -0.582 -6.003 1.00 44.21 H new ATOM 0 HB2 GLU A 46 5.623 0.809 -7.707 1.00 42.33 H new ATOM 0 HB3 GLU A 46 6.973 1.919 -7.580 1.00 42.33 H new ATOM 0 HG2 GLU A 46 7.316 0.447 -9.475 1.00 71.14 H new ATOM 0 HG3 GLU A 46 8.530 0.115 -8.255 1.00 71.14 H new ATOM 745 N GLU A 47 7.478 2.423 -4.741 1.00 40.32 N ATOM 746 CA GLU A 47 8.370 3.365 -4.074 1.00 21.24 C ATOM 747 C GLU A 47 9.254 2.650 -3.057 1.00 63.44 C ATOM 748 O GLU A 47 10.419 3.003 -2.871 1.00 1.44 O ATOM 749 CB GLU A 47 7.562 4.462 -3.380 1.00 15.41 C ATOM 750 CG GLU A 47 6.605 5.193 -4.308 1.00 70.32 C ATOM 751 CD GLU A 47 7.282 6.299 -5.093 1.00 32.43 C ATOM 752 OE1 GLU A 47 8.494 6.519 -4.884 1.00 74.43 O ATOM 753 OE2 GLU A 47 6.600 6.947 -5.914 1.00 62.55 O ATOM 0 H GLU A 47 6.489 2.667 -4.686 1.00 40.32 H new ATOM 0 HA GLU A 47 9.010 3.818 -4.831 1.00 21.24 H new ATOM 0 HB2 GLU A 47 6.994 4.020 -2.561 1.00 15.41 H new ATOM 0 HB3 GLU A 47 8.249 5.184 -2.939 1.00 15.41 H new ATOM 0 HG2 GLU A 47 6.162 4.479 -5.002 1.00 70.32 H new ATOM 0 HG3 GLU A 47 5.789 5.616 -3.722 1.00 70.32 H new ATOM 760 N LEU A 48 8.692 1.640 -2.400 1.00 4.45 N ATOM 761 CA LEU A 48 9.428 0.873 -1.401 1.00 0.45 C ATOM 762 C LEU A 48 10.719 0.310 -1.988 1.00 32.31 C ATOM 763 O LEU A 48 11.745 0.246 -1.311 1.00 11.30 O ATOM 764 CB LEU A 48 8.560 -0.264 -0.860 1.00 40.31 C ATOM 765 CG LEU A 48 7.468 0.137 0.132 1.00 54.03 C ATOM 766 CD1 LEU A 48 6.090 -0.110 -0.463 1.00 11.32 C ATOM 767 CD2 LEU A 48 7.630 -0.622 1.439 1.00 24.42 C ATOM 0 H LEU A 48 7.729 1.334 -2.541 1.00 4.45 H new ATOM 0 HA LEU A 48 9.687 1.544 -0.582 1.00 0.45 H new ATOM 0 HB2 LEU A 48 8.089 -0.767 -1.704 1.00 40.31 H new ATOM 0 HB3 LEU A 48 9.211 -0.993 -0.377 1.00 40.31 H new ATOM 0 HG LEU A 48 7.566 1.203 0.340 1.00 54.03 H new ATOM 0 HD11 LEU A 48 5.325 0.181 0.257 1.00 11.32 H new ATOM 0 HD12 LEU A 48 5.975 0.480 -1.372 1.00 11.32 H new ATOM 0 HD13 LEU A 48 5.981 -1.168 -0.701 1.00 11.32 H new ATOM 0 HD21 LEU A 48 6.844 -0.324 2.133 1.00 24.42 H new ATOM 0 HD22 LEU A 48 7.559 -1.693 1.249 1.00 24.42 H new ATOM 0 HD23 LEU A 48 8.603 -0.394 1.874 1.00 24.42 H new ATOM 779 N LYS A 49 10.659 -0.096 -3.252 1.00 22.12 N ATOM 780 CA LYS A 49 11.822 -0.651 -3.933 1.00 0.03 C ATOM 781 C LYS A 49 12.780 0.455 -4.363 1.00 2.52 C ATOM 782 O LYS A 49 13.999 0.288 -4.311 1.00 21.20 O ATOM 783 CB LYS A 49 11.385 -1.464 -5.153 1.00 20.31 C ATOM 784 CG LYS A 49 10.535 -2.674 -4.805 1.00 31.23 C ATOM 785 CD LYS A 49 9.072 -2.298 -4.635 1.00 41.45 C ATOM 786 CE LYS A 49 8.152 -3.366 -5.205 1.00 62.34 C ATOM 787 NZ LYS A 49 8.445 -4.711 -4.637 1.00 41.02 N ATOM 0 H LYS A 49 9.817 -0.051 -3.825 1.00 22.12 H new ATOM 0 HA LYS A 49 12.342 -1.307 -3.234 1.00 0.03 H new ATOM 0 HB2 LYS A 49 10.823 -0.818 -5.828 1.00 20.31 H new ATOM 0 HB3 LYS A 49 12.271 -1.796 -5.694 1.00 20.31 H new ATOM 0 HG2 LYS A 49 10.630 -3.424 -5.590 1.00 31.23 H new ATOM 0 HG3 LYS A 49 10.904 -3.127 -3.885 1.00 31.23 H new ATOM 0 HD2 LYS A 49 8.853 -2.154 -3.577 1.00 41.45 H new ATOM 0 HD3 LYS A 49 8.879 -1.347 -5.132 1.00 41.45 H new ATOM 0 HE2 LYS A 49 7.115 -3.102 -4.996 1.00 62.34 H new ATOM 0 HE3 LYS A 49 8.261 -3.398 -6.289 1.00 62.34 H new ATOM 0 HZ1 LYS A 49 8.886 -5.307 -5.366 1.00 41.02 H new ATOM 0 HZ2 LYS A 49 9.094 -4.613 -3.830 1.00 41.02 H new ATOM 0 HZ3 LYS A 49 7.560 -5.153 -4.317 1.00 41.02 H new ATOM 801 N GLN A 50 12.221 1.584 -4.785 1.00 41.23 N ATOM 802 CA GLN A 50 13.028 2.718 -5.223 1.00 13.10 C ATOM 803 C GLN A 50 13.587 3.482 -4.028 1.00 53.20 C ATOM 804 O GLN A 50 12.982 3.509 -2.956 1.00 60.30 O ATOM 805 CB GLN A 50 12.194 3.656 -6.099 1.00 24.34 C ATOM 806 CG GLN A 50 11.406 2.937 -7.181 1.00 70.44 C ATOM 807 CD GLN A 50 11.028 3.849 -8.332 1.00 22.42 C ATOM 808 OE1 GLN A 50 11.742 4.803 -8.643 1.00 34.31 O ATOM 809 NE2 GLN A 50 9.899 3.560 -8.970 1.00 3.43 N ATOM 0 H GLN A 50 11.214 1.739 -4.833 1.00 41.23 H new ATOM 0 HA GLN A 50 13.864 2.333 -5.808 1.00 13.10 H new ATOM 0 HB2 GLN A 50 11.502 4.212 -5.466 1.00 24.34 H new ATOM 0 HB3 GLN A 50 12.855 4.386 -6.567 1.00 24.34 H new ATOM 0 HG2 GLN A 50 11.996 2.103 -7.562 1.00 70.44 H new ATOM 0 HG3 GLN A 50 10.501 2.514 -6.745 1.00 70.44 H new ATOM 0 HE21 GLN A 50 9.339 2.759 -8.678 1.00 3.43 H new ATOM 0 HE22 GLN A 50 9.593 4.139 -9.752 1.00 3.43 H new ATOM 818 N LYS A 51 14.746 4.103 -4.219 1.00 31.22 N ATOM 819 CA LYS A 51 15.388 4.869 -3.157 1.00 54.51 C ATOM 820 C LYS A 51 14.970 6.335 -3.214 1.00 34.21 C ATOM 821 O LYS A 51 15.561 7.186 -2.550 1.00 62.42 O ATOM 822 CB LYS A 51 16.911 4.758 -3.268 1.00 33.01 C ATOM 823 CG LYS A 51 17.467 5.308 -4.570 1.00 14.22 C ATOM 824 CD LYS A 51 18.952 5.020 -4.708 1.00 4.12 C ATOM 825 CE LYS A 51 19.200 3.686 -5.395 1.00 54.34 C ATOM 826 NZ LYS A 51 18.990 3.774 -6.867 1.00 40.11 N ATOM 0 H LYS A 51 15.260 4.091 -5.100 1.00 31.22 H new ATOM 0 HA LYS A 51 15.068 4.455 -2.201 1.00 54.51 H new ATOM 0 HB2 LYS A 51 17.368 5.291 -2.434 1.00 33.01 H new ATOM 0 HB3 LYS A 51 17.199 3.711 -3.173 1.00 33.01 H new ATOM 0 HG2 LYS A 51 16.930 4.868 -5.411 1.00 14.22 H new ATOM 0 HG3 LYS A 51 17.299 6.384 -4.613 1.00 14.22 H new ATOM 0 HD2 LYS A 51 19.427 5.818 -5.279 1.00 4.12 H new ATOM 0 HD3 LYS A 51 19.416 5.014 -3.722 