USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=20 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 60 SER OG : rot 102:sc= 1.26 USER MOD Set 1.2: A 92 SER OG : rot -18:sc= -1.41 USER MOD Single : A 14 SER OG : rot -10:sc= -1.57! USER MOD Single : A 15 ASN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.334 K(o=-0.33,f=-4!) USER MOD Single : A 19 ASN : amide:sc= -0.695 K(o=-0.7,f=-1.7) USER MOD Single : A 22 THR OG1 : rot 81:sc= 0.228 USER MOD Single : A 36 SER OG : rot 35:sc= 0.187 USER MOD Single : A 38 LYS NZ :NH3+ -119:sc= -0.0292 (180deg=-0.394) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 44 TYR OH : rot 158:sc= 0.237 USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= -0.588 (180deg=-0.897) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 51 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.578) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.418 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 1.02 K(o=1,f=-0.0036) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.0037) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -138:sc= 0.269 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.8!) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 168:sc= -0.164 (180deg=-0.37) USER MOD Single : A 86 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0296) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 194 N ARG A 13 10.201 -4.775 8.690 1.00 52.12 N ATOM 195 CA ARG A 13 9.051 -3.880 8.726 1.00 54.44 C ATOM 196 C ARG A 13 8.854 -3.193 7.377 1.00 61.14 C ATOM 197 O ARG A 13 7.725 -2.928 6.963 1.00 73.23 O ATOM 198 CB ARG A 13 9.229 -2.830 9.823 1.00 3.02 C ATOM 199 CG ARG A 13 9.246 -3.412 11.227 1.00 24.21 C ATOM 200 CD ARG A 13 7.863 -3.877 11.654 1.00 13.22 C ATOM 201 NE ARG A 13 7.926 -4.927 12.668 1.00 51.35 N ATOM 202 CZ ARG A 13 8.225 -6.193 12.396 1.00 14.44 C ATOM 203 NH1 ARG A 13 8.484 -6.563 11.150 1.00 65.31 N ATOM 204 NH2 ARG A 13 8.262 -7.091 13.373 1.00 3.45 N ATOM 0 HA ARG A 13 8.165 -4.477 8.944 1.00 54.44 H new ATOM 0 HB2 ARG A 13 10.161 -2.292 9.651 1.00 3.02 H new ATOM 0 HB3 ARG A 13 8.422 -2.101 9.751 1.00 3.02 H new ATOM 0 HG2 ARG A 13 9.941 -4.251 11.266 1.00 24.21 H new ATOM 0 HG3 ARG A 13 9.612 -2.662 11.928 1.00 24.21 H new ATOM 0 HD2 ARG A 13 7.300 -3.029 12.045 1.00 13.22 H new ATOM 0 HD3 ARG A 13 7.320 -4.246 10.784 1.00 13.22 H new ATOM 0 HE ARG A 13 7.730 -4.675 13.637 1.00 51.35 H new ATOM 0 HH11 ARG A 13 8.454 -5.875 10.397 1.00 65.31 H new ATOM 0 HH12 ARG A 13 8.713 -7.535 10.944 1.00 65.31 H new ATOM 0 HH21 ARG A 13 8.061 -6.809 14.332 1.00 3.45 H new ATOM 0 HH22 ARG A 13 8.491 -8.063 13.164 1.00 3.45 H new ATOM 218 N SER A 14 9.960 -2.907 6.697 1.00 70.10 N ATOM 219 CA SER A 14 9.909 -2.248 5.397 1.00 1.33 C ATOM 220 C SER A 14 9.231 -3.139 4.361 1.00 25.12 C ATOM 221 O SER A 14 8.353 -2.696 3.624 1.00 13.34 O ATOM 222 CB SER A 14 11.320 -1.885 4.931 1.00 0.10 C ATOM 223 OG SER A 14 11.918 -0.939 5.801 1.00 74.22 O ATOM 0 H SER A 14 10.902 -3.121 7.025 1.00 70.10 H new ATOM 0 HA SER A 14 9.323 -1.335 5.503 1.00 1.33 H new ATOM 0 HB2 SER A 14 11.935 -2.784 4.889 1.00 0.10 H new ATOM 0 HB3 SER A 14 11.279 -1.479 3.920 1.00 0.10 H new ATOM 0 HG SER A 14 11.244 -0.597 6.425 1.00 74.22 H new ATOM 229 N ASN A 15 9.649 -4.401 4.312 1.00 30.05 N ATOM 230 CA ASN A 15 9.084 -5.356 3.367 1.00 62.11 C ATOM 231 C ASN A 15 7.671 -5.756 3.777 1.00 34.32 C ATOM 232 O ASN A 15 6.924 -6.334 2.987 1.00 70.34 O ATOM 233 CB ASN A 15 9.972 -6.599 3.274 1.00 33.44 C ATOM 234 CG ASN A 15 11.236 -6.348 2.475 1.00 63.20 C ATOM 235 OD1 ASN A 15 11.407 -6.882 1.379 1.00 21.24 O ATOM 236 ND2 ASN A 15 12.130 -5.532 3.023 1.00 74.34 N ATOM 0 H ASN A 15 10.376 -4.784 4.916 1.00 30.05 H new ATOM 0 HA ASN A 15 9.037 -4.877 2.389 1.00 62.11 H new ATOM 0 HB2 ASN A 15 10.240 -6.927 4.278 1.00 33.44 H new ATOM 0 HB3 ASN A 15 9.409 -7.411 2.813 1.00 33.44 H new ATOM 0 HD21 ASN A 15 13.000 -5.326 2.533 1.00 74.34 H new ATOM 0 HD22 ASN A 15 11.946 -5.112 3.934 1.00 74.34 H new ATOM 243 N GLN A 16 7.310 -5.445 5.018 1.00 72.21 N ATOM 244 CA GLN A 16 5.985 -5.772 5.533 1.00 64.22 C ATOM 245 C GLN A 16 4.896 -5.115 4.693 1.00 40.23 C ATOM 246 O GLN A 16 4.087 -5.797 4.064 1.00 14.11 O ATOM 247 CB GLN A 16 5.858 -5.329 6.992 1.00 52.32 C ATOM 248 CG GLN A 16 4.631 -5.887 7.692 1.00 31.40 C ATOM 249 CD GLN A 16 4.843 -6.076 9.181 1.00 0.44 C ATOM 250 OE1 GLN A 16 5.960 -5.941 9.682 1.00 25.02 O ATOM 251 NE2 GLN A 16 3.770 -6.388 9.899 1.00 4.21 N ATOM 0 H GLN A 16 7.916 -4.967 5.685 1.00 72.21 H new ATOM 0 HA GLN A 16 5.858 -6.853 5.476 1.00 64.22 H new ATOM 0 HB2 GLN A 16 6.750 -5.640 7.536 1.00 52.32 H new ATOM 0 HB3 GLN A 16 5.825 -4.240 7.031 1.00 52.32 H new ATOM 0 HG2 GLN A 16 3.789 -5.214 7.532 1.00 31.40 H new ATOM 0 HG3 GLN A 16 4.365 -6.844 7.243 1.00 31.40 H new ATOM 0 HE21 GLN A 16 2.863 -6.490 9.443 1.00 4.21 H new ATOM 0 HE22 GLN A 16 3.853 -6.525 10.906 1.00 4.21 H new ATOM 260 N ALA A 17 4.883 -3.786 4.686 1.00 73.11 N ATOM 261 CA ALA A 17 3.894 -3.036 3.921 1.00 60.43 C ATOM 262 C ALA A 17 3.839 -3.516 2.475 1.00 43.44 C ATOM 263 O ALA A 17 2.765 -3.800 1.946 1.00 70.21 O ATOM 264 CB ALA A 17 4.204 -1.547 3.974 1.00 71.34 C ATOM 0 H ALA A 17 5.546 -3.207 5.201 1.00 73.11 H new ATOM 0 HA ALA A 17 2.916 -3.208 4.371 1.00 60.43 H new ATOM 0 HB1 ALA A 17 3.458 -0.999 3.399 1.00 71.34 H new ATOM 0 HB2 ALA A 17 4.184 -1.208 5.010 1.00 71.34 H new ATOM 0 HB3 ALA A 17 5.192 -1.366 3.552 1.00 71.34 H new ATOM 270 N GLU A 18 5.004 -3.603 1.840 1.00 45.32 N ATOM 271 CA GLU A 18 5.087 -4.047 0.453 1.00 24.21 C ATOM 272 C GLU A 18 4.365 -5.378 0.264 1.00 25.33 C ATOM 273 O GLU A 18 3.634 -5.567 -0.706 1.00 11.11 O ATOM 274 CB GLU A 18 6.550 -4.183 0.025 1.00 41.53 C ATOM 275 CG GLU A 18 6.728 -4.815 -1.345 1.00 34.42 C ATOM 276 CD GLU A 18 7.195 -6.256 -1.265 1.00 4.12 C ATOM 277 OE1 GLU A 18 8.243 -6.506 -0.634 1.00 41.33 O ATOM 278 OE2 GLU A 18 6.513 -7.133 -1.834 1.00 33.41 O ATOM 0 H GLU A 18 5.903 -3.372 2.264 1.00 45.32 H new ATOM 0 HA GLU A 18 4.601 -3.298 -0.172 1.00 24.21 H new ATOM 0 HB2 GLU A 18 7.012 -3.196 0.023 1.00 41.53 H new ATOM 0 HB3 GLU A 18 7.082 -4.782 0.764 1.00 41.53 H new ATOM 0 HG2 GLU A 18 5.783 -4.772 -1.886 1.00 34.42 H new ATOM 0 HG3 GLU A 18 7.450 -4.234 -1.918 1.00 34.42 H new ATOM 285 N ASN A 19 4.578 -6.298 1.200 1.00 64.24 N ATOM 286 CA ASN A 19 3.950 -7.613 1.137 1.00 14.33 C ATOM 287 C ASN A 19 2.436 -7.499 1.285 1.00 31.21 C ATOM 288 O ASN A 19 1.680 -8.165 0.577 1.00 62.12 O ATOM 289 CB ASN A 19 4.514 -8.523 2.229 1.00 72.44 C ATOM 290 CG ASN A 19 5.979 -8.846 2.012 1.00 63.54 C ATOM 291 OD1 ASN A 19 6.483 -8.779 0.890 1.00 14.45 O ATOM 292 ND2 ASN A 19 6.672 -9.201 3.088 1.00 44.11 N ATOM 0 H ASN A 19 5.181 -6.157 2.011 1.00 64.24 H new ATOM 0 HA ASN A 19 4.170 -8.048 0.162 1.00 14.33 H new ATOM 0 HB2 ASN A 19 4.391 -8.041 3.199 1.00 72.44 H new ATOM 0 HB3 ASN A 19 3.941 -9.450 2.258 1.00 72.44 H new ATOM 0 HD21 ASN A 19 7.662 -9.431 3.004 1.00 44.11 H new ATOM 0 HD22 ASN A 19 6.214 -9.243 3.998 1.00 44.11 H new ATOM 299 N ILE A 20 2.000 -6.650 2.210 1.00 23.43 N ATOM 300 CA ILE A 20 0.577 -6.448 2.451 1.00 55.31 C ATOM 301 C ILE A 20 -0.126 -5.941 1.195 1.00 10.25 C ATOM 302 O ILE A 20 -1.131 -6.506 0.763 1.00 62.20 O ATOM 303 CB ILE A 20 0.335 -5.450 3.599 1.00 24.41 C ATOM 304 CG1 ILE A 20 0.967 -5.967 4.894 1.00 73.42 C ATOM 305 CG2 ILE A 20 -1.155 -5.211 3.789 1.00 75.10 C ATOM 306 CD1 ILE A 20 1.119 -4.903 5.958 1.00 60.33 C ATOM 0 H ILE A 20 2.612 -6.091 2.805 1.00 23.43 H new ATOM 0 HA ILE A 20 0.164 -7.417 2.731 1.00 55.31 H new ATOM 0 HB ILE A 20 0.804 -4.501 3.341 1.00 24.41 H new ATOM 0 HG12 ILE A 20 0.356 -6.779 5.288 1.00 73.42 H new ATOM 0 HG13 ILE A 20 1.947 -6.386 4.668 1.00 73.42 H new ATOM 0 HG21 ILE A 20 -1.309 -4.504 4.604 1.00 75.10 H new ATOM 0 HG22 ILE A 20 -1.578 -4.804 2.871 1.00 75.10 H new ATOM 0 HG23 ILE A 20 -1.647 -6.154 4.029 1.00 75.10 H new ATOM 0 HD11 ILE A 20 1.573 -5.340 6.847 1.00 60.33 H new ATOM 0 HD12 ILE A 20 1.755 -4.101 5.583 1.00 60.33 H new ATOM 0 HD13 ILE A 20 0.139 -4.500 6.212 1.00 60.33 H new ATOM 318 N ILE A 21 0.409 -4.872 0.615 1.00 62.31 N ATOM 319 CA ILE A 21 -0.165 -4.290 -0.591 1.00 64.44 C ATOM 320 C ILE A 21 -0.387 -5.354 -1.662 1.00 13.45 C ATOM 321 O ILE A 21 -1.413 -5.360 -2.344 1.00 64.20 O ATOM 322 CB ILE A 21 0.737 -3.182 -1.166 1.00 14.55 C ATOM 323 CG1 ILE A 21 0.934 -2.069 -0.133 1.00 54.12 C ATOM 324 CG2 ILE A 21 0.137 -2.622 -2.446 1.00 54.43 C ATOM 325 CD1 ILE A 21 1.974 -1.048 -0.536 1.00 75.15 C ATOM 0 H ILE A 21 1.239 -4.391 0.961 1.00 62.31 H new ATOM 0 HA ILE A 21 -1.124 -3.856 -0.307 1.00 64.44 H new ATOM 0 HB ILE A 21 1.711 -3.612 -1.402 1.00 14.55 H new ATOM 0 HG12 ILE A 21 -0.017 -1.562 0.029 1.00 54.12 H new ATOM 0 HG13 ILE A 21 1.224 -2.515 0.819 1.00 54.12 H new ATOM 0 HG21 ILE A 21 0.786 -1.840 -2.840 1.00 54.43 H new ATOM 0 HG22 ILE A 21 0.041 -3.420 -3.182 1.00 54.43 H new ATOM 0 HG23 ILE A 21 -0.847 -2.204 -2.234 1.00 54.43 H new ATOM 0 HD11 ILE A 21 2.060 -0.290 0.242 1.00 75.15 H new ATOM 0 HD12 ILE A 21 2.936 -1.542 -0.670 1.00 75.15 H new ATOM 0 HD13 ILE A 21 1.676 -0.575 -1.472 1.00 75.15 H new ATOM 337 N THR A 22 0.580 -6.254 -1.804 1.00 21.54 N ATOM 338 CA THR A 22 0.490 -7.323 -2.790 1.00 21.30 C ATOM 339 C THR A 22 -0.780 -8.144 -2.598 1.00 34.32 C ATOM 340 O THR A 22 -1.323 -8.700 -3.553 1.00 43.43 O ATOM 341 CB THR A 22 1.710 -8.262 -2.714 1.00 55.13 C ATOM 342 OG1 THR A 22 2.886 -7.511 -2.393 1.00 11.12 O ATOM 343 CG2 THR A 22 1.913 -8.992 -4.034 1.00 22.33 C ATOM 0 H THR A 22 1.435 -6.264 -1.248 1.00 21.54 H new ATOM 0 HA THR A 22 0.467 -6.847 -3.770 1.00 21.30 H new ATOM 0 HB THR A 22 1.526 -9.000 -1.933 1.00 55.13 H new ATOM 0 HG1 THR A 22 2.914 -7.343 -1.428 1.00 11.12 H new ATOM 0 HG21 THR A 22 2.779 -9.649 -3.957 1.00 22.33 H new ATOM 0 HG22 THR A 22 1.027 -9.585 -4.262 1.00 22.33 H new ATOM 0 HG23 THR A 22 2.078 -8.266 -4.830 1.00 22.33 H new ATOM 351 N ASP A 23 -1.251 -8.215 -1.358 1.00 1.42 N ATOM 352 CA ASP A 23 -2.459 -8.966 -1.040 1.00 75.35 C ATOM 353 C ASP A 23 -3.662 -8.400 -1.788 1.00 34.35 C ATOM 354 O ASP A 23 -4.175 -9.020 -2.721 1.00 72.44 O ATOM 355 CB ASP A 23 -2.721 -8.940 0.467 1.00 73.24 C ATOM 356 CG ASP A 23 -3.889 -9.821 0.866 1.00 22.41 C ATOM 357 OD1 ASP A 23 -3.718 -11.058 0.888 1.00 40.11 O ATOM 358 OD2 ASP A 23 -4.973 -9.274 1.157 1.00 2.14 O ATOM 0 H ASP A 23 -0.814 -7.761 -0.556 1.00 1.42 H new ATOM 0 HA ASP A 23 -2.309 -9.998 -1.356 1.00 75.35 H new ATOM 0 HB2 ASP A 23 -1.825 -9.268 0.994 1.00 73.24 H new ATOM 0 HB3 ASP A 23 -2.919 -7.915 0.781 1.00 73.24 H new ATOM 363 N LEU A 24 -4.112 -7.221 -1.371 1.00 44.25 N ATOM 364 CA LEU A 24 -5.256 -6.571 -2.001 1.00 65.53 C ATOM 365 C LEU A 24 -5.104 -6.552 -3.519 1.00 21.10 C ATOM 366 O LEU A 24 -6.047 -6.854 -4.252 1.00 4.03 O ATOM 367 CB LEU A 24 -5.410 -5.144 -1.474 1.00 30.33 C ATOM 368 CG LEU A 24 -5.751 -5.009 0.011 1.00 75.35 C ATOM 369 CD1 LEU A 24 -6.092 -3.568 0.351 1.00 14.41 C ATOM 370 CD2 LEU A 24 -6.904 -5.933 0.379 1.00 63.02 C ATOM 0 H LEU A 24 -3.702 -6.696 -0.599 1.00 44.25 H new ATOM 0 HA LEU A 24 -6.150 -7.142 -1.752 1.00 65.53 H new ATOM 0 HB2 LEU A 24 -4.481 -4.606 -1.663 1.00 30.33 H new ATOM 0 HB3 LEU A 24 -6.189 -4.647 -2.052 1.00 30.33 H new ATOM 0 HG LEU A 24 -4.877 -5.301 0.593 1.00 75.35 H new ATOM 0 HD11 LEU A 24 -6.332 -3.491 1.412 1.00 14.41 H new ATOM 0 HD12 LEU A 24 -5.238 -2.929 0.125 1.00 14.41 H new ATOM 0 HD13 LEU A 24 -6.951 -3.248 -0.239 1.00 14.41 H new ATOM 0 HD21 LEU A 24 -7.133 -5.824 1.439 1.00 63.02 H new ATOM 0 HD22 LEU A 24 -7.782 -5.672 -0.211 1.00 63.02 H new ATOM 0 HD23 LEU A 24 -6.623 -6.966 0.173 1.00 63.02 H new ATOM 382 N LEU A 25 -3.911 -6.198 -3.984 1.00 35.24 N ATOM 383 CA LEU A 25 -3.635 -6.141 -5.415 1.00 62.43 C ATOM 384 C LEU A 25 -3.940 -7.479 -6.082 1.00 2.23 C ATOM 385 O LEU A 25 -4.624 -7.532 -7.104 1.00 23.22 O ATOM 386 CB LEU A 25 -2.173 -5.759 -5.657 1.00 71.21 C ATOM 387 CG LEU A 25 -1.897 -4.274 -5.889 1.00 11.31 C ATOM 388 CD1 LEU A 25 -2.510 -3.437 -4.777 1.00 34.24 C ATOM 389 CD2 LEU A 25 -0.401 -4.018 -5.988 1.00 44.53 C ATOM 0 H LEU A 25 -3.120 -5.946 -3.391 1.00 35.24 H new ATOM 0 HA LEU A 25 -4.281 -5.381 -5.855 1.00 62.43 H new ATOM 0 HB2 LEU A 25 -1.586 -6.087 -4.799 1.00 71.21 H new ATOM 0 HB3 LEU A 25 -1.812 -6.315 -6.522 1.00 71.21 H new ATOM 0 HG LEU A 25 -2.358 -3.982 -6.832 1.00 11.31 H new ATOM 0 HD11 LEU A 25 -2.303 -2.382 -4.959 1.00 34.24 H new ATOM 0 HD12 LEU A 25 -3.588 -3.597 -4.754 1.00 34.24 H new ATOM 0 HD13 LEU A 25 -2.079 -3.731 -3.820 1.00 34.24 H new ATOM 0 HD21 LEU A 25 -0.224 -2.955 -6.153 1.00 44.53 H new ATOM 0 HD22 LEU A 25 0.083 -4.327 -5.062 1.00 44.53 H new ATOM 0 HD23 LEU A 25 0.011 -4.588 -6.820 1.00 44.53 H new ATOM 401 N ASP A 26 -3.430 -8.556 -5.496 1.00 64.35 N ATOM 402 CA ASP A 26 -3.651 -9.894 -6.031 1.00 41.24 C ATOM 403 C ASP A 26 -5.134 -10.247 -6.019 1.00 31.55 C ATOM 404 O ASP A 26 -5.685 -10.698 -7.023 1.00 23.04 O ATOM 405 CB ASP A 26 -2.861 -10.926 -5.224 1.00 50.21 C ATOM 406 CG ASP A 26 -2.658 -12.223 -5.983 1.00 33.55 C ATOM 407 OD1 ASP A 26 -2.506 -12.168 -7.221 1.00 31.10 O ATOM 408 OD2 ASP A 26 -2.654 -13.293 -5.338 1.00 71.54 O ATOM 0 H ASP A 26 -2.861 -8.529 -4.650 1.00 64.35 H new ATOM 0 HA ASP A 26 -3.302 -9.907 -7.064 1.00 41.24 H new ATOM 0 HB2 ASP A 26 -1.890 -10.509 -4.958 1.00 50.21 H new ATOM 0 HB3 ASP A 26 -3.386 -11.133 -4.291 1.00 50.21 H new ATOM 413 N ASP A 27 -5.777 -10.040 -4.874 1.00 42.22 N ATOM 414 CA ASP A 27 -7.198 -10.335 -4.730 1.00 65.30 C ATOM 415 C ASP A 27 -8.027 -9.503 -5.702 1.00 74.43 C ATOM 416 O ASP A 27 -9.096 -9.928 -6.143 1.00 72.23 O ATOM 417 CB ASP A 27 -7.652 -10.068 -3.294 1.00 14.24 C ATOM 418 CG ASP A 27 -8.855 -10.903 -2.903 1.00 75.24 C ATOM 419 OD1 ASP A 27 -9.364 -11.651 -3.764 1.00 10.30 O ATOM 420 OD2 ASP A 27 -9.288 -10.810 -1.736 1.00 10.04 O ATOM 0 H ASP A 27 -5.336 -9.669 -4.032 1.00 42.22 H new ATOM 0 HA ASP A 27 -7.351 -11.389 -4.961 1.00 65.30 H new ATOM 0 HB2 ASP A 27 -6.829 -10.279 -2.611 1.00 14.24 H new ATOM 0 HB3 ASP A 27 -7.895 -9.011 -3.183 1.00 14.24 H new ATOM 425 N LEU A 28 -7.529 -8.318 -6.033 1.00 41.33 N ATOM 426 CA LEU A 28 -8.224 -7.425 -6.954 1.00 33.22 C ATOM 427 C LEU A 28 -8.048 -7.886 -8.397 1.00 33.12 C ATOM 428 O LEU A 28 -8.808 -7.495 -9.283 1.00 14.20 O ATOM 429 CB LEU A 28 -7.707 -5.994 -6.797 1.00 23.33 C ATOM 430 CG LEU A 28 -8.236 -5.218 -5.590 1.00 42.15 C ATOM 431 CD1 LEU A 28 -7.538 -3.872 -5.474 1.00 15.33 C ATOM 432 CD2 LEU A 28 -9.743 -5.033 -5.694 1.00 54.41 C ATOM 0 H LEU A 28 -6.646 -7.952 -5.677 1.00 41.33 H new ATOM 0 HA LEU A 28 -9.286 -7.449 -6.711 1.00 33.22 H new ATOM 0 HB2 LEU A 28 -6.619 -6.027 -6.734 1.00 23.33 H new ATOM 0 HB3 LEU A 28 -7.958 -5.437 -7.700 1.00 23.33 H new ATOM 0 HG LEU A 28 -8.022 -5.794 -4.689 1.00 42.15 H new ATOM 0 HD11 LEU A 28 -7.927 -3.334 -4.610 1.00 15.33 H new ATOM 0 HD12 LEU A 28 -6.466 -4.027 -5.352 1.00 15.33 H new ATOM 0 HD13 LEU A 28 -7.720 -3.289 -6.377 1.00 15.33 H new ATOM 0 HD21 LEU A 28 -10.102 -4.479 -4.827 1.00 54.41 H new ATOM 0 HD22 LEU A 28 -9.980 -4.479 -6.602 1.00 54.41 H new ATOM 0 HD23 LEU A 28 -10.228 -6.009 -5.727 1.00 54.41 H new ATOM 552 N SER A 36 -9.246 1.637 -10.843 1.00 32.01 N ATOM 553 CA SER A 36 -8.343 2.773 -10.986 1.00 73.41 C ATOM 554 C SER A 36 -7.635 3.073 -9.668 1.00 14.03 C ATOM 555 O SER A 36 -6.506 3.565 -9.655 1.00 0.31 O ATOM 556 CB SER A 36 -9.115 4.008 -11.457 1.00 61.31 C ATOM 557 OG SER A 36 -9.932 3.703 -12.573 1.00 34.32 O ATOM 0 HA SER A 36 -7.591 2.517 -11.732 1.00 73.41 H new ATOM 0 HB2 SER A 36 -9.733 4.387 -10.643 1.00 61.31 H new ATOM 0 HB3 SER A 36 -8.414 4.800 -11.721 1.00 61.31 H new ATOM 0 HG SER A 36 -10.277 2.790 -12.486 1.00 34.32 H new ATOM 563 N LEU A 37 -8.307 2.775 -8.561 1.00 71.24 N ATOM 564 CA LEU A 37 -7.744 3.012 -7.237 1.00 44.11 C ATOM 565 C LEU A 37 -6.412 2.285 -7.073 1.00 54.32 C ATOM 566 O LEU A 37 -5.499 2.780 -6.411 1.00 55.33 O ATOM 567 CB LEU A 37 -8.724 2.554 -6.155 1.00 51.35 C ATOM 568 CG LEU A 37 -8.796 3.427 -4.902 1.00 40.44 C ATOM 569 CD1 LEU A 37 -7.404 3.671 -4.340 1.00 22.44 C ATOM 570 CD2 LEU A 37 -9.486 4.748 -5.211 1.00 45.55 C ATOM 0 H LEU A 37 -9.243 2.369 -8.555 1.00 71.24 H new ATOM 0 HA LEU A 37 -7.568 4.082 -7.130 1.00 44.11 H new ATOM 0 HB2 LEU A 37 -9.720 2.501 -6.594 1.00 51.35 H new ATOM 0 HB3 LEU A 37 -8.454 1.542 -5.853 1.00 51.35 H new ATOM 0 HG LEU A 37 -9.383 2.900 -4.149 1.00 40.44 H new ATOM 0 HD11 LEU A 37 -7.476 4.294 -3.449 1.00 22.44 H new ATOM 0 HD12 LEU A 37 -6.944 2.717 -4.080 1.00 22.44 H new ATOM 0 HD13 LEU A 37 -6.793 4.176 -5.088 1.00 22.44 H new ATOM 0 HD21 LEU A 37 -9.528 5.356 -4.308 1.00 45.55 H new ATOM 0 HD22 LEU A 37 -8.926 5.280 -5.981 1.00 45.55 H new ATOM 0 HD23 LEU A 37 -10.498 4.555 -5.566 1.00 45.55 H new ATOM 582 N LYS A 38 -6.308 1.110 -7.683 1.00 65.25 N ATOM 583 CA LYS A 38 -5.086 0.316 -7.609 1.00 34.41 C ATOM 584 C LYS A 38 -3.869 1.152 -7.988 1.00 63.11 C ATOM 585 O LYS A 38 -2.752 0.876 -7.551 1.00 20.25 O ATOM 586 CB LYS A 38 -5.189 -0.902 -8.530 1.00 34.31 C ATOM 587 CG LYS A 38 -5.947 -2.067 -7.917 1.00 34.21 C ATOM 588 CD LYS A 38 -6.522 -2.983 -8.985 1.00 45.11 C ATOM 589 CE LYS A 38 -5.432 -3.801 -9.662 1.00 4.01 C ATOM 590 NZ LYS A 38 -4.806 -4.773 -8.725 1.00 24.42 N ATOM 0 H LYS A 38 -7.054 0.686 -8.234 1.00 65.25 H new ATOM 0 HA LYS A 38 -4.965 -0.023 -6.580 1.00 34.41 H new ATOM 0 HB2 LYS A 38 -5.682 -0.606 -9.456 1.00 34.31 H new ATOM 0 HB3 LYS A 38 -4.185 -1.232 -8.795 1.00 34.31 H new ATOM 0 HG2 LYS A 38 -5.280 -2.636 -7.269 1.00 34.21 H new ATOM 0 HG3 LYS A 38 -6.753 -1.688 -7.289 1.00 34.21 H new ATOM 0 HD2 LYS A 38 -7.255 -3.653 -8.536 1.00 45.11 H new ATOM 0 HD3 LYS A 38 -7.049 -2.388 -9.731 1.00 45.11 H new ATOM 0 HE2 LYS A 38 -5.855 -4.337 -10.512 1.00 4.01 H new ATOM 0 HE3 LYS A 38 -4.667 -3.132 -10.056 1.00 4.01 H new ATOM 0 HZ1 LYS A 38 -3.792 -4.561 -8.631 1.00 24.42 H new ATOM 0 HZ2 LYS A 38 -5.263 -4.701 -7.793 1.00 24.42 H new ATOM 0 HZ3 LYS A 38 -4.925 -5.738 -9.095 1.00 24.42 H new ATOM 604 N LYS A 39 -4.092 2.177 -8.804 1.00 41.22 N ATOM 605 CA LYS A 39 -3.015 3.056 -9.240 1.00 45.45 C ATOM 606 C LYS A 39 -2.234 3.595 -8.045 1.00 53.30 C ATOM 607 O LYS A 39 -1.018 3.773 -8.115 1.00 15.04 O ATOM 608 CB LYS A 39 -3.578 4.218 -10.061 1.00 42.44 C ATOM 609 CG LYS A 39 -4.170 5.332 -9.213 1.00 44.34 C ATOM 610 CD LYS A 39 -4.666 6.482 -10.073 1.00 12.51 C ATOM 611 CE LYS A 39 -5.829 6.056 -10.956 1.00 52.12 C ATOM 612 NZ LYS A 39 -6.282 7.160 -11.848 1.00 11.23 N ATOM 0 H LYS A 39 -5.010 2.419 -9.177 1.00 41.22 H new ATOM 0 HA LYS A 39 -2.335 2.475 -9.863 1.00 45.45 H new ATOM 0 HB2 LYS A 39 -2.784 4.630 -10.684 1.00 42.44 H new ATOM 0 HB3 LYS A 39 -4.346 3.838 -10.734 1.00 42.44 H new ATOM 0 HG2 LYS A 39 -4.995 4.939 -8.618 1.00 44.34 H new ATOM 0 HG3 LYS A 39 -3.418 5.697 -8.514 1.00 44.34 H new ATOM 0 HD2 LYS A 39 -4.977 7.308 -9.434 1.00 12.51 H new ATOM 0 HD3 LYS A 39 -3.851 6.850 -10.696 1.00 12.51 H new ATOM 0 HE2 LYS A 39 -5.531 5.200 -11.561 1.00 52.12 H new ATOM 0 HE3 LYS A 39 -6.660 5.731 -10.330 1.00 