1.00 4.12 H new ATOM 0 HE2 LYS A 51 20.219 3.357 -5.192 1.00 54.34 H new ATOM 0 HE3 LYS A 51 18.533 2.932 -4.977 1.00 54.34 H new ATOM 0 HZ1 LYS A 51 18.699 2.845 -7.232 1.00 40.11 H new ATOM 0 HZ2 LYS A 51 18.248 4.474 -7.071 1.00 40.11 H new ATOM 0 HZ3 LYS A 51 19.876 4.065 -7.327 1.00 40.11 H new ATOM 840 N SER A 52 13.944 6.622 -4.011 1.00 5.35 N ATOM 841 CA SER A 52 13.448 7.985 -4.156 1.00 51.24 C ATOM 842 C SER A 52 12.450 8.321 -3.052 1.00 23.14 C ATOM 843 O SER A 52 11.901 9.421 -3.010 1.00 3.05 O ATOM 844 CB SER A 52 12.791 8.168 -5.525 1.00 14.41 C ATOM 845 OG SER A 52 13.728 7.975 -6.570 1.00 42.43 O ATOM 0 H SER A 52 13.441 5.929 -4.565 1.00 5.35 H new ATOM 0 HA SER A 52 14.296 8.664 -4.074 1.00 51.24 H new ATOM 0 HB2 SER A 52 11.969 7.461 -5.635 1.00 14.41 H new ATOM 0 HB3 SER A 52 12.363 9.168 -5.596 1.00 14.41 H new ATOM 0 HG SER A 52 13.283 8.096 -7.435 1.00 42.43 H new ATOM 851 N ALA A 53 12.221 7.363 -2.160 1.00 72.30 N ATOM 852 CA ALA A 53 11.291 7.556 -1.054 1.00 14.22 C ATOM 853 C ALA A 53 11.482 6.487 0.017 1.00 70.31 C ATOM 854 O ALA A 53 11.618 5.303 -0.291 1.00 55.31 O ATOM 855 CB ALA A 53 9.857 7.547 -1.561 1.00 51.23 C ATOM 0 H ALA A 53 12.667 6.446 -2.182 1.00 72.30 H new ATOM 0 HA ALA A 53 11.499 8.526 -0.603 1.00 14.22 H new ATOM 0 HB1 ALA A 53 9.174 7.692 -0.724 1.00 51.23 H new ATOM 0 HB2 ALA A 53 9.721 8.352 -2.284 1.00 51.23 H new ATOM 0 HB3 ALA A 53 9.646 6.591 -2.039 1.00 51.23 H new ATOM 861 N SER A 54 11.492 6.913 1.276 1.00 21.33 N ATOM 862 CA SER A 54 11.670 5.992 2.393 1.00 44.15 C ATOM 863 C SER A 54 10.391 5.203 2.657 1.00 15.00 C ATOM 864 O SER A 54 9.296 5.634 2.295 1.00 53.54 O ATOM 865 CB SER A 54 12.081 6.757 3.652 1.00 33.41 C ATOM 866 OG SER A 54 13.233 7.547 3.416 1.00 74.50 O ATOM 0 H SER A 54 11.379 7.889 1.548 1.00 21.33 H new ATOM 0 HA SER A 54 12.461 5.289 2.130 1.00 44.15 H new ATOM 0 HB2 SER A 54 11.259 7.395 3.978 1.00 33.41 H new ATOM 0 HB3 SER A 54 12.278 6.053 4.461 1.00 33.41 H new ATOM 0 HG SER A 54 13.474 8.027 4.236 1.00 74.50 H new ATOM 872 N VAL A 55 10.537 4.045 3.291 1.00 24.44 N ATOM 873 CA VAL A 55 9.395 3.195 3.606 1.00 42.41 C ATOM 874 C VAL A 55 8.298 3.988 4.308 1.00 23.51 C ATOM 875 O VAL A 55 7.157 4.054 3.851 1.00 13.05 O ATOM 876 CB VAL A 55 9.806 2.009 4.498 1.00 44.11 C ATOM 877 CG1 VAL A 55 8.657 1.599 5.405 1.00 71.50 C ATOM 878 CG2 VAL A 55 10.267 0.837 3.645 1.00 22.41 C ATOM 0 H VAL A 55 11.436 3.673 3.597 1.00 24.44 H new ATOM 0 HA VAL A 55 9.015 2.812 2.659 1.00 42.41 H new ATOM 0 HB VAL A 55 10.639 2.322 5.127 1.00 44.11 H new ATOM 0 HG11 VAL A 55 8.967 0.760 6.028 1.00 71.50 H new ATOM 0 HG12 VAL A 55 8.378 2.439 6.041 1.00 71.50 H new ATOM 0 HG13 VAL A 55 7.801 1.304 4.798 1.00 71.50 H new ATOM 0 HG21 VAL A 55 10.554 0.007 4.291 1.00 22.41 H new ATOM 0 HG22 VAL A 55 9.455 0.522 2.989 1.00 22.41 H new ATOM 0 HG23 VAL A 55 11.123 1.140 3.042 1.00 22.41 H new ATOM 888 N PRO A 56 8.649 4.605 5.445 1.00 2.14 N ATOM 889 CA PRO A 56 7.709 5.406 6.235 1.00 62.32 C ATOM 890 C PRO A 56 7.323 6.705 5.535 1.00 63.35 C ATOM 891 O PRO A 56 6.336 7.347 5.895 1.00 3.44 O ATOM 892 CB PRO A 56 8.486 5.701 7.520 1.00 55.24 C ATOM 893 CG PRO A 56 9.920 5.619 7.123 1.00 33.41 C ATOM 894 CD PRO A 56 9.992 4.569 6.049 1.00 54.02 C ATOM 0 HA PRO A 56 6.767 4.883 6.401 1.00 62.32 H new ATOM 0 HB2 PRO A 56 8.240 6.687 7.914 1.00 55.24 H new ATOM 0 HB3 PRO A 56 8.249 4.978 8.301 1.00 55.24 H new ATOM 0 HG2 PRO A 56 10.279 6.580 6.754 1.00 33.41 H new ATOM 0 HG3 PRO A 56 10.546 5.351 7.974 1.00 33.41 H new ATOM 0 HD2 PRO A 56 10.768 4.795 5.317 1.00 54.02 H new ATOM 0 HD3 PRO A 56 10.220 3.587 6.462 1.00 54.02 H new ATOM 902 N LEU A 57 8.106 7.086 4.531 1.00 63.40 N ATOM 903 CA LEU A 57 7.846 8.308 3.780 1.00 45.32 C ATOM 904 C LEU A 57 6.791 8.071 2.703 1.00 42.22 C ATOM 905 O LEU A 57 6.129 9.007 2.253 1.00 22.30 O ATOM 906 CB LEU A 57 9.137 8.821 3.140 1.00 44.21 C ATOM 907 CG LEU A 57 10.027 9.690 4.030 1.00 44.55 C ATOM 908 CD1 LEU A 57 11.301 10.077 3.294 1.00 52.45 C ATOM 909 CD2 LEU A 57 9.274 10.931 4.486 1.00 43.31 C ATOM 0 H LEU A 57 8.926 6.566 4.219 1.00 63.40 H new ATOM 0 HA LEU A 57 7.468 9.059 4.474 1.00 45.32 H new ATOM 0 HB2 LEU A 57 9.719 7.962 2.805 1.00 44.21 H new ATOM 0 HB3 LEU A 57 8.875 9.395 2.251 1.00 44.21 H new ATOM 0 HG LEU A 57 10.303 9.112 4.912 1.00 44.55 H new ATOM 0 HD11 LEU A 57 11.922 10.695 3.942 1.00 52.45 H new ATOM 0 HD12 LEU A 57 11.849 9.176 3.017 1.00 52.45 H new ATOM 0 HD13 LEU A 57 11.046 10.637 2.394 1.00 52.45 H new ATOM 0 HD21 LEU A 57 9.922 11.538 5.118 1.00 43.31 H new ATOM 0 HD22 LEU A 57 8.969 11.512 3.616 1.00 43.31 H new ATOM 0 HD23 LEU A 57 8.391 10.633 5.051 1.00 43.31 H new ATOM 921 N ILE A 58 6.640 6.816 2.297 1.00 63.11 N ATOM 922 CA ILE A 58 5.664 6.456 1.276 1.00 72.51 C ATOM 923 C ILE A 58 4.327 6.076 1.904 1.00 63.43 C ATOM 924 O ILE A 58 3.267 6.489 1.432 1.00 32.33 O ATOM 925 CB ILE A 58 6.162 5.286 0.407 1.00 32.11 C ATOM 926 CG1 ILE A 58 7.487 5.649 -0.265 1.00 1.42 C ATOM 927 CG2 ILE A 58 5.116 4.917 -0.635 1.00 31.20 C ATOM 928 CD1 ILE A 58 8.474 4.504 -0.314 1.00 54.54 C ATOM 0 H ILE A 58 7.181 6.031 2.659 1.00 63.11 H new ATOM 0 HA ILE A 58 5.530 7.334 0.644 1.00 72.51 H new ATOM 0 HB ILE A 58 6.327 4.421 1.049 1.00 32.11 H new ATOM 0 HG12 ILE A 58 7.288 5.990 -1.281 1.00 1.42 H new ATOM 0 HG13 ILE A 58 7.939 6.485 0.269 1.00 1.42 H new ATOM 0 HG21 ILE A 58 5.483 4.089 -1.241 1.00 31.20 H new ATOM 0 HG22 ILE A 58 4.194 4.621 -0.136 1.00 31.20 H new ATOM 0 HG23 ILE A 58 4.921 5.777 -1.276 1.00 31.20 H new ATOM 0 HD11 ILE A 58 9.390 4.834 -0.804 1.00 54.54 H new ATOM 0 HD12 ILE A 58 8.702 4.177 0.700 1.00 54.54 H new ATOM 0 HD13 ILE A 58 8.042 3.675 -0.874 1.00 54.54 H new ATOM 940 N LEU A 59 4.385 5.286 2.971 1.00 32.23 N ATOM 941 CA LEU A 59 3.178 4.850 3.666 1.00 62.01 C ATOM 942 C LEU A 59 2.355 6.047 4.131 1.00 33.02 C ATOM 943 O LEU A 59 1.128 5.981 4.197 1.00 61.32 O ATOM 944 CB LEU A 59 3.545 3.973 4.865 1.00 61.22 C ATOM 945 CG LEU A 59 4.263 2.662 4.542 1.00 64.10 C ATOM 946 CD1 LEU A 59 4.850 2.049 5.804 1.00 14.53 C ATOM 947 CD2 LEU A 59 3.312 1.686 3.866 1.00 71.51 C ATOM 0 H LEU A 59 5.254 4.935 3.373 1.00 32.23 H new ATOM 0 HA LEU A 59 2.577 4.268 2.968 1.00 62.01 H new ATOM 0 HB2 LEU A 59 4.177 4.555 5.535 1.00 61.22 H new ATOM 0 HB3 LEU A 59 2.632 3.739 5.412 1.00 61.22 H new ATOM 0 HG LEU A 59 5.080 2.878 3.854 1.00 64.10 H new ATOM 0 HD11 LEU A 59 5.357 1.117 5.554 1.00 14.53 H new ATOM 0 HD12 LEU A 59 5.564 2.743 6.247 1.00 14.53 H new ATOM 0 HD13 LEU A 59 4.050 1.847 6.517 1.00 14.53 H new ATOM 0 HD21 LEU A 59 3.840 0.759 3.643 1.00 71.51 H new ATOM 0 HD22 LEU A 59 2.474 1.476 4.530 1.00 71.51 H new ATOM 0 HD23 LEU A 59 2.940 2.123 2.939 1.00 71.51 H new ATOM 959 N SER A 60 3.039 7.141 4.449 1.00 31.02 N ATOM 960 CA SER A 60 2.371 8.354 4.909 1.00 62.42 C ATOM 961 C SER A 60 1.513 8.955 3.800 1.00 44.32 C ATOM 962 O SER A 60 0.303 9.121 3.957 1.00 1.34 O ATOM 963 CB SER A 60 3.401 9.379 5.386 1.00 64.00 C ATOM 964 OG SER A 60 4.294 9.729 4.343 1.00 42.12 O ATOM 0 H SER A 60 4.055 7.213 4.397 1.00 31.02 H new ATOM 0 HA SER A 60 1.721 8.088 5.743 1.00 62.42 H new ATOM 0 HB2 SER A 60 2.890 10.272 5.746 1.00 64.00 H new ATOM 0 HB3 SER A 60 3.962 8.971 6.227 1.00 64.00 H new ATOM 0 HG SER A 60 5.108 10.118 4.726 1.00 42.12 H new ATOM 970 N ARG A 61 2.149 9.280 2.680 1.00 54.20 N ATOM 971 CA ARG A 61 1.446 9.866 1.544 1.00 62.45 C ATOM 972 C ARG A 61 0.432 8.882 0.968 1.00 74.10 C ATOM 973 O ARG A 61 -0.667 9.269 0.573 1.00 74.12 O ATOM 974 CB ARG A 61 2.441 10.281 0.459 1.00 64.13 C ATOM 975 CG ARG A 61 2.986 11.688 0.639 1.00 15.14 C ATOM 976 CD ARG A 61 3.621 11.869 2.009 1.00 2.44 C ATOM 977 NE ARG A 61 4.119 13.228 2.206 1.00 33.31 N ATOM 978 CZ ARG A 61 4.507 13.704 3.384 1.00 13.53 C ATOM 979 NH1 ARG A 61 4.455 12.936 4.464 1.00 50.43 N ATOM 980 NH2 ARG A 61 4.948 14.952 3.484 1.00 43.11 N ATOM 0 H ARG A 61 3.150 9.148 2.534 1.00 54.20 H new ATOM 0 HA ARG A 61 0.913 10.749 1.895 1.00 62.45 H new ATOM 0 HB2 ARG A 61 3.273 9.576 0.452 1.00 64.13 H new ATOM 0 HB3 ARG A 61 1.955 10.210 -0.514 1.00 64.13 H new ATOM 0 HG2 ARG A 61 3.724 11.895 -0.136 1.00 15.14 H new ATOM 0 HG3 ARG A 61 2.180 12.411 0.512 1.00 15.14 H new ATOM 0 HD2 ARG A 61 2.889 11.636 2.782 1.00 2.44 H new ATOM 0 HD3 ARG A 61 4.442 11.162 2.124 1.00 2.44 H new ATOM 0 HE ARG A 61 4.172 13.845 1.395 1.00 33.31 H new ATOM 0 HH11 ARG A 61 4.116 11.977 4.392 1.00 50.43 H new ATOM 0 HH12 ARG A 61 4.754 13.305 5.367 1.00 50.43 H new ATOM 0 HH21 ARG A 61 4.989 15.546 2.656 1.00 43.11 H new ATOM 0 HH22 ARG A 61 5.246 15.317 4.389 1.00 43.11 H new ATOM 994 N MET A 62 0.809 7.608 0.924 1.00 33.13 N ATOM 995 CA MET A 62 -0.069 6.569 0.397 1.00 34.33 C ATOM 996 C MET A 62 -1.435 6.616 1.076 1.00 21.51 C ATOM 997 O MET A 62 -2.455 6.828 0.423 1.00 21.44 O ATOM 998 CB MET A 62 0.563 5.190 0.592 1.00 3.00 C ATOM 999 CG MET A 62 -0.328 4.044 0.143 1.00 10.10 C ATOM 1000 SD MET A 62 0.407 2.428 0.456 1.00 64.23 S ATOM 1001 CE MET A 62 -0.185 2.102 2.115 1.00 61.41 C ATOM 0 H MET A 62 1.716 7.270 1.247 1.00 33.13 H new ATOM 0 HA MET A 62 -0.206 6.750 -0.669 1.00 34.33 H new ATOM 0 HB2 MET A 62 1.501 5.148 0.039 1.00 3.00 H new ATOM 0 HB3 MET A 62 0.808 5.057 1.646 1.00 3.00 H new ATOM 0 HG2 MET A 62 -1.285 4.109 0.660 1.00 10.10 H new ATOM 0 HG3 MET A 62 -0.534 4.145 -0.923 1.00 10.10 H new ATOM 0 HE1 MET A 62 0.018 1.064 2.376 1.00 61.41 H new ATOM 0 HE2 MET A 62 0.325 2.760 2.819 1.00 61.41 H new ATOM 0 HE3 MET A 62 -1.259 2.284 2.160 1.00 61.41 H new ATOM 1011 N ASN A 63 -1.445 6.415 2.390 1.00 22.11 N ATOM 1012 CA ASN A 63 -2.685 6.432 3.156 1.00 31.34 C ATOM 1013 C ASN A 63 -3.459 7.723 2.909 1.00 13.23 C ATOM 1014 O ASN A 63 -4.665 7.700 2.658 1.00 63.55 O ATOM 1015 CB ASN A 63 -2.389 6.280 4.650 1.00 50.32 C ATOM 1016 CG ASN A 63 -1.751 4.945 4.980 1.00 52.21 C ATOM 1017 OD1 ASN A 63 -0.728 4.885 5.662 1.00 63.32 O ATOM 1018 ND2 ASN A 63 -2.353 3.866 4.495 1.00 74.42 N ATOM 0 H ASN A 63 -0.608 6.239 2.946 1.00 22.11 H new ATOM 0 HA ASN A 63 -3.298 5.593 2.827 1.00 31.34 H new ATOM 0 HB2 ASN A 63 -1.727 7.085 4.970 1.00 50.32 H new ATOM 0 HB3 ASN A 63 -3.316 6.386 5.214 1.00 50.32 H new ATOM 0 HD21 ASN A 63 -1.969 2.940 4.683 1.00 74.42 H new ATOM 0 HD22 ASN A 63 -3.199 3.963 3.934 1.00 74.42 H new ATOM 1025 N LEU A 64 -2.758 8.850 2.981 1.00 40.22 N ATOM 1026 