52.12 H new ATOM 0 HZ1 LYS A 39 -7.076 6.830 -12.433 1.00 11.23 H new ATOM 0 HZ2 LYS A 39 -6.590 7.968 -11.271 1.00 11.23 H new ATOM 0 HZ3 LYS A 39 -5.497 7.454 -12.463 1.00 11.23 H new ATOM 626 N VAL A 40 -2.942 3.853 -6.950 1.00 10.00 N ATOM 627 CA VAL A 40 -2.315 4.369 -5.738 1.00 53.14 C ATOM 628 C VAL A 40 -1.413 3.321 -5.098 1.00 22.03 C ATOM 629 O VAL A 40 -0.190 3.470 -5.074 1.00 24.13 O ATOM 630 CB VAL A 40 -3.368 4.821 -4.711 1.00 15.43 C ATOM 631 CG1 VAL A 40 -2.720 5.078 -3.359 1.00 34.32 C ATOM 632 CG2 VAL A 40 -4.097 6.062 -5.205 1.00 53.53 C ATOM 0 H VAL A 40 -3.950 3.713 -6.877 1.00 10.00 H new ATOM 0 HA VAL A 40 -1.714 5.229 -6.033 1.00 53.14 H new ATOM 0 HB VAL A 40 -4.099 4.021 -4.591 1.00 15.43 H new ATOM 0 HG11 VAL A 40 -3.480 5.397 -2.646 1.00 34.32 H new ATOM 0 HG12 VAL A 40 -2.248 4.163 -3.002 1.00 34.32 H new ATOM 0 HG13 VAL A 40 -1.966 5.859 -3.459 1.00 34.32 H new ATOM 0 HG21 VAL A 40 -4.838 6.367 -4.466 1.00 53.53 H new ATOM 0 HG22 VAL A 40 -3.380 6.869 -5.355 1.00 53.53 H new ATOM 0 HG23 VAL A 40 -4.596 5.840 -6.148 1.00 53.53 H new ATOM 642 N LEU A 41 -2.022 2.261 -4.579 1.00 30.04 N ATOM 643 CA LEU A 41 -1.274 1.186 -3.937 1.00 20.41 C ATOM 644 C LEU A 41 -0.157 0.681 -4.847 1.00 34.35 C ATOM 645 O LEU A 41 0.983 0.522 -4.414 1.00 50.41 O ATOM 646 CB LEU A 41 -2.211 0.034 -3.572 1.00 62.51 C ATOM 647 CG LEU A 41 -3.451 0.408 -2.761 1.00 31.23 C ATOM 648 CD1 LEU A 41 -4.626 -0.480 -3.141 1.00 65.13 C ATOM 649 CD2 LEU A 41 -3.164 0.305 -1.270 1.00 35.33 C ATOM 0 H LEU A 41 -3.033 2.123 -4.590 1.00 30.04 H new ATOM 0 HA LEU A 41 -0.824 1.582 -3.027 1.00 20.41 H new ATOM 0 HB2 LEU A 41 -2.536 -0.449 -4.493 1.00 62.51 H new ATOM 0 HB3 LEU A 41 -1.642 -0.705 -3.008 1.00 62.51 H new ATOM 0 HG LEU A 41 -3.713 1.441 -2.991 1.00 31.23 H new ATOM 0 HD11 LEU A 41 -5.500 -0.199 -2.553 1.00 65.13 H new ATOM 0 HD12 LEU A 41 -4.847 -0.357 -4.201 1.00 65.13 H new ATOM 0 HD13 LEU A 41 -4.374 -1.522 -2.941 1.00 65.13 H new ATOM 0 HD21 LEU A 41 -4.058 0.575 -0.708 1.00 35.33 H new ATOM 0 HD22 LEU A 41 -2.876 -0.717 -1.025 1.00 35.33 H new ATOM 0 HD23 LEU A 41 -2.352 0.983 -1.008 1.00 35.33 H new ATOM 661 N GLU A 42 -0.496 0.434 -6.108 1.00 41.12 N ATOM 662 CA GLU A 42 0.479 -0.051 -7.078 1.00 63.41 C ATOM 663 C GLU A 42 1.657 0.913 -7.195 1.00 2.00 C ATOM 664 O GLU A 42 2.799 0.551 -6.915 1.00 21.32 O ATOM 665 CB GLU A 42 -0.180 -0.238 -8.446 1.00 44.25 C ATOM 666 CG GLU A 42 -1.091 -1.450 -8.523 1.00 33.22 C ATOM 667 CD GLU A 42 -0.864 -2.273 -9.777 1.00 35.03 C ATOM 668 OE1 GLU A 42 -1.376 -1.880 -10.846 1.00 2.24 O ATOM 669 OE2 GLU A 42 -0.174 -3.310 -9.687 1.00 11.20 O ATOM 0 H GLU A 42 -1.437 0.561 -6.482 1.00 41.12 H new ATOM 0 HA GLU A 42 0.854 -1.013 -6.729 1.00 63.41 H new ATOM 0 HB2 GLU A 42 -0.757 0.655 -8.687 1.00 44.25 H new ATOM 0 HB3 GLU A 42 0.597 -0.330 -9.205 1.00 44.25 H new ATOM 0 HG2 GLU A 42 -0.929 -2.078 -7.647 1.00 33.22 H new ATOM 0 HG3 GLU A 42 -2.130 -1.121 -8.492 1.00 33.22 H new ATOM 676 N ASN A 43 1.369 2.142 -7.611 1.00 32.33 N ATOM 677 CA ASN A 43 2.403 3.158 -7.765 1.00 52.54 C ATOM 678 C ASN A 43 3.265 3.253 -6.510 1.00 45.55 C ATOM 679 O ASN A 43 4.470 3.005 -6.552 1.00 4.13 O ATOM 680 CB ASN A 43 1.770 4.518 -8.067 1.00 63.33 C ATOM 681 CG ASN A 43 2.795 5.553 -8.490 1.00 65.53 C ATOM 682 OD1 ASN A 43 3.938 5.217 -8.806 1.00 33.15 O ATOM 683 ND2 ASN A 43 2.392 6.817 -8.498 1.00 73.22 N ATOM 0 H ASN A 43 0.428 2.458 -7.847 1.00 32.33 H new ATOM 0 HA ASN A 43 3.040 2.868 -8.600 1.00 52.54 H new ATOM 0 HB2 ASN A 43 1.027 4.403 -8.857 1.00 63.33 H new ATOM 0 HB3 ASN A 43 1.242 4.874 -7.182 1.00 63.33 H new ATOM 0 HD21 ASN A 43 3.038 7.557 -8.774 1.00 73.22 H new ATOM 0 HD22 ASN A 43 1.436 7.049 -8.229 1.00 73.22 H new ATOM 690 N TYR A 44 2.639 3.613 -5.395 1.00 43.54 N ATOM 691 CA TYR A 44 3.349 3.742 -4.128 1.00 55.33 C ATOM 692 C TYR A 44 4.164 2.488 -3.830 1.00 33.04 C ATOM 693 O TYR A 44 5.324 2.569 -3.423 1.00 12.42 O ATOM 694 CB TYR A 44 2.361 4.006 -2.991 1.00 74.52 C ATOM 695 CG TYR A 44 1.940 5.453 -2.877 1.00 2.44 C ATOM 696 CD1 TYR A 44 2.883 6.460 -2.712 1.00 72.23 C ATOM 697 CD2 TYR A 44 0.599 5.813 -2.933 1.00 10.31 C ATOM 698 CE1 TYR A 44 2.503 7.784 -2.607 1.00 31.15 C ATOM 699 CE2 TYR A 44 0.210 7.136 -2.829 1.00 61.32 C ATOM 700 CZ TYR A 44 1.165 8.116 -2.665 1.00 41.43 C ATOM 701 OH TYR A 44 0.783 9.434 -2.561 1.00 0.40 O ATOM 0 H TYR A 44 1.642 3.821 -5.343 1.00 43.54 H new ATOM 0 HA TYR A 44 4.034 4.586 -4.208 1.00 55.33 H new ATOM 0 HB2 TYR A 44 1.475 3.389 -3.141 1.00 74.52 H new ATOM 0 HB3 TYR A 44 2.812 3.692 -2.049 1.00 74.52 H new ATOM 0 HD1 TYR A 44 3.931 6.203 -2.665 1.00 72.23 H new ATOM 0 HD2 TYR A 44 -0.152 5.047 -3.060 1.00 10.31 H new ATOM 0 HE1 TYR A 44 3.249 8.555 -2.480 1.00 31.15 H new ATOM 0 HE2 TYR A 44 -0.836 7.400 -2.876 1.00 61.32 H new ATOM 0 HH TYR A 44 -0.104 9.550 -2.961 1.00 0.40 H new ATOM 711 N LEU A 45 3.549 1.328 -4.034 1.00 41.44 N ATOM 712 CA LEU A 45 4.216 0.054 -3.788 1.00 53.41 C ATOM 713 C LEU A 45 5.525 -0.034 -4.566 1.00 54.43 C ATOM 714 O LEU A 45 6.497 -0.625 -4.098 1.00 50.32 O ATOM 715 CB LEU A 45 3.300 -1.106 -4.176 1.00 31.41 C ATOM 716 CG LEU A 45 3.935 -2.497 -4.158 1.00 73.13 C ATOM 717 CD1 LEU A 45 4.128 -2.977 -2.728 1.00 63.12 C ATOM 718 CD2 LEU A 45 3.081 -3.483 -4.942 1.00 63.42 C ATOM 0 H LEU A 45 2.589 1.243 -4.369 1.00 41.44 H new ATOM 0 HA LEU A 45 4.442 -0.010 -2.724 1.00 53.41 H new ATOM 0 HB2 LEU A 45 2.445 -1.110 -3.500 1.00 31.41 H new ATOM 0 HB3 LEU A 45 2.913 -0.918 -5.178 1.00 31.41 H new ATOM 0 HG LEU A 45 4.913 -2.435 -4.634 1.00 73.13 H new ATOM 0 HD11 LEU A 45 4.581 -3.968 -2.735 1.00 63.12 H new ATOM 0 HD12 LEU A 45 4.780 -2.284 -2.196 1.00 63.12 H new ATOM 0 HD13 LEU A 45 3.162 -3.023 -2.226 1.00 63.12 H new ATOM 0 HD21 LEU A 45 3.548 -4.468 -4.919 1.00 63.42 H new ATOM 0 HD22 LEU A 45 2.089 -3.541 -4.494 1.00 63.42 H new ATOM 0 HD23 LEU A 45 2.994 -3.147 -5.975 1.00 63.42 H new ATOM 730 N GLU A 46 5.542 0.559 -5.756 1.00 13.13 N ATOM 731 CA GLU A 46 6.731 0.548 -6.598 1.00 43.21 C ATOM 732 C GLU A 46 7.774 1.535 -6.081 1.00 23.14 C ATOM 733 O GLU A 46 8.964 1.404 -6.367 1.00 55.11 O ATOM 734 CB GLU A 46 6.365 0.889 -8.044 1.00 14.12 C ATOM 735 CG GLU A 46 6.599 -0.253 -9.018 1.00 3.12 C ATOM 736 CD GLU A 46 5.663 -1.421 -8.783 1.00 70.55 C ATOM 737 OE1 GLU A 46 6.003 -2.300 -7.963 1.00 51.00 O ATOM 738 