CA LEU A 64 -3.379 10.152 2.763 1.00 45.41 C ATOM 1027 C LEU A 64 -3.923 10.266 1.344 1.00 72.03 C ATOM 1028 O LEU A 64 -4.739 11.140 1.049 1.00 73.42 O ATOM 1029 CB LEU A 64 -2.367 11.270 3.025 1.00 34.42 C ATOM 1030 CG LEU A 64 -2.262 11.755 4.472 1.00 54.32 C ATOM 1031 CD1 LEU A 64 -3.492 12.563 4.855 1.00 75.13 C ATOM 1032 CD2 LEU A 64 -2.080 10.576 5.417 1.00 1.34 C ATOM 0 H LEU A 64 -1.760 8.888 3.189 1.00 40.22 H new ATOM 0 HA LEU A 64 -4.212 10.251 3.459 1.00 45.41 H new ATOM 0 HB2 LEU A 64 -1.384 10.925 2.706 1.00 34.42 H new ATOM 0 HB3 LEU A 64 -2.625 12.121 2.395 1.00 34.42 H new ATOM 0 HG LEU A 64 -1.388 12.401 4.556 1.00 54.32 H new ATOM 0 HD11 LEU A 64 -3.399 12.899 5.888 1.00 75.13 H new ATOM 0 HD12 LEU A 64 -3.578 13.428 4.198 1.00 75.13 H new ATOM 0 HD13 LEU A 64 -4.382 11.941 4.755 1.00 75.13 H new ATOM 0 HD21 LEU A 64 -2.007 10.939 6.442 1.00 1.34 H new ATOM 0 HD22 LEU A 64 -2.934 9.905 5.330 1.00 1.34 H new ATOM 0 HD23 LEU A 64 -1.168 10.039 5.157 1.00 1.34 H new ATOM 1044 N ASP A 65 -3.468 9.377 0.467 1.00 34.43 N ATOM 1045 CA ASP A 65 -3.912 9.375 -0.921 1.00 72.03 C ATOM 1046 C ASP A 65 -5.106 8.443 -1.109 1.00 52.50 C ATOM 1047 O ASP A 65 -6.116 8.824 -1.702 1.00 21.31 O ATOM 1048 CB ASP A 65 -2.768 8.952 -1.845 1.00 33.12 C ATOM 1049 CG ASP A 65 -3.017 9.340 -3.289 1.00 62.24 C ATOM 1050 OD1 ASP A 65 -4.176 9.232 -3.742 1.00 14.14 O ATOM 1051 OD2 ASP A 65 -2.052 9.752 -3.966 1.00 30.40 O ATOM 0 H ASP A 65 -2.791 8.648 0.694 1.00 34.43 H new ATOM 0 HA ASP A 65 -4.221 10.388 -1.179 1.00 72.03 H new ATOM 0 HB2 ASP A 65 -1.840 9.411 -1.503 1.00 33.12 H new ATOM 0 HB3 ASP A 65 -2.633 7.872 -1.780 1.00 33.12 H new ATOM 1056 N ILE A 66 -4.980 7.222 -0.602 1.00 31.51 N ATOM 1057 CA ILE A 66 -6.049 6.235 -0.714 1.00 52.00 C ATOM 1058 C ILE A 66 -7.341 6.752 -0.091 1.00 53.35 C ATOM 1059 O ILE A 66 -8.412 6.659 -0.693 1.00 20.15 O ATOM 1060 CB ILE A 66 -5.662 4.907 -0.037 1.00 12.53 C ATOM 1061 CG1 ILE A 66 -4.352 4.375 -0.621 1.00 3.24 C ATOM 1062 CG2 ILE A 66 -6.776 3.884 -0.202 1.00 52.14 C ATOM 1063 CD1 ILE A 66 -3.758 3.231 0.171 1.00 3.25 C ATOM 0 H ILE A 66 -4.150 6.892 -0.110 1.00 31.51 H new ATOM 0 HA ILE A 66 -6.206 6.059 -1.778 1.00 52.00 H new ATOM 0 HB ILE A 66 -5.516 5.088 1.028 1.00 12.53 H new ATOM 0 HG12 ILE A 66 -4.528 4.045 -1.645 1.00 3.24 H new ATOM 0 HG13 ILE A 66 -3.628 5.188 -0.668 1.00 3.24 H new ATOM 0 HG21 ILE A 66 -6.488 2.951 0.282 1.00 52.14 H new ATOM 0 HG22 ILE A 66 -7.689 4.263 0.257 1.00 52.14 H new ATOM 0 HG23 ILE A 66 -6.950 3.704 -1.263 1.00 52.14 H new ATOM 0 HD11 ILE A 66 -2.831 2.905 -0.301 1.00 3.25 H new ATOM 0 HD12 ILE A 66 -3.550 3.562 1.189 1.00 3.25 H new ATOM 0 HD13 ILE A 66 -4.464 2.401 0.197 1.00 3.25 H new ATOM 1075 N SER A 67 -7.234 7.299 1.115 1.00 41.35 N ATOM 1076 CA SER A 67 -8.395 7.830 1.820 1.00 13.21 C ATOM 1077 C SER A 67 -9.171 8.800 0.935 1.00 55.31 C ATOM 1078 O SER A 67 -10.401 8.853 0.978 1.00 3.43 O ATOM 1079 CB SER A 67 -7.959 8.533 3.106 1.00 21.23 C ATOM 1080 OG SER A 67 -9.078 8.858 3.914 1.00 62.11 O ATOM 0 H SER A 67 -6.355 7.386 1.625 1.00 41.35 H new ATOM 0 HA SER A 67 -9.048 6.995 2.074 1.00 13.21 H new ATOM 0 HB2 SER A 67 -7.279 7.889 3.663 1.00 21.23 H new ATOM 0 HB3 SER A 67 -7.409 9.441 2.859 1.00 21.23 H new ATOM 0 HG SER A 67 -8.773 9.305 4.731 1.00 62.11 H new ATOM 1086 N LYS A 68 -8.444 9.569 0.130 1.00 10.20 N ATOM 1087 CA LYS A 68 -9.061 10.538 -0.768 1.00 33.00 C ATOM 1088 C LYS A 68 -9.880 9.835 -1.846 1.00 35.12 C ATOM 1089 O LYS A 68 -11.003 10.241 -2.149 1.00 4.32 O ATOM 1090 CB LYS A 68 -7.990 11.417 -1.418 1.00 22.31 C ATOM 1091 CG LYS A 68 -7.873 12.796 -0.792 1.00 61.22 C ATOM 1092 CD LYS A 68 -6.778 13.616 -1.453 1.00 42.11 C ATOM 1093 CE LYS A 68 -7.307 14.392 -2.650 1.00 62.53 C ATOM 1094 NZ LYS A 68 -7.253 13.585 -3.901 1.00 31.45 N ATOM 0 H LYS A 68 -7.426 9.539 0.082 1.00 10.20 H new ATOM 0 HA LYS A 68 -9.730 11.167 -0.180 1.00 33.00 H new ATOM 0 HB2 LYS A 68 -7.026 10.913 -1.348 1.00 22.31 H new ATOM 0 HB3 LYS A 68 -8.216 11.527 -2.479 1.00 22.31 H new ATOM 0 HG2 LYS A 68 -8.825 13.319 -0.881 1.00 61.22 H new ATOM 0 HG3 LYS A 68 -7.662 12.697 0.273 1.00 61.22 H new ATOM 0 HD2 LYS A 68 -6.353 14.310 -0.727 1.00 42.11 H new ATOM 0 HD3 LYS A 68 -5.971 12.957 -1.773 1.00 42.11 H new ATOM 0 HE2 LYS A 68 -8.336 14.698 -2.459 1.00 62.53 H new ATOM 0 HE3 LYS A 68 -6.723 15.303 -2.780 1.00 62.53 H new ATOM 0 HZ1 LYS A 68 -7.069 14.211 -4.711 1.00 31.45 H new ATOM 0 HZ2 LYS A 68 -6.491 12.881 -3.827 1.00 31.45 H new ATOM 0 HZ3 LYS A 68 -8.162 13.098 -4.040 1.00 31.45 H new ATOM 1108 N ALA A 69 -9.314 8.780 -2.419 1.00 71.12 N ATOM 1109 CA ALA A 69 -9.994 8.019 -3.461 1.00 63.12 C ATOM 1110 C ALA A 69 -11.335 7.487 -2.966 1.00 1.31 C ATOM 1111 O ALA A 69 -12.217 7.166 -3.762 1.00 33.04 O ATOM 1112 CB ALA A 69 -9.114 6.874 -3.938 1.00 44.35 C ATOM 0 H ALA A 69 -8.386 8.431 -2.180 1.00 71.12 H new ATOM 0 HA ALA A 69 -10.185 8.689 -4.299 1.00 63.12 H new ATOM 0 HB1 ALA A 69 -9.634 6.315 -4.716 1.00 44.35 H new ATOM 0 HB2 ALA A 69 -8.183 7.274 -4.340 1.00 44.35 H new ATOM 0 HB3 ALA A 69 -8.893 6.212 -3.101 1.00 44.35 H new ATOM 1118 N ILE A 70 -11.480 7.397 -1.648 1.00 24.20 N ATOM 1119 CA ILE A 70 -12.713 6.905 -1.049 1.00 20.45 C ATOM 1120 C ILE A 70 -13.840 7.921 -1.196 1.00 72.13 C ATOM 1121 O ILE A 70 -14.806 7.691 -1.925 1.00 22.11 O ATOM 1122 CB ILE A 70 -12.523 6.580 0.445 1.00 21.25 C ATOM 1123 CG1 ILE A 70 -11.198 5.847 0.665 1.00 44.32 C ATOM 1124 CG2 ILE A 70 -13.687 5.746 0.959 1.00 11.30 C ATOM 1125 CD1 ILE A 70 -11.018 5.336 2.077 1.00 22.10 C ATOM 0 H ILE A 70 -10.759 7.658 -0.976 1.00 24.20 H new ATOM 0 HA ILE A 70 -12.979 5.991 -1.581 1.00 20.45 H new ATOM 0 HB ILE A 70 -12.497 7.515 1.004 1.00 21.25 H new ATOM 0 HG12 ILE A 70 -11.137 5.007 -0.027 1.00 44.32 H new ATOM 0 HG13 ILE A 70 -10.375 6.520 0.423 1.00 44.32 H new ATOM 0 HG21 ILE A 70 -13.537 5.525 2.016 1.00 11.30 H new ATOM 0 HG22 ILE A 70 -14.616 6.301 0.832 1.00 11.30 H new ATOM 0 HG23 ILE A 70 -13.742 4.813 0.398 1.00 11.30 H new ATOM 0 HD11 ILE A 70 -10.058 4.827 2.160 1.00 22.10 H new ATOM 0 HD12 ILE A 70 -11.046 6.174 2.774 1.00 22.10 H new ATOM 0 HD13 ILE A 70 -11.820 4.638 2.316 1.00 22.10 H new ATOM 1137 N ARG A 71 -13.710 9.047 -0.502 1.00 23.01 N ATOM 1138 CA ARG A 71 -14.718 10.099 -0.557 1.00 24.52 C ATOM 1139 C ARG A 71 -14.905 10.598 -1.987 1.00 2.45 C ATOM 1140 O ARG A 71 -16.021 10.623 -2.504 1.00 3.31 O ATOM 1141 CB ARG A 71 -14.320 11.263 0.353 1.00 43.22 C ATOM 1142 CG ARG A 71 -15.492 12.132 0.778 1.00 73.35 C ATOM 1143 CD ARG A 71 -15.127 13.024 1.954 1.00 43.00 C ATOM 1144 NE ARG A 71 -15.202 12.311 3.226 1.00 63.53 N ATOM 1145 CZ ARG A 71 -15.049 12.898 4.408 1.00 44.13 C ATOM 1146 NH1 ARG A 71 -14.813 14.200 4.479 1.00 12.51 N ATOM 1147 NH2 ARG A 71 -15.131 12.181 5.521 1.00 33.22 N ATOM 0 H ARG A 71 -12.917 9.254 0.105 1.00 23.01 H new ATOM 0 HA ARG A 71 -15.663 9.682 -0.210 1.00 24.52 H new ATOM 0 HB2 ARG A 71 -13.831 10.867 1.243 1.00 43.22 H new ATOM 0 HB3 ARG A 71 -13.587 11.883 -0.164 1.00 43.22 H new ATOM 0 HG2 ARG A 71 -15.812 12.748 -0.062 1.00 73.35 H new ATOM 0 HG3 ARG A 71 -16.337 11.498 1.049 1.00 73.35 H new ATOM 0 HD2 ARG A 71 -14.118 13.412 1.815 1.00 43.00 H new ATOM 0 HD3 ARG A 71 -15.798 13.883 1.980 1.00 43.00 H new ATOM 0 HE ARG A 71 -15.382 11.307 3.206 1.00 63.53 H new ATOM 0 HH11 ARG A 71 -14.748 14.754 3.625 1.00 12.51 H new ATOM 0 HH12 ARG A 71 -14.696 14.648 5.388 1.00 12.51 H new ATOM 0 HH21 ARG A 71 -15.312 11.178 5.470 1.00 33.22 H new ATOM 0 HH22 ARG A 71 -15.013 12.632 6.428 1.00 33.22 H new ATOM 1161 N ASN A 72 -13.805 10.995 -2.618 1.00 34.20 N ATOM 1162 CA ASN A 72 -13.849 11.495 -3.988 1.00 21.30 C ATOM 1163 C ASN A 72 -14.620 10.538 -4.892 1.00 20.13 C ATOM 1164 O ASN A 72 -15.773 10.792 -5.241 1.00 33.24 O ATOM 1165 CB ASN A 72 -12.430 11.691 -4.527 1.00 33.03 C ATOM 1166 CG ASN A 72 -11.817 13.003 -4.077 1.00 60.41 C ATOM 1167 OD1 ASN A 72 -11.720 13.953 -4.853 1.00 53.44 O ATOM 1168 ND2 ASN A 72 -11.399 13.060 -2.818 1.00 22.22 N ATOM 0 H ASN A 72 -12.873 10.980 -2.204 1.00 34.20 H new ATOM 0 HA ASN A 72 -14.365 12.455 -3.981 1.00 21.30 H new ATOM 0 HB2 ASN A 72 -11.801 10.866 -4.194 1.00 33.03 H new ATOM 0 HB3 ASN A 72 -12.450 11.657 -5.616 1.00 33.03 H new ATOM 0 HD21 ASN A 72 -10.977 13.917 -2.459 1.00 22.22 H new ATOM 0 HD22 ASN A 72 -11.500 12.247 -2.210 1.00 22.22 H new ATOM 1175 N ASP A 73 -13.977 9.439 -5.267 1.00 22.04 N ATOM 1176 CA ASP A 73 -14.602 8.443 -6.128 1.00 73.21 C ATOM 1177 C ASP A 73 -15.956 8.016 -5.571 1.00 75.51 C ATOM 1178 O ASP A 73 -16.990 8.197 -6.214 1.00 53.53 O ATOM 1179 CB ASP A 73 -13.692 7.223 -6.279 1.00 61.42 C ATOM 1180 CG ASP A 73 -12.246 7.607 -6.524 1.00 5.12 C ATOM 1181 OD1 ASP A 73 -12.007 8.717 -7.042 1.00 2.10 O ATOM 1182 OD2 ASP A 73 -11.352 6.797 -6.196 1.00 74.43 O ATOM 0 H ASP A 73 -13.022 9.215 -4.988 1.00 22.04 H new ATOM 0 HA ASP A 73 -14.758 8.894 -7.108 1.00 73.21 H new ATOM 0 HB2 ASP A 73 -13.755 6.612 -5.378 1.00 61.42 H new ATOM 0 HB3 ASP A 73 -14.047 6.609 -7.106 1.00 61.42 H new ATOM 1187 N GLY A 74 -15.944 7.445 -4.370 1.00 21.31 N ATOM 1188 CA GLY A 74 -17.176 7.000 -3.746 1.00 40.13 C ATOM 1189 C GLY A 74 -17.197 5.503 -3.508 1.00 53.03 C ATOM 1190 O GLY A 74 -18.265 4.897 -3.412 1.00 14.55 O ATOM 0 H GLY A 74 -15.102 7.283 -3.818 1.00 21.31 H new ATOM 0 HA2 GLY A 74 -17.306 7.518 -2.796 1.00 40.13 H new ATOM 0 HA3 GLY A 74 -18.020 7.276 -4.378 1.00 40.13 H new ATOM 1194 N VAL A 75 -16.015 4.903 -3.414 1.00 40.21 N ATOM 1195 CA VAL A 75 -15.902 3.468 -3.186 1.00 42.12 C ATOM 1196 C VAL A 75 -15.912 3.146 -1.696 1.00 23.34 C ATOM 1197 O VAL A 75 -16.054 4.036 -0.857 1.00 14.11 O ATOM 1198 CB VAL A 75 -14.615 2.899 -3.814 1.00 2.14 C ATOM 1199 CG1 VAL A 75 -14.677 2.987 -5.331 1.00 54.51 C ATOM 1200 CG2 VAL A 75 -13.393 3.631 -3.279 1.00 34.32 C ATOM 0 H VAL A 75 -15.122 5.389 -3.492 1.00 40.21 H new ATOM 0 HA VAL A 75 -16.766 3.003 -3.661 1.00 42.12 H new ATOM 0 HB VAL A 75 -14.531 1.848 -3.538 1.00 2.14 H new ATOM 0 HG11 VAL A 75 -13.760 2.581 -5.757 1.00 54.51 H new ATOM 0 HG12 VAL A 75 -15.530 2.414 -5.694 1.00 54.51 H new ATOM 0 HG13 VAL A 75 -14.785 4.029 -5.631 1.00 54.51 H new ATOM 0 HG21 VAL A 75 -12.493 3.216 -3.733 1.00 34.32 H new ATOM 0 HG22 VAL A 75 -13.468 4.691 -3.523 1.00 34.32 H new ATOM 0 HG23 VAL A 75 -13.342 3.511 -2.197 1.00 34.32 H new ATOM 