OE2 GLU A 46 4.589 -1.458 -9.420 1.00 51.01 O ATOM 0 H GLU A 46 4.745 1.053 -6.158 1.00 13.13 H new ATOM 0 HA GLU A 46 7.156 -0.455 -6.566 1.00 43.21 H new ATOM 0 HB2 GLU A 46 5.316 1.181 -8.085 1.00 14.12 H new ATOM 0 HB3 GLU A 46 6.948 1.753 -8.363 1.00 14.12 H new ATOM 0 HG2 GLU A 46 6.470 0.112 -10.037 1.00 3.12 H new ATOM 0 HG3 GLU A 46 7.630 -0.595 -8.930 1.00 3.12 H new ATOM 745 N GLU A 47 7.318 2.522 -5.316 1.00 74.12 N ATOM 746 CA GLU A 47 8.210 3.532 -4.759 1.00 51.13 C ATOM 747 C GLU A 47 9.167 2.913 -3.744 1.00 72.24 C ATOM 748 O GLU A 47 10.386 2.986 -3.899 1.00 64.33 O ATOM 749 CB GLU A 47 7.402 4.651 -4.099 1.00 21.24 C ATOM 750 CG GLU A 47 6.381 5.291 -5.023 1.00 13.40 C ATOM 751 CD GLU A 47 6.994 6.336 -5.935 1.00 43.12 C ATOM 752 OE1 GLU A 47 7.615 7.287 -5.415 1.00 23.54 O ATOM 753 OE2 GLU A 47 6.853 6.204 -7.168 1.00 44.33 O ATOM 0 H GLU A 47 6.336 2.644 -5.068 1.00 74.12 H new ATOM 0 HA GLU A 47 8.797 3.952 -5.576 1.00 51.13 H new ATOM 0 HB2 GLU A 47 6.888 4.250 -3.226 1.00 21.24 H new ATOM 0 HB3 GLU A 47 8.087 5.419 -3.741 1.00 21.24 H new ATOM 0 HG2 GLU A 47 5.909 4.517 -5.629 1.00 13.40 H new ATOM 0 HG3 GLU A 47 5.594 5.752 -4.426 1.00 13.40 H new ATOM 760 N LEU A 48 8.605 2.304 -2.707 1.00 33.35 N ATOM 761 CA LEU A 48 9.407 1.672 -1.664 1.00 73.31 C ATOM 762 C LEU A 48 10.483 0.778 -2.272 1.00 33.50 C ATOM 763 O LEU A 48 11.574 0.639 -1.721 1.00 25.20 O ATOM 764 CB LEU A 48 8.512 0.851 -0.733 1.00 3.11 C ATOM 765 CG LEU A 48 7.451 -0.015 -1.411 1.00 54.01 C ATOM 766 CD1 LEU A 48 8.027 -1.374 -1.780 1.00 10.40 C ATOM 767 CD2 LEU A 48 6.237 -0.175 -0.510 1.00 32.45 C ATOM 0 H LEU A 48 7.597 2.234 -2.565 1.00 33.35 H new ATOM 0 HA LEU A 48 9.896 2.458 -1.089 1.00 73.31 H new ATOM 0 HB2 LEU A 48 9.148 0.204 -0.129 1.00 3.11 H new ATOM 0 HB3 LEU A 48 8.010 1.535 -0.048 1.00 3.11 H new ATOM 0 HG LEU A 48 7.134 0.483 -2.327 1.00 54.01 H new ATOM 0 HD11 LEU A 48 7.257 -1.977 -2.262 1.00 10.40 H new ATOM 0 HD12 LEU A 48 8.865 -1.240 -2.465 1.00 10.40 H new ATOM 0 HD13 LEU A 48 8.373 -1.880 -0.878 1.00 10.40 H new ATOM 0 HD21 LEU A 48 5.492 -0.795 -1.010 1.00 32.45 H new ATOM 0 HD22 LEU A 48 6.537 -0.650 0.424 1.00 32.45 H new ATOM 0 HD23 LEU A 48 5.810 0.805 -0.297 1.00 32.45 H new ATOM 779 N LYS A 49 10.167 0.174 -3.414 1.00 1.21 N ATOM 780 CA LYS A 49 11.108 -0.704 -4.100 1.00 14.12 C ATOM 781 C LYS A 49 12.453 -0.013 -4.297 1.00 55.54 C ATOM 782 O LYS A 49 13.504 -0.593 -4.027 1.00 1.42 O ATOM 783 CB LYS A 49 10.539 -1.134 -5.455 1.00 24.21 C ATOM 784 CG LYS A 49 9.178 -1.800 -5.359 1.00 70.23 C ATOM 785 CD LYS A 49 9.239 -3.078 -4.539 1.00 24.02 C ATOM 786 CE LYS A 49 7.876 -3.747 -4.447 1.00 32.30 C ATOM 787 NZ LYS A 49 7.992 -5.203 -4.157 1.00 72.51 N ATOM 0 H LYS A 49 9.267 0.277 -3.883 1.00 1.21 H new ATOM 0 HA LYS A 49 11.262 -1.587 -3.480 1.00 14.12 H new ATOM 0 HB2 LYS A 49 10.462 -0.260 -6.101 1.00 24.21 H new ATOM 0 HB3 LYS A 49 11.238 -1.822 -5.931 1.00 24.21 H new ATOM 0 HG2 LYS A 49 8.465 -1.110 -4.907 1.00 70.23 H new ATOM 0 HG3 LYS A 49 8.811 -2.026 -6.360 1.00 70.23 H new ATOM 0 HD2 LYS A 49 9.954 -3.767 -4.989 1.00 24.02 H new ATOM 0 HD3 LYS A 49 9.603 -2.851 -3.537 1.00 24.02 H new ATOM 0 HE2 LYS A 49 7.288 -3.267 -3.665 1.00 32.30 H new ATOM 0 HE3 LYS A 49 7.338 -3.605 -5.384 1.00 32.30 H new ATOM 0 HZ1 LYS A 49 7.055 -5.585 -3.918 1.00 72.51 H new ATOM 0 HZ2 LYS A 49 8.364 -5.695 -4.994 1.00 72.51 H new ATOM 0 HZ3 LYS A 49 8.639 -5.347 -3.355 1.00 72.51 H new ATOM 801 N GLN A 50 12.411 1.229 -4.770 1.00 30.03 N ATOM 802 CA GLN A 50 13.628 1.998 -5.002 1.00 52.04 C ATOM 803 C GLN A 50 14.217 2.496 -3.687 1.00 15.15 C ATOM 804 O GLN A 50 13.564 2.449 -2.644 1.00 72.41 O ATOM 805 CB GLN A 50 13.339 3.182 -5.926 1.00 14.41 C ATOM 806 CG GLN A 50 12.477 2.823 -7.126 1.00 24.53 C ATOM 807 CD GLN A 50 13.172 1.869 -8.078 1.00 63.43 C ATOM 808 OE1 GLN A 50 14.386 1.938 -8.268 1.00 23.52 O ATOM 809 NE2 GLN A 50 12.403 0.971 -8.682 1.00 33.32 N ATOM 0 H GLN A 50 11.549 1.723 -5.000 1.00 30.03 H new ATOM 0 HA GLN A 50 14.356 1.342 -5.479 1.00 52.04 H new ATOM 0 HB2 GLN A 50 12.842 3.965 -5.354 1.00 14.41 H new ATOM 0 HB3 GLN A 50 14.284 3.596 -6.279 1.00 14.41 H new ATOM 0 HG2 GLN A 50 11.548 2.371 -6.779 1.00 24.53 H new ATOM 0 HG3 GLN A 50 12.209 3.734 -7.661 1.00 24.53 H new ATOM 0 HE21 GLN A 50 11.401 0.950 -8.495 1.00 33.32 H new ATOM 0 HE22 GLN A 50 12.815 0.302 -9.333 1.00 33.32 H new ATOM 818 N LYS A 51 15.456 2.975 -3.742 1.00 73.13 N ATOM 819 CA LYS A 51 16.133 3.483 -2.556 1.00 2.21 C ATOM 820 C LYS A 51 15.964 4.994 -2.437 1.00 72.52 C ATOM 821 O LYS A 51 16.690 5.654 -1.694 1.00 74.32 O ATOM 822 CB LYS A 51 17.621 3.129 -2.603 1.00 23.00 C ATOM 823 CG LYS A 51 18.315 3.582 -3.876 1.00 32.41 C ATOM 824 CD LYS A 51 19.812 3.331 -3.815 1.00 63.55 C ATOM 825 CE LYS A 51 20.166 1.948 -4.341 1.00 63.42 C ATOM 826 NZ LYS A 51 20.139 0.921 -3.263 1.00 2.43 N ATOM 0 H LYS A 51 16.011 3.022 -4.596 1.00 73.13 H new ATOM 0 HA LYS A 51 15.680 3.015 -1.682 1.00 2.21 H new ATOM 0 HB2 LYS A 51 18.121 3.581 -1.746 1.00 23.00 H new ATOM 0 HB3 LYS A 51 17.732 2.049 -2.503 1.00 23.00 H new ATOM 0 HG2 LYS A 51 17.891 3.054 -4.730 1.00 32.41 H new ATOM 0 HG3 LYS A 51 18.130 4.644 -4.034 1.00 32.41 H new ATOM 0 HD2 LYS A 51 20.333 4.089 -4.400 1.00 63.55 H new ATOM 0 HD3 LYS A 51 20.157 3.430 -2.786 1.00 63.55 H new ATOM 0 HE2 LYS A 51 19.465 1.668 -5.127 1.00 63.42 H new ATOM 0 HE3 LYS A 51 21.158 1.974 -4.793 1.00 63.42 H new ATOM 0 HZ1 LYS A 51 20.813 0.162 -3.490 1.00 2.43 H new ATOM 0 HZ2 LYS A 51 20.403 1.360 -2.358 1.00 2.43 H new ATOM 0 HZ3 LYS A 51 19.181 0.522 -3.187 1.00 2.43 H new ATOM 840 N SER A 52 14.999 5.536 -3.173 1.00 34.10 N ATOM 841 CA SER A 52 14.734 6.970 -3.152 1.00 10.12 C ATOM 842 C SER A 52 13.809 7.335 -1.995 1.00 64.14 C ATOM 843 O SER A 52 14.246 7.892 -0.989 1.00 14.43 O ATOM 844 CB SER A 52 14.112 7.415 -4.477 1.00 4.13 C ATOM 845 OG SER A 52 13.474 8.673 -4.343 1.00 73.53 O ATOM 0 H SER A 52 14.387 5.003 -3.792 1.00 34.10 H new ATOM 0 HA SER A 52 15.683 7.487 -3.013 1.00 10.12 H new ATOM 0 HB2 SER A 52 14.885 7.475 -5.243 1.00 4.13 H new ATOM 0 HB3 SER A 52 13.389 6.671 -4.811 1.00 4.13 H new ATOM 0 HG SER A 52 13.086 8.936 -5.204 1.00 73.53 H new ATOM 851 N ALA A 53 12.528 7.015 -2.146 1.00 42.33 N ATOM 852 CA ALA A 53 11.541 7.307 -1.115 1.00 14.41 C ATOM 853 C ALA A 53 11.686 6.357 0.069 1.00 10.42 C ATOM 854 O ALA A 53 11.879 5.155 -0.108 1.00 61.31 O ATOM 855 CB ALA A 53 10.135 7.223 -1.692 1.00 1.14 C ATOM 0 H ALA A 53 12.150 6.553 -2.973 1.00 42.33 H new ATOM 0 HA ALA A 53 11.716 8.322 -0.757 1.00 14.41 H new ATOM 0 HB1 ALA A 53 9.407 7.443 -0.911 1.00 1.14 H new ATOM 0 HB2 ALA A 53 10.030 7.946 -2.501 1.00 1.14 H new ATOM 0 HB3 ALA A 53 9.960 6.219 -2.078 1.00 1.14 H new ATOM 861 N SER A 54 11.594 6.906 1.276 1.00 25.45 N ATOM 862 CA SER A 54 11.721 6.106 2.490 1.00 52.40 C ATOM 863 C SER A 54 10.452 5.299 2.744 1.00 51.14 C ATOM 864 O SER A 54 9.378 5.636 2.246 1.00 13.50 O ATOM 865 CB SER A 54 12.014 7.009 3.691 1.00 33.33 C ATOM 866 OG SER A 54 13.173 7.793 3.469 1.00 13.11 O ATOM 0 H SER A 54 11.432 7.900 1.440 1.00 25.45 H new ATOM 0 HA SER A 54 12.550 5.412 2.354 1.00 52.40 H new ATOM 0 HB2 SER A 54 11.160 7.661 3.877 1.00 33.33 H new ATOM 0 HB3 SER A 54 12.149 6.399 4.584 1.00 33.33 H new ATOM 0 HG SER A 54 13.337 8.362 4.250 1.00 13.11 H new ATOM 872 N VAL A 55 10.584 4.230 3.522 1.00 73.32 N ATOM 873 CA VAL A 55 9.449 3.373 3.843 1.00 0.24 C ATOM 874 C VAL A 55 8.303 4.181 4.442 1.00 55.42 C ATOM 875 O VAL A 55 7.181 4.184 3.933 1.00 44.21 O ATOM 876 CB VAL A 55 9.848 2.260 4.831 1.00 74.42 C ATOM 877 CG1 VAL A 55 8.668 1.882 5.713 1.00 1.15 C ATOM 878 CG2 VAL A 55 10.373 1.046 4.080 1.00 61.42 C ATOM 0 H VAL A 55 11.466 3.936 3.942 1.00 73.32 H new ATOM 0 HA VAL A 55 9.121 2.919 2.908 1.00 0.24 H new ATOM 0 HB VAL A 55 10.645 2.635 5.473 1.00 74.42 H new ATOM 0 HG11 VAL A 55 8.968 1.095 6.404 1.00 1.15 H new ATOM 0 HG12 VAL A 55 8.341 2.755 6.277 1.00 1.15 H new ATOM 0 HG13 VAL A 55 7.848 1.525 5.090 1.00 1.15 H new ATOM 0 HG21 VAL A 55 10.650 0.269 4.793 1.00 61.42 H new ATOM 0 HG22 VAL A 55 9.598 0.667 3.414 1.00 61.42 H new ATOM 0 HG23 VAL A 55 11.247 1.330 3.495 1.00 61.42 H new ATOM 888 N PRO A 56 8.588 4.884 5.548 1.00 62.53 N ATOM 889 CA PRO A 56 7.594 5.710 6.239 1.00 2.45 C ATOM 890 C PRO A 56 7.209 6.947 5.435 1.00 73.14 C ATOM 891 O PRO A 56 6.265 7.658 5.785 1.00 71.24 O ATOM 892 CB PRO A 56 8.307 6.115 7.532 1.00 64.32 C ATOM 893 CG PRO A 56 9.758 6.044 7.203 1.00 41.22 C ATOM 894 CD PRO A 56 9.903 4.927 6.208 1.00 24.34 C ATOM 0 HA PRO A 56 6.659 5.173 6.401 1.00 2.45 H new ATOM 0 HB2 PRO A 56 8.021 7.119 7.844 1.00 64.32 H new ATOM 0 HB3 PRO A 56 8.053 5.442 8.351 1.00 64.32 H new ATOM 0 HG2 PRO A 56 10.110 6.987 6.785 1.00 41.22 H new ATOM 0 HG3 PRO A 56 10.352 5.850 8.096 1.00 41.22 H new ATOM 0 HD2 PRO A 56 10.704 5.125 5.495 1.00 24.34 H new ATOM 0 HD3 PRO A 56 10.138 3.982 6.697 1.00 24.34 H new ATOM 902 N LEU A 57 7.942 7.198 4.356 1.00 1.12 N ATOM 903 CA LEU A 57 7.676 8.349 3.501 1.00 55.21 C ATOM 904 C LEU A 57 6.553 8.046 2.514 1.00 53.20 C ATOM 905 O LEU A 57 5.726 8.909 2.215 1.00 60.13 O ATOM 906 CB LEU A 57 8.942 8.751 2.743 1.00 42.10 C ATOM 907 CG LEU A 57 9.764 9.882 3.362 1.00 43.13 C ATOM 908 CD1 LEU A 57 11.015 10.146 2.536 1.00 73.01 C ATOM 909 CD2 LEU A 57 8.926 11.146 3.483 1.00 31.02 C ATOM 0 H LEU A 57 8.725 6.620 4.052 1.00 1.12 H new ATOM 0 HA LEU A 57 7.363 9.177 4.137 1.00 55.21 H new ATOM 0 HB2 LEU A 57 9.581 7.873 2.651 1.00 42.10 H new ATOM 0 HB3 LEU A 57 8.658 9.046 1.733 1.00 42.10 H new ATOM 0 HG LEU A 57 10.071 9.577 4.362 1.00 43.13 H new ATOM 0 HD11 LEU A 57 11.588 10.954 2.991 1.00 73.01 H new ATOM 0 HD12 LEU A 57 11.625 9.243 2.501 1.00 73.01 H new ATOM 0 HD13 LEU A 57 10.729 10.430 1.523 1.00 73.01 H new ATOM 0 HD21 LEU A 57 9.527 11.940 3.926 1.00 31.02 H new ATOM 0 HD22 LEU A 57 8.588 11.455 2.494 1.00 31.02 H new ATOM 0 HD23 LEU A 57 8.061 10.950 4.117 1.00 31.02 H new ATOM 921 N ILE A 58 6.529 6.816 2.013 1.00 10.41 N ATOM 922 CA ILE A 58 5.506 6.399 1.062 1.00 75.30 C ATOM 923 C ILE A 58 4.214 6.018 1.777 1.00 14.32 C ATOM 924 O ILE A 58 3.135 6.507 1.437 1.00 1.32 O ATOM 925 CB ILE A 58 5.980 5.205 0.212 1.00 12.03 C ATOM 926 CG1 ILE A 58 7.241 5.578 -0.571 1.00 31.21 C ATOM 927 CG2 ILE A 58 4.876 4.756 -0.732 1.00 73.12 C ATOM 928 CD1 ILE A 58 8.281 4.479 -0.598 1.00 15.41 C ATOM 0 H ILE A 58 7.206 6.091 2.250 1.00 10.41 H new ATOM 0 HA ILE A 58 5.319 7.250 0.406 1.00 75.30 H new ATOM 0 HB ILE A 58 6.221 4.376 0.877 1.00 12.03 H new ATOM 0 HG12 ILE A 58 6.963 5.829 -1.594 1.00 31.21 H new ATOM 0 HG13 ILE A 58 7.681 6.473 -0.131 1.00 31.21 H new ATOM 0 HG21 ILE A 58 5.226 3.912 -1.326 1.00 73.12 H new ATOM 0 HG22 ILE A 58 4.003 4.455 -0.153 1.00 73.12 H new ATOM 0 HG23 ILE A 58 4.607 5.579 -1.394 1.00 73.12 H new ATOM 0 HD11 ILE A 58 9.147 4.812 -1.170 1.00 15.41 H new ATOM 0 HD12 ILE A 58 8.588 4.243 0.421 1.00 15.41 H new ATOM 0 HD13 ILE A 58 7.858 3.589 -1.065 1.00 15.41 H new ATOM 940 N LEU A 59 4.329 5.144 2.770 1.00 33.31 N ATOM 941 CA LEU A 59 3.170 4.698 3.537 1.00 40.34 C ATOM 942 C LEU A 59 2.461 5.880 4.188 1.00 15.45 C ATOM 943 O LEU A 59 1.255 5.836 4.433 1.00 31.15 O ATOM 944 CB LEU A 59 3.597 3.692 4.606 1.00 72.01 C ATOM 945 CG LEU A 59 4.189 2.379 4.094 1.00 34.13 C ATOM 946 CD1 LEU A 59 4.501 1.446 5.254 1.00 20.23 C ATOM 947 CD2 LEU A 59 3.236 1.711 3.113 1.00 2.54 C ATOM 0 H LEU A 59 5.213 4.729 3.064 1.00 33.31 H new ATOM 0 HA LEU A 59 2.475 4.215 2.850 1.00 40.34 H new ATOM 0 HB2 LEU A 59 4.332 4.170 5.254 1.00 72.01 H new ATOM 0 HB3 LEU A 59 2.730 3.460 5.225 1.00 72.01 H new ATOM 0 HG LEU A 59 5.120 2.602 3.572 1.00 34.13 H new ATOM 0 HD11 LEU A 59 4.922 0.516 4.870 1.00 20.23 H new ATOM 0 HD12 LEU A 59 5.220 1.922 5.920 1.00 20.23 H new ATOM 0 HD13 LEU A 59 3.585 1.230 5.804 1.00 20.23 H new ATOM 0 HD21 LEU A 59 3.674 0.778 2.759 1.00 2.54 H new ATOM 0 HD22 LEU A 59 2.289 1.502 3.611 1.00 2.54 H new ATOM 0 HD23 LEU A 59 3.062 2.375 2.266 1.00 2.54 H new ATOM 959 N SER A 60 3.216 6.939 4.464 1.00 3.40 N ATOM 960 CA SER A 60 2.660 8.133 5.089 1.00 55.15 C ATOM 961 C SER A 60 1.662 8.817 4.160 1.00 35.04 C ATOM 962 O SER A 60 0.469 8.891 4.459 1.00 70.11 O ATOM 963 CB SER A 60 3.779 9.109 5.459 1.00 31.45 C ATOM 964 OG SER A 60 4.209 8.908 6.794 1.00 0.45 O ATOM 0 H SER A 60 4.215 6.994 4.264 1.00 3.40 H new ATOM 0 HA SER A 60 2.138 7.829 5.996 1.00 55.15 H new ATOM 0 HB2 SER A 60 4.620 8.977 4.779 1.00 31.45 H new ATOM 0 HB3 SER A 60 3.428 10.134 5.337 1.00 31.45 H new ATOM 0 HG SER A 60 5.053 8.409 6.794 1.00 0.45 H new ATOM 970 N ARG A 61 2.156 9.317 3.032 1.00 65.50 N ATOM 971 CA ARG A 61 1.309 9.995 2.059 1.00 4.52 