1210 N THR A 76 -15.760 1.865 -1.371 1.00 54.03 N ATOM 1211 CA THR A 76 -15.753 1.425 0.017 1.00 22.52 C ATOM 1212 C THR A 76 -14.872 0.193 0.198 1.00 30.34 C ATOM 1213 O THR A 76 -15.051 -0.816 -0.485 1.00 23.03 O ATOM 1214 CB THR A 76 -17.176 1.101 0.512 1.00 1.51 C ATOM 1215 OG1 THR A 76 -18.083 2.126 0.094 1.00 13.24 O ATOM 1216 CG2 THR A 76 -17.206 0.977 2.028 1.00 65.22 C ATOM 0 H THR A 76 -15.640 1.115 -2.052 1.00 54.03 H new ATOM 0 HA THR A 76 -15.350 2.248 0.607 1.00 22.52 H new ATOM 0 HB THR A 76 -17.480 0.148 0.080 1.00 1.51 H new ATOM 0 HG1 THR A 76 -18.986 1.913 0.411 1.00 13.24 H new ATOM 0 HG21 THR A 76 -18.221 0.748 2.354 1.00 65.22 H new ATOM 0 HG22 THR A 76 -16.535 0.177 2.341 1.00 65.22 H new ATOM 0 HG23 THR A 76 -16.884 1.917 2.476 1.00 65.22 H new ATOM 1224 N LEU A 77 -13.922 0.282 1.123 1.00 30.31 N ATOM 1225 CA LEU A 77 -13.014 -0.827 1.395 1.00 5.23 C ATOM 1226 C LEU A 77 -13.719 -1.930 2.177 1.00 34.25 C ATOM 1227 O LEU A 77 -14.514 -1.656 3.075 1.00 35.42 O ATOM 1228 CB LEU A 77 -11.794 -0.333 2.175 1.00 54.11 C ATOM 1229 CG LEU A 77 -10.937 0.726 1.481 1.00 13.23 C ATOM 1230 CD1 LEU A 77 -11.150 2.089 2.122 1.00 45.20 C ATOM 1231 CD2 LEU A 77 -9.467 0.336 1.527 1.00 72.33 C ATOM 0 H LEU A 77 -13.761 1.110 1.697 1.00 30.31 H new ATOM 0 HA LEU A 77 -12.686 -1.238 0.440 1.00 5.23 H new ATOM 0 HB2 LEU A 77 -12.136 0.072 3.127 1.00 54.11 H new ATOM 0 HB3 LEU A 77 -11.162 -1.191 2.403 1.00 54.11 H new ATOM 0 HG LEU A 77 -11.243 0.787 0.437 1.00 13.23 H new ATOM 0 HD11 LEU A 77 -10.532 2.830 1.615 1.00 45.20 H new ATOM 0 HD12 LEU A 77 -12.199 2.372 2.036 1.00 45.20 H new ATOM 0 HD13 LEU A 77 -10.872 2.043 3.175 1.00 45.20 H new ATOM 0 HD21 LEU A 77 -8.872 1.101 1.028 1.00 72.33 H new ATOM 0 HD22 LEU A 77 -9.147 0.246 2.565 1.00 72.33 H new ATOM 0 HD23 LEU A 77 -9.328 -0.619 1.021 1.00 72.33 H new ATOM 1243 N SER A 78 -13.420 -3.178 1.831 1.00 73.05 N ATOM 1244 CA SER A 78 -14.028 -4.323 2.499 1.00 43.22 C ATOM 1245 C SER A 78 -13.423 -4.527 3.884 1.00 4.42 C ATOM 1246 O SER A 78 -12.474 -3.842 4.266 1.00 4.24 O ATOM 1247 CB SER A 78 -13.843 -5.588 1.658 1.00 64.44 C ATOM 1248 OG SER A 78 -14.942 -5.786 0.786 1.00 43.21 O ATOM 0 H SER A 78 -12.761 -3.422 1.092 1.00 73.05 H new ATOM 0 HA SER A 78 -15.093 -4.123 2.612 1.00 43.22 H new ATOM 0 HB2 SER A 78 -12.924 -5.511 1.078 1.00 64.44 H new ATOM 0 HB3 SER A 78 -13.735 -6.452 2.314 1.00 64.44 H new ATOM 0 HG SER A 78 -14.799 -6.599 0.259 1.00 43.21 H new ATOM 1254 N ASP A 79 -13.978 -5.474 4.632 1.00 60.12 N ATOM 1255 CA ASP A 79 -13.494 -5.770 5.976 1.00 50.13 C ATOM 1256 C ASP A 79 -11.985 -5.999 5.971 1.00 50.13 C ATOM 1257 O ASP A 79 -11.228 -5.219 6.549 1.00 42.32 O ATOM 1258 CB ASP A 79 -14.207 -7.001 6.538 1.00 43.52 C ATOM 1259 CG ASP A 79 -15.584 -6.673 7.082 1.00 43.42 C ATOM 1260 OD1 ASP A 79 -16.509 -6.471 6.270 1.00 72.33 O ATOM 1261 OD2 ASP A 79 -15.734 -6.618 8.321 1.00 12.10 O ATOM 0 H ASP A 79 -14.764 -6.050 4.331 1.00 60.12 H new ATOM 0 HA ASP A 79 -13.712 -4.912 6.612 1.00 50.13 H new ATOM 0 HB2 ASP A 79 -14.298 -7.754 5.755 1.00 43.52 H new ATOM 0 HB3 ASP A 79 -13.601 -7.438 7.331 1.00 43.52 H new ATOM 1266 N TYR A 80 -11.557 -7.073 5.317 1.00 53.45 N ATOM 1267 CA TYR A 80 -10.140 -7.406 5.240 1.00 3.12 C ATOM 1268 C TYR A 80 -9.327 -6.219 4.733 1.00 75.23 C ATOM 1269 O TYR A 80 -8.211 -5.977 5.190 1.00 45.45 O ATOM 1270 CB TYR A 80 -9.927 -8.613 4.324 1.00 22.34 C ATOM 1271 CG TYR A 80 -10.334 -8.362 2.890 1.00 63.53 C ATOM 1272 CD1 TYR A 80 -11.667 -8.434 2.503 1.00 0.20 C ATOM 1273 CD2 TYR A 80 -9.386 -8.058 1.921 1.00 61.13 C ATOM 1274 CE1 TYR A 80 -12.043 -8.207 1.193 1.00 12.34 C ATOM 1275 CE2 TYR A 80 -9.754 -7.828 0.609 1.00 24.11 C ATOM 1276 CZ TYR A 80 -11.083 -7.904 0.250 1.00 1.42 C ATOM 1277 OH TYR A 80 -11.453 -7.678 -1.056 1.00 13.43 O ATOM 0 H TYR A 80 -12.171 -7.728 4.833 1.00 53.45 H new ATOM 0 HA TYR A 80 -9.797 -7.655 6.244 1.00 3.12 H new ATOM 0 HB2 TYR A 80 -8.875 -8.898 4.350 1.00 22.34 H new ATOM 0 HB3 TYR A 80 -10.496 -9.458 4.712 1.00 22.34 H new ATOM 0 HD1 TYR A 80 -12.421 -8.671 3.238 1.00 0.20 H new ATOM 0 HD2 TYR A 80 -8.344 -8.000 2.198 1.00 61.13 H new ATOM 0 HE1 TYR A 80 -13.083 -8.266 0.909 1.00 12.34 H new ATOM 0 HE2 TYR A 80 -9.004 -7.590 -0.131 1.00 24.11 H new ATOM 0 HH TYR A 80 -10.657 -7.476 -1.591 1.00 13.43 H new ATOM 1287 N GLN A 81 -9.897 -5.481 3.786 1.00 74.32 N ATOM 1288 CA GLN A 81 -9.227 -4.319 3.216 1.00 74.22 C ATOM 1289 C GLN A 81 -8.918 -3.286 4.294 1.00 12.30 C ATOM 1290 O GLN A 81 -7.757 -3.059 4.636 1.00 51.45 O ATOM 1291 CB GLN A 81 -10.093 -3.690 2.123 1.00 14.23 C ATOM 1292 CG GLN A 81 -9.926 -4.344 0.762 1.00 12.41 C ATOM 1293 CD GLN A 81 -10.555 -3.536 -0.356 1.00 64.01 C ATOM 1294 OE1 GLN A 81 -10.785 -2.335 -0.215 1.00 40.31 O ATOM 1295 NE2 GLN A 81 -10.837 -4.192 -1.475 1.00 75.50 N ATOM 0 H GLN A 81 -10.821 -5.667 3.397 1.00 74.32 H new ATOM 0 HA GLN A 81 -8.286 -4.652 2.778 1.00 74.22 H new ATOM 0 HB2 GLN A 81 -11.140 -3.752 2.420 1.00 14.23 H new ATOM 0 HB3 GLN A 81 -9.847 -2.631 2.041 1.00 14.23 H new ATOM 0 HG2 GLN A 81 -8.864 -4.477 0.555 1.00 12.41 H new ATOM 0 HG3 GLN A 81 -10.374 -5.337 0.783 1.00 12.41 H new ATOM 0 HE21 GLN A 