C ATOM 972 C ARG A 61 0.301 9.027 1.448 1.00 41.42 C ATOM 973 O ARG A 61 -0.817 9.413 1.107 1.00 3.04 O ATOM 974 CB ARG A 61 2.164 10.623 0.956 1.00 21.42 C ATOM 975 CG ARG A 61 2.448 12.100 1.174 1.00 44.25 C ATOM 976 CD ARG A 61 3.661 12.308 2.067 1.00 42.04 C ATOM 977 NE ARG A 61 3.816 13.705 2.463 1.00 11.14 N ATOM 978 CZ ARG A 61 4.713 14.123 3.350 1.00 40.13 C ATOM 979 NH1 ARG A 61 5.532 13.256 3.927 1.00 64.33 N ATOM 980 NH2 ARG A 61 4.792 15.412 3.658 1.00 31.42 N ATOM 0 H ARG A 61 3.140 9.265 2.769 1.00 65.50 H new ATOM 0 HA ARG A 61 0.762 10.783 2.577 1.00 4.52 H new ATOM 0 HB2 ARG A 61 3.110 10.085 0.890 1.00 21.42 H new ATOM 0 HB3 ARG A 61 1.658 10.496 -0.001 1.00 21.42 H new ATOM 0 HG2 ARG A 61 2.615 12.585 0.212 1.00 44.25 H new ATOM 0 HG3 ARG A 61 1.577 12.576 1.624 1.00 44.25 H new ATOM 0 HD2 ARG A 61 3.566 11.687 2.958 1.00 42.04 H new ATOM 0 HD3 ARG A 61 4.558 11.978 1.543 1.00 42.04 H new ATOM 0 HE ARG A 61 3.202 14.398 2.035 1.00 11.14 H new ATOM 0 HH11 ARG A 61 5.475 12.265 3.691 1.00 64.33 H new ATOM 0 HH12 ARG A 61 6.220 13.579 4.607 1.00 64.33 H new ATOM 0 HH21 ARG A 61 4.164 16.082 3.214 1.00 31.42 H new ATOM 0 HH22 ARG A 61 5.481 15.732 4.339 1.00 31.42 H new ATOM 994 N MET A 62 0.705 7.768 1.310 1.00 43.52 N ATOM 995 CA MET A 62 -0.164 6.746 0.739 1.00 62.54 C ATOM 996 C MET A 62 -1.516 6.726 1.444 1.00 30.11 C ATOM 997 O MET A 62 -2.559 6.879 0.810 1.00 62.44 O ATOM 998 CB MET A 62 0.498 5.370 0.841 1.00 50.24 C ATOM 999 CG MET A 62 -0.405 4.228 0.405 1.00 20.31 C ATOM 1000 SD MET A 62 0.394 2.618 0.548 1.00 75.35 S ATOM 1001 CE MET A 62 -0.365 1.994 2.044 1.00 33.54 C ATOM 0 H MET A 62 1.628 7.432 1.586 1.00 43.52 H new ATOM 0 HA MET A 62 -0.326 6.987 -0.312 1.00 62.54 H new ATOM 0 HB2 MET A 62 1.400 5.363 0.229 1.00 50.24 H new ATOM 0 HB3 MET A 62 0.811 5.202 1.871 1.00 50.24 H new ATOM 0 HG2 MET A 62 -1.311 4.235 1.011 1.00 20.31 H new ATOM 0 HG3 MET A 62 -0.712 4.387 -0.629 1.00 20.31 H new ATOM 0 HE1 MET A 62 0.029 1.002 2.265 1.00 33.54 H new ATOM 0 HE2 MET A 62 -0.142 2.666 2.873 1.00 33.54 H new ATOM 0 HE3 MET A 62 -1.445 1.934 1.906 1.00 33.54 H new ATOM 1011 N ASN A 63 -1.490 6.537 2.759 1.00 23.32 N ATOM 1012 CA ASN A 63 -2.715 6.496 3.550 1.00 71.21 C ATOM 1013 C ASN A 63 -3.562 7.741 3.305 1.00 32.20 C ATOM 1014 O ASN A 63 -4.788 7.663 3.213 1.00 40.24 O ATOM 1015 CB ASN A 63 -2.382 6.378 5.039 1.00 64.34 C ATOM 1016 CG ASN A 63 -2.171 4.939 5.471 1.00 61.41 C ATOM 1017 OD1 ASN A 63 -3.033 4.340 6.114 1.00 2.13 O ATOM 1018 ND2 ASN A 63 -1.020 4.378 5.120 1.00 55.54 N ATOM 0 H ASN A 63 -0.634 6.410 3.300 1.00 23.32 H new ATOM 0 HA ASN A 63 -3.288 5.621 3.242 1.00 71.21 H new ATOM 0 HB2 ASN A 63 -1.483 6.955 5.254 1.00 64.34 H new ATOM 0 HB3 ASN A 63 -3.190 6.816 5.625 1.00 64.34 H new ATOM 0 HD21 ASN A 63 -0.822 3.413 5.384 1.00 55.54 H new ATOM 0 HD22 ASN A 63 -0.334 4.912 4.587 1.00 55.54 H new ATOM 1025 N LEU A 64 -2.901 8.888 3.199 1.00 0.02 N ATOM 1026 CA LEU A 64 -3.593 10.151 2.963 1.00 44.21 C ATOM 1027 C LEU A 64 -4.136 10.216 1.540 1.00 15.13 C ATOM 1028 O LEU A 64 -5.066 10.971 1.254 1.00 24.20 O ATOM 1029 CB LEU A 64 -2.648 11.327 3.216 1.00 32.30 C ATOM 1030 CG LEU A 64 -1.863 11.289 4.528 1.00 32.41 C ATOM 1031 CD1 LEU A 64 -0.593 12.116 4.414 1.00 24.04 C ATOM 1032 CD2 LEU A 64 -2.725 11.786 5.680 1.00 51.35 C ATOM 0 H LEU A 64 -1.887 8.970 3.273 1.00 0.02 H new ATOM 0 HA LEU A 64 -4.433 10.213 3.655 1.00 44.21 H new ATOM 0 HB2 LEU A 64 -1.937 11.379 2.392 1.00 32.30 H new ATOM 0 HB3 LEU A 64 -3.231 12.247 3.192 1.00 32.30 H new ATOM 0 HG LEU A 64 -1.582 10.256 4.731 1.00 32.41 H new ATOM 0 HD11 LEU A 64 -0.048 12.077 5.357 1.00 24.04 H new ATOM 0 HD12 LEU A 64 0.032 11.715 3.616 1.00 24.04 H new ATOM 0 HD13 LEU A 64 -0.851 13.150 4.187 1.00 24.04 H new ATOM 0 HD21 LEU A 64 -2.150 11.752 6.606 1.00 51.35 H new ATOM 0 HD22 LEU A 64 -3.038 12.812 5.484 1.00 51.35 H new ATOM 0 HD23 LEU A 64 -3.605 11.151 5.776 1.00 51.35 H new ATOM 1044 N ASP A 65 -3.551 9.421 0.651 1.00 33.21 N ATOM 1045 CA ASP A 65 -3.978 9.385 -0.742 1.00 54.34 C ATOM 1046 C ASP A 65 -5.141 8.416 -0.930 1.00 71.04 C ATOM 1047 O ASP A 65 -6.119 8.729 -1.610 1.00 73.44 O ATOM 1048 CB ASP A 65 -2.812 8.983 -1.645 1.00 55.32 C ATOM 1049 CG ASP A 65 -3.040 9.371 -3.094 1.00 35.13 C ATOM 1050 OD1 ASP A 65 -4.213 9.568 -3.477 1.00 74.14 O ATOM 1051 OD2 ASP A 65 -2.047 9.478 -3.843 1.00 30.40 O ATOM 0 H ASP A 65 -2.779 8.792 0.871 1.00 33.21 H new ATOM 0 HA ASP A 65 -4.314 10.384 -1.019 1.00 54.34 H new ATOM 0 HB2 ASP A 65 -1.898 9.455 -1.285 1.00 55.32 H new ATOM 0 HB3 ASP A 65 -2.661 7.905 -1.580 1.00 55.32 H new ATOM 1056 N ILE A 66 -5.027 7.239 -0.324 1.00 63.14 N ATOM 1057 CA ILE A 66 -6.069 6.224 -0.424 1.00 41.22 C ATOM 1058 C ILE A 66 -7.351 6.682 0.263 1.00 4.13 C ATOM 1059 O ILE A 66 -8.416 6.721 -0.351 1.00 13.13 O ATOM 1060 CB ILE A 66 -5.615 4.889 0.195 1.00 32.42 C ATOM 1061 CG1 ILE A 66 -4.312 4.417 -0.453 1.00 75.42 C ATOM 1062 CG2 ILE A 66 -6.704 3.837 0.039 1.00 5.31 C ATOM 1063 CD1 ILE A 66 -3.731 3.178 0.191 1.00 1.03 C ATOM 0 H ILE A 66 -4.224 6.965 0.241 1.00 63.14 H new ATOM 0 HA ILE A 66 -6.264 6.075 -1.486 1.00 41.22 H new ATOM 0 HB ILE A 66 -5.433 5.041 1.259 1.00 32.42 H new ATOM 0 HG12 ILE A 66 -4.493 4.217 -1.509 1.00 75.42 H new ATOM 0 HG13 ILE A 66 -3.578 5.221 -0.402 1.00 75.42 H new ATOM 0 HG21 ILE A 66 -6.369 2.899 0.481 1.00 5.31 H new ATOM 0 HG22 ILE A 66 -7.610 4.173 0.544 1.00 5.31 H new ATOM 0 HG23 ILE A 66 -6.914 3.685 -1.020 1.00 5.31 H new ATOM 0 HD11 ILE A 66 -2.809 2.901 -0.320 1.00 1.03 H new ATOM 0 HD12 ILE A 66 -3.518 3.379 1.241 1.00 1.03 H new ATOM 0 HD13 ILE A 66 -4.447 2.359 0.116 1.00 1.03 H new ATOM 1075 N SER A 67 -7.238 7.030 1.541 1.00 71.32 N ATOM 1076 CA SER A 67 -8.388 7.484 2.314 1.00 74.52 C ATOM 1077 C SER A 67 -9.159 8.562 1.558 1.00 10.43 C ATOM 1078 O SER A 67 -10.376 8.475 1.397 1.00 74.02 O ATOM 1079 CB SER A 67 -7.936 8.021 3.673 1.00 34.21 C ATOM 1080 OG SER A 67 -9.043 8.461 4.440 1.00 14.24 O ATOM 0 H SER A 67 -6.362 7.006 2.063 1.00 71.32 H new ATOM 0 HA SER A 67 -9.049 6.632 2.471 1.00 74.52 H new ATOM 0 HB2 SER A 67 -7.400 7.242 4.215 1.00 34.21 H new ATOM 0 HB3 SER A 67 -7.239 8.846 3.528 1.00 34.21 H new ATOM 0 HG SER A 67 -8.728 8.798 5.305 1.00 14.24 H new ATOM 1086 N LYS A 68 -8.440 9.580 1.098 1.00 53.30 N ATOM 1087 CA LYS A 68 -9.053 10.677 0.358 