81 -10.629 -5.188 -1.548 1.00 75.50 H new ATOM 0 HE22 GLN A 81 -11.261 -3.700 -2.261 1.00 75.50 H new ATOM 1304 N SER A 82 -9.963 -2.661 4.826 1.00 31.24 N ATOM 1305 CA SER A 82 -9.803 -1.649 5.863 1.00 3.15 C ATOM 1306 C SER A 82 -8.913 -2.163 6.991 1.00 40.32 C ATOM 1307 O SER A 82 -8.160 -1.402 7.599 1.00 3.33 O ATOM 1308 CB SER A 82 -11.167 -1.239 6.421 1.00 24.23 C ATOM 1309 OG SER A 82 -11.732 -2.279 7.202 1.00 41.25 O ATOM 0 H SER A 82 -10.930 -2.838 4.556 1.00 31.24 H new ATOM 0 HA SER A 82 -9.325 -0.778 5.415 1.00 3.15 H new ATOM 0 HB2 SER A 82 -11.060 -0.341 7.029 1.00 24.23 H new ATOM 0 HB3 SER A 82 -11.839 -0.990 5.600 1.00 24.23 H new ATOM 0 HG SER A 82 -11.485 -3.147 6.819 1.00 41.25 H new ATOM 1315 N LYS A 83 -9.004 -3.460 7.265 1.00 54.24 N ATOM 1316 CA LYS A 83 -8.207 -4.079 8.317 1.00 12.45 C ATOM 1317 C LYS A 83 -6.723 -4.046 7.967 1.00 61.24 C ATOM 1318 O LYS A 83 -5.898 -3.587 8.756 1.00 45.24 O ATOM 1319 CB LYS A 83 -8.657 -5.523 8.544 1.00 54.11 C ATOM 1320 CG LYS A 83 -9.667 -5.677 9.668 1.00 45.11 C ATOM 1321 CD LYS A 83 -9.889 -7.138 10.023 1.00 51.32 C ATOM 1322 CE LYS A 83 -8.688 -7.724 10.746 1.00 23.52 C ATOM 1323 NZ LYS A 83 -9.041 -8.964 11.492 1.00 61.12 N ATOM 0 H LYS A 83 -9.623 -4.104 6.772 1.00 54.24 H new ATOM 0 HA LYS A 83 -8.358 -3.510 9.234 1.00 12.45 H new ATOM 0 HB2 LYS A 83 -9.091 -5.908 7.622 1.00 54.11 H new ATOM 0 HB3 LYS A 83 -7.783 -6.136 8.766 1.00 54.11 H new ATOM 0 HG2 LYS A 83 -9.318 -5.137 10.548 1.00 45.11 H new ATOM 0 HG3 LYS A 83 -10.614 -5.226 9.372 1.00 45.11 H new ATOM 0 HD2 LYS A 83 -10.774 -7.230 10.652 1.00 51.32 H new ATOM 0 HD3 LYS A 83 -10.082 -7.709 9.115 1.00 51.32 H new ATOM 0 HE2 LYS A 83 -7.902 -7.946 10.024 1.00 23.52 H new ATOM 0 HE3 LYS A 83 -8.285 -6.985 11.439 1.00 23.52 H new ATOM 0 HZ1 LYS A 83 -8.195 -9.333 11.972 1.00 61.12 H new ATOM 0 HZ2 LYS A 83 -9.773 -8.748 12.198 1.00 61.12 H new ATOM 0 HZ3 LYS A 83 -9.402 -9.678 10.827 1.00 61.12 H new ATOM 1337 N LYS A 84 -6.390 -4.535 6.776 1.00 22.25 N ATOM 1338 CA LYS A 84 -5.006 -4.560 6.319 1.00 64.31 C ATOM 1339 C LYS A 84 -4.422 -3.152 6.276 1.00 54.04 C ATOM 1340 O LYS A 84 -3.203 -2.974 6.278 1.00 15.32 O ATOM 1341 CB LYS A 84 -4.917 -5.204 4.934 1.00 12.41 C ATOM 1342 CG LYS A 84 -5.036 -4.209 3.792 1.00 51.21 C ATOM 1343 CD LYS A 84 -3.670 -3.759 3.301 1.00 42.40 C ATOM 1344 CE LYS A 84 -3.751 -2.426 2.574 1.00 13.42 C ATOM 1345 NZ LYS A 84 -2.946 -2.426 1.321 1.00 11.11 N ATOM 0 H LYS A 84 -7.061 -4.919 6.110 1.00 22.25 H new ATOM 0 HA LYS A 84 -4.426 -5.153 7.026 1.00 64.31 H new ATOM 0 HB2 LYS A 84 -3.967 -5.731 4.848 1.00 12.41 H new ATOM 0 HB3 LYS A 84 -5.706 -5.950 4.838 1.00 12.41 H new ATOM 0 HG2 LYS A 84 -5.588 -4.662 2.969 1.00 51.21 H new ATOM 0 HG3 LYS A 84 -5.609 -3.342 4.121 1.00 51.21 H new ATOM 0 HD2 LYS A 84 -2.988 -3.672 4.147 1.00 42.40 H new ATOM 0 HD3 LYS A 84 -3.255 -4.514 2.633 1.00 42.40 H new ATOM 0 HE2 LYS A 84 -4.792 -2.205 2.337 1.00 13.42 H new ATOM 0 HE3 LYS A 84 -3.398 -1.632 3.232 1.00 13.42 H new ATOM 0 HZ1 LYS A 84 -3.221 -1.614 0.732 1.00 11.11 H new ATOM 0 HZ2 LYS A 84 -1.936 -2.356 1.557 1.00 11.11 H new ATOM 0 HZ3 LYS A 84 -3.119 -3.308 0.797 1.00 11.11 H new ATOM 1359 N LEU A 85 -5.298 -2.154 6.237 1.00 5.10 N ATOM 1360 CA LEU A 85 -4.869 -0.760 6.195 1.00 3.22 C ATOM 1361 C LEU A 85 -4.166 -0.367 7.491 1.00 63.21 C ATOM 1362 O LEU A 85 -3.234 0.437 7.486 1.00 53.53 O ATOM 1363 CB LEU A 85 -6.069 0.156 5.954 1.00 11.43 C ATOM 1364 CG LEU A 85 -5.937 1.145 4.795 1.00 11.24 C ATOM 1365 CD1 LEU A 85 -6.356 0.493 3.487 1.00 45.43 C ATOM 1366 CD2 LEU A 85 -6.767 2.393 5.060 1.00 5.15 C ATOM 0 H LEU A 85 -6.310 -2.284 6.234 1.00 5.10 H new ATOM 0 HA LEU A 85 -4.163 -0.647 5.372 1.00 3.22 H new ATOM 0 HB2 LEU A 85 -6.946 -0.467 5.776 1.00 11.43 H new ATOM 0 HB3 LEU A 85 -6.259 0.720 6.867 1.00 11.43 H new ATOM 0 HG LEU A 85 -4.891 1.440 4.712 1.00 11.24 H new ATOM 0 HD11 LEU A 85 -6.255 1.212 2.674 1.00 45.43 H new ATOM 0 HD12 LEU A 85 -5.719 -0.369 3.290 1.00 45.43 H new ATOM 0 HD13 LEU A 85 -7.394 0.169 3.558 1.00 45.43 H new ATOM 0 HD21 LEU A 85 -6.660 3.085 4.225 1.00 5.15 H new ATOM 0 HD22 LEU A 85 -7.815 2.116 5.170 1.00 5.15 H new ATOM 0 HD23 LEU A 85 -6.420 2.873 5.975 1.00 5.15 H new ATOM 1378 N LYS A 86 -4.618 -0.941 8.600 1.00 65.43 N ATOM 1379 CA LYS A 86 -4.031 -0.655 9.904 1.00 71.42 C ATOM 1380 C LYS A 86 -2.643 -1.275 10.024 1.00 20.10 C ATOM 1381 O LYS A 86 -1.917 -1.012 10.983 1.00 73.34 O ATOM 1382 CB LYS A 86 -4.936 -1.183 11.020 1.00 71.22 C ATOM 1383 CG LYS A 86 -4.806 -2.679 11.252 1.00 75.12 C ATOM 1384 CD LYS A 86 -3.964 -2.982 12.478 1.00 23.21 C ATOM 1385 CE LYS A 86 -4.830 -3.218 13.706 1.00 1.13 C ATOM 1386 NZ LYS A 86 -5.054 -1.963 14.476 1.00 20.34 N ATOM 0 H LYS A 86 -5.390 -1.608 8.622 1.00 65.43 H new ATOM 0 HA LYS A 86 -3.936 0.426 10.003 1.00 71.42 H new ATOM 0 HB2 LYS A 86 -4.701 -0.658 11.946 1.00 71.22 H new ATOM 0 HB3 LYS A 86 -5.973 -0.950 10.776 1.00 71.22 H new ATOM 0 HG2 LYS A 86 -5.797 -3.117 11.373 1.00 75.12 H new ATOM 0 HG3 LYS A 86 -4.356 -3.146 10.376 1.00 75.12 H new ATOM 0 HD2 LYS A 86 -3.350 -3.863 12.290 1.00 23.21 H new ATOM 0 HD3 LYS A 86 -3.282 -2.153 12.666 1.00 23.21 H new ATOM 0 HE2 LYS A 86 -5.790 -3.632 13.399 1.00 1.13 H new ATOM 0 HE3 LYS A 86 -4.354 -3.959 14.349 1.00 1.13 H new ATOM 0 HZ1 LYS A 86 -5.648 -2.166 15.305 1.00 20.34 H new ATOM 0 HZ2 LYS A 86 -4.139 -1.581 14.791 1.00 20.34 H new ATOM 0 HZ3 LYS A 86 -5.531 -1.265 13.871 1.00 20.34 H new ATOM 1400 N GLU A 87 -2.280 -2.097 9.045 1.00 62.43 N ATOM 1401 CA GLU A 87 -0.978 -2.753 9.042 1.00 24.24 C ATOM 1402 C GLU A 87 0.149 -1.725 9.060 1.00 5.24 C ATOM 1403 O GLU A 87 0.749 -1.463 10.104 1.00 1.25 O ATOM 1404 CB GLU A 87 -0.839 -3.656 7.815 1.00 50.32 C ATOM 1405 CG GLU A 87 -1.738 -4.880 7.855 1.00 71.12 C ATOM 1406 CD GLU A 87 -1.137 -6.021 8.653 1.00 52.55 C ATOM 1407 OE1 GLU A 87 0.107 -6.134 8.680 1.00 55.44 O ATOM 1408 OE2 GLU A 87 -1.908 -6.800 9.249 1.00 73.22 O ATOM 0 H GLU A 87 -2.869 -2.325 8.244 1.00 62.43 H new ATOM 0 HA GLU A 87 -0.906 -3.363 9.943 1.00 24.24 H new ATOM 0 HB2 GLU A 87 -1.068 -3.077 6.920 1.00 50.32 H new ATOM 0 HB3 GLU A 87 0.198 -3.980 7.728 1.00 50.32 H new ATOM 0 HG2 GLU A 87 -2.700 -4.606 8.289 1.00 71.12 H new ATOM 0 HG3 GLU A 87 -1.932 -5.217 6.837 1.00 71.12 H new ATOM 1415 N LEU A 88 0.433 -1.145 7.899 1.00 40.24 N ATOM 1416 CA LEU A 88 1.489 -0.146 7.780 1.00 34.21 C ATOM 1417 C LEU A 88 1.156 1.097 8.600 1.00 44.52 C ATOM 1418 O LEU A 88 1.993 1.986 8.767 1.00 34.14 O ATOM 1419 CB LEU A 88 1.693 0.237 6.313 1.00 75.31 C ATOM 1420 CG LEU A 88 0.421 0.395 5.478 1.00 41.31 C ATOM 1421 CD1 LEU A 88 -0.042 -0.954 4.950 1.00 0.33 C ATOM 1422 CD2 LEU A 88 -0.677 1.054 6.298 1.00 14.11 C ATOM 0 H LEU A 88 -0.054 -1.350 7.026 1.00 40.24 H new ATOM 0 HA LEU A 88 2.411 -0.579 8.168 1.00 34.21 H new ATOM 0 HB2 LEU A 88 2.247 1.175 6.277 1.00 75.31 H new ATOM 0 HB3 LEU A 88 2.320 -0.521 5.844 1.00 75.31 H new ATOM 0 HG LEU A 88 0.646 1.037 4.627 1.00 41.31 H new ATOM 0 HD11 LEU A 88 -0.948 -0.822 4.358 1.00 0.33 H new ATOM 0 HD12 LEU A 88 0.739 -1.388 4.326 1.00 0.33 H new ATOM 0 HD13 LEU A 88 -0.249 -1.621 5.787 1.00 0.33 H new ATOM 0 HD21 LEU A 88 -1.574 1.158 5.688 1.00 14.11 H new ATOM 0 HD22 LEU A 88 -0.900 0.438 7.169 1.00 14.11 H new ATOM 0 HD23 LEU A 88 -0.345 2.039 6.626 1.00 14.11 H new ATOM 1434 N THR A 89 -0.069 1.152 9.112 1.00 75.42 N ATOM 1435 CA THR A 89 -0.511 2.284 9.916 1.00 34.00 C ATOM 1436 C THR A 89 0.256 2.359 11.231 1.00 54.05 C ATOM 1437 O THR A 89 0.775 3.412 11.598 1.00 13.15 O ATOM 1438 CB THR A 89 -2.020 2.203 10.219 1.00 0.40 C ATOM 1439 OG1 THR A 89 -2.773 2.417 9.019 1.00 4.05 O ATOM 1440 CG2 THR A 89 -2.418 3.234 11.265 1.00 54.03 C ATOM 0 H THR A 89 -0.773 0.425 8.984 1.00 75.42 H new ATOM 0 HA THR A 89 -0.312 3.182 9.332 1.00 34.00 H new ATOM 0 HB THR A 89 -2.237 1.209 10.611 1.00 0.40 H new ATOM 0 HG1 THR A 89 -2.555 1.718 8.367 1.00 4.05 H new ATOM 0 HG21 THR A 89 -3.487 3.158 11.462 1.00 54.03 H new ATOM 0 HG22 THR A 89 -1.865 3.050 12.186 1.00 54.03 H new ATOM 0 HG23 THR A 89 -2.187 4.234 10.897 1.00 54.03 H new ATOM 1448 N SER A 90 0.325 1.234 11.935 1.00 22.33 N ATOM 1449 CA SER A 90 1.027 1.172 13.211 1.00 14.55 C ATOM 1450 C SER A 90 2.538 1.175 13.001 1.00 11.22 C ATOM 1451 O SER A 90 3.293 1.648 13.851 1.00 20.22 O ATOM 1452 CB SER A 90 0.610 -0.079 13.987 1.00 64.10 C ATOM 1453 OG SER A 90 0.818 0.091 15.379 1.00 74.13 O ATOM 0 H SER A 90 -0.097 0.353 11.643 1.00 22.33 H new ATOM 0 HA SER A 90 0.757 2.056 13.789 1.00 14.55 H new ATOM 0 HB2 SER A 90 -0.441 -0.295 13.797 1.00 64.10 H new ATOM 0 HB3 SER A 90 1.181 -0.937 13.633 1.00 64.10 H new ATOM 0 HG SER A 90 0.542 -0.722 15.853 1.00 74.13 H new ATOM 1459 N ILE A 91 2.971 0.644 11.862 1.00 22.31 N ATOM 1460 CA ILE A 91 4.391 0.586 11.539 1.00 41.11 C ATOM 1461 C ILE A 91 4.946 1.975 11.248 1.00 13.33 C ATOM 1462 O ILE A 91 6.101 2.271 11.556 1.00 51.03 O ATOM 1463 CB ILE A 91 4.655 -0.325 10.325 1.00 13.23 C ATOM 1464 CG1 ILE A 91 4.136 -1.738 10.597 1.00 13.22 C ATOM 1465 CG2 ILE A 91 6.140 -0.354 9.998 1.00 25.22 C ATOM 1466 CD1 ILE A 91 4.098 -2.616 9.366 1.00 2.22 C ATOM 0 H ILE A 91 2.359 0.248 11.148 1.00 22.31 H new ATOM 0 HA ILE A 91 4.896 0.171 12.411 1.00 41.11 H new ATOM 0 HB ILE A 91 4.121 0.078 9.464 1.00 13.23 H new ATOM 0 HG12 ILE A 91 4.768 -2.209 11.350 1.00 13.22 H new ATOM 0 HG13 ILE A 91 3.133 -1.673 11.018 1.00 13.22 H new ATOM 0 HG21 ILE A 91 6.311 -1.002 9.138 1.00 25.22 H new ATOM 0 HG22 ILE A 91 6.481 0.655 9.766 1.00 25.22 H new ATOM 0 HG23 ILE A 91 6.694 -0.736 10.856 1.00 25.22 H new ATOM 0 HD11 ILE A 91 3.720 -3.602 9.634 1.00 2.22 H new ATOM 0 HD12 ILE A 91 3.443 -2.167 8.619 1.00 2.22 H new ATOM 0 HD13 ILE A 91 5.104 -2.712 8.956 1.00 2.22 H new ATOM 1478 N SER A 92 4.115 2.827 10.654 1.00 30.23 N ATOM 1479 CA SER A 92 4.523 4.186 10.320 1.00 53.32 C ATOM 1480 C SER A 92 4.650 5.040 11.578 1.00 41.31 C ATOM 1481 O SER A 92 4.217 4.642 12.658 1.00 21.13 O ATOM 1482 CB SER A 92 3.517 4.821 9.359 1.00 70.14 C ATOM 1483 OG SER A 92 2.194 4.415 9.664 1.00 12.33 O ATOM 0 H SER A 92 3.155 2.599 10.395 1.00 30.23 H new ATOM 0 HA SER A 92 5.498 4.137 9.835 1.00 53.32 H new ATOM 0 HB2 SER A 92 3.590 5.907 9.417 1.00 70.14 H new ATOM 0 HB3 SER A 92 3.760 4.539 8.335 1.00 70.14 H new ATOM 0 HG SER A 92 1.926 3.691 9.060 1.00 12.33 H new