1.00 0.11 C ATOM 1088 C LYS A 68 -9.629 10.186 -0.966 1.00 35.32 C ATOM 1089 O LYS A 68 -10.642 10.698 -1.441 1.00 13.14 O ATOM 1090 CB LYS A 68 -8.026 11.783 0.100 1.00 70.42 C ATOM 1091 CG LYS A 68 -7.458 11.768 -1.309 1.00 3.03 C ATOM 1092 CD LYS A 68 -6.291 12.732 -1.449 1.00 14.11 C ATOM 1093 CE LYS A 68 -6.747 14.087 -1.970 1.00 32.33 C ATOM 1094 NZ LYS A 68 -5.599 15.006 -2.203 1.00 61.40 N ATOM 0 H LYS A 68 -7.432 9.668 1.225 1.00 53.30 H new ATOM 0 HA LYS A 68 -9.867 11.078 0.962 1.00 0.11 H new ATOM 0 HB2 LYS A 68 -8.492 12.751 0.285 1.00 70.42 H new ATOM 0 HB3 LYS A 68 -7.208 11.682 0.814 1.00 70.42 H new ATOM 0 HG2 LYS A 68 -7.130 10.759 -1.560 1.00 3.03 H new ATOM 0 HG3 LYS A 68 -8.239 12.035 -2.020 1.00 3.03 H new ATOM 0 HD2 LYS A 68 -5.804 12.858 -0.482 1.00 14.11 H new ATOM 0 HD3 LYS A 68 -5.549 12.311 -2.128 1.00 14.11 H new ATOM 0 HE2 LYS A 68 -7.299 13.952 -2.900 1.00 32.33 H new ATOM 0 HE3 LYS A 68 -7.434 14.539 -1.255 1.00 32.33 H new ATOM 0 HZ1 LYS A 68 -5.951 15.918 -2.557 1.00 61.40 H new ATOM 0 HZ2 LYS A 68 -5.087 15.156 -1.310 1.00 61.40 H new ATOM 0 HZ3 LYS A 68 -4.956 14.587 -2.905 1.00 61.40 H new ATOM 1108 N ALA A 69 -8.979 9.188 -1.555 1.00 45.55 N ATOM 1109 CA ALA A 69 -9.429 8.625 -2.823 1.00 25.24 C ATOM 1110 C ALA A 69 -10.744 7.872 -2.651 1.00 62.33 C ATOM 1111 O ALA A 69 -11.422 7.559 -3.630 1.00 70.04 O ATOM 1112 CB ALA A 69 -8.363 7.707 -3.401 1.00 4.21 C ATOM 0 H ALA A 69 -8.139 8.752 -1.175 1.00 45.55 H new ATOM 0 HA ALA A 69 -9.599 9.447 -3.519 1.00 25.24 H new ATOM 0 HB1 ALA A 69 -8.713 7.294 -4.347 1.00 4.21 H new ATOM 0 HB2 ALA A 69 -7.447 8.273 -3.569 1.00 4.21 H new ATOM 0 HB3 ALA A 69 -8.164 6.895 -2.702 1.00 4.21 H new ATOM 1118 N ILE A 70 -11.096 7.581 -1.404 1.00 14.22 N ATOM 1119 CA ILE A 70 -12.330 6.865 -1.106 1.00 34.43 C ATOM 1120 C ILE A 70 -13.550 7.659 -1.560 1.00 33.24 C ATOM 1121 O ILE A 70 -14.202 7.307 -2.545 1.00 4.35 O ATOM 1122 CB ILE A 70 -12.457 6.564 0.399 1.00 33.04 C ATOM 1123 CG1 ILE A 70 -11.257 5.748 0.881 1.00 22.23 C ATOM 1124 CG2 ILE A 70 -13.757 5.825 0.683 1.00 2.32 C ATOM 1125 CD1 ILE A 70 -11.315 5.400 2.353 1.00 74.41 C ATOM 0 H ILE A 70 -10.544 7.830 -0.583 1.00 14.22 H new ATOM 0 HA ILE A 70 -12.289 5.924 -1.654 1.00 34.43 H new ATOM 0 HB ILE A 70 -12.472 7.508 0.944 1.00 33.04 H new ATOM 0 HG12 ILE A 70 -11.197 4.827 0.300 1.00 22.23 H new ATOM 0 HG13 ILE A 70 -10.344 6.309 0.684 1.00 22.23 H new ATOM 0 HG21 ILE A 70 -13.833 5.619 1.751 1.00 2.32 H new ATOM 0 HG22 ILE A 70 -14.601 6.440 0.371 1.00 2.32 H new ATOM 0 HG23 ILE A 70 -13.770 4.885 0.131 1.00 2.32 H new ATOM 0 HD11 ILE A 70 -10.432 4.821 2.625 1.00 74.41 H new ATOM 0 HD12 ILE A 70 -11.344 6.316 2.943 1.00 74.41 H new ATOM 0 HD13 ILE A 70 -12.211 4.812 2.553 1.00 74.41 H new ATOM 1137 N ARG A 71 -13.854 8.731 -0.836 1.00 53.54 N ATOM 1138 CA ARG A 71 -14.996 9.576 -1.165 1.00 22.31 C ATOM 1139 C ARG A 71 -14.886 10.109 -2.591 1.00 75.42 C ATOM 1140 O ARG A 71 -15.889 10.253 -3.289 1.00 33.04 O ATOM 1141 CB ARG A 71 -15.094 10.742 -0.180 1.00 12.25 C ATOM 1142 CG ARG A 71 -13.822 11.568 -0.084 1.00 53.04 C ATOM 1143 CD ARG A 71 -13.759 12.346 1.221 1.00 21.03 C ATOM 1144 NE ARG A 71 -14.409 13.649 1.114 1.00 31.22 N ATOM 1145 CZ ARG A 71 -14.200 14.647 1.966 1.00 41.01 C ATOM 1146 NH1 ARG A 71 -13.362 14.491 2.981 1.00 2.02 N ATOM 1147 NH2 ARG A 71 -14.829 15.803 1.801 1.00 1.32 N ATOM 0 H ARG A 71 -13.326 9.035 -0.018 1.00 53.54 H new ATOM 0 HA ARG A 71 -15.898 8.969 -1.091 1.00 22.31 H new ATOM 0 HB2 ARG A 71 -15.917 11.391 -0.480 1.00 12.25 H new ATOM 0 HB3 ARG A 71 -15.339 10.352 0.808 1.00 12.25 H new ATOM 0 HG2 ARG A 71 -12.955 10.912 -0.160 1.00 53.04 H new ATOM 0 HG3 ARG A 71 -13.773 12.261 -0.924 1.00 53.04 H new ATOM 0 HD2 ARG A 71 -14.236 11.767 2.012 1.00 21.03 H new ATOM 0 HD3 ARG A 71 -12.717 12.483 1.511 1.00 21.03 H new ATOM 0 HE ARG A 71 -15.059 13.802 0.343 1.00 31.22 H new ATOM 0 HH11 ARG A 71 -12.876 13.603 3.109 1.00 2.02 H new ATOM 0 HH12 ARG A 71 -13.203 15.259 3.634 1.00 2.02 H new ATOM 0 HH21 ARG A 71 -15.473 15.926 1.020 1.00 1.32 H new ATOM 0 HH22 ARG A 71 -14.668 16.569 2.455 1.00 1.32 H new ATOM 1161 N ASN A 72 -13.661 10.398 -3.016 1.00 13.23 N ATOM 1162 CA ASN A 72 -13.421 10.916 -4.358 1.00 44.54 C ATOM 1163 C ASN A 72 -14.020 9.992 -5.413 1.00 62.33 C ATOM 1164 O ASN A 72 -14.889 10.397 -6.186 1.00 60.32 O ATOM 1165 CB ASN A 72 -11.919 11.080 -4.602 1.00 71.01 C ATOM 1166 CG ASN A 72 -11.423 12.467 -4.241 1.00 24.12 C ATOM 1167 OD1 ASN A 72 -10.915 13.198 -5.090 1.00 44.42 O ATOM 1168 ND2 ASN A 72 -11.568 12.835 -2.972 1.00 72.04 N ATOM 0 H ASN A 72 -12.819 10.283 -2.451 1.00 13.23 H new ATOM 0 HA ASN A 72 -13.905 11.890 -4.437 1.00 44.54 H new ATOM 0 HB2 ASN A 72 -11.375 10.339 -4.016 1.00 71.01 H new ATOM 0 HB3 ASN A 72 -11.700 10.880 -5.651 1.00 71.01 H new ATOM 0 HD21 ASN A 72 -11.252 13.756 -2.669 1.00 72.04 H new ATOM 0 HD22 ASN A 72 -11.995 12.196 -2.301 1.00 72.04 H new ATOM 1175 N ASP A 73 -13.552 8.748 -5.438 1.00 11.43 N ATOM 1176 CA ASP A 73 -14.042 7.765 -6.397 1.00 14.35 C ATOM 1177 C ASP A 73 -15.254 7.023 -5.842 1.00 1.13 C ATOM 1178 O ASP A 73 -15.703 6.032 -6.414 1.00 35.41 O ATOM 1179 CB ASP A 73 -12.937 6.770 -6.750 1.00 44.44 C ATOM 1180 CG ASP A 73 -11.673 7.455 -7.233 1.00 74.11 C ATOM 1181 OD1 ASP A 73 -11.723 8.676 -7.494 1.00 31.11 O ATOM 1182 OD2 ASP A 73 -10.635 6.772 -7.350 1.00 33.41 O ATOM 0 H ASP A 73 -12.834 8.397 -4.805 1.00 11.43 H new ATOM 0 HA ASP A 73 -14.344 8.294 -7.300 1.00 14.35 H new ATOM 0 HB2 ASP A 73 -12.706 6.163 -5.875 1.00 44.44 H new ATOM 0 HB3 ASP A 73 -13.297 6.091 -7.523 1.00 44.44 H new ATOM 1187 N GLY A 74 -15.778 7.511 -4.721 1.00 33.21 N ATOM 1188 CA GLY A 74 -16.932 6.880 -4.106 1.00 12.41 C ATOM 1189 C GLY A 74 -16.752 5.385 -3.933 1.00 41.21 C ATOM 1190 O GLY A 74 -17.724 4.629 -3.953 1.00 61.12 O ATOM 0 H GLY A 74 -15.424 8.331 -4.228 1.00 33.21 H new ATOM 0 HA2 GLY A 74 -17.116 7.336 -3.133 1.00 12.41 H new ATOM 0 HA3 GLY A 74 -17.814 7.068 -4.718 1.00 12.41 H new ATOM 1194 N VAL A 75 -15.506 4.956 -3.764 1.00 63.44 N ATOM 1195 CA VAL A 75 -15.201 3.541 -3.588 1.00 31.01 C ATOM 1196 C VAL A 75 -15.409 3.110 -2.141 1.00 5.31 C ATOM 1197 O VAL A 75 -15.433 3.940 -1.231 1.00 62.15 O ATOM 1198 CB VAL A 75 -13.753 3.222 -4.005 1.00 31.42 C ATOM 1199 CG1 VAL A 75 -12.771 3.746 -2.967 1.00 32.21 C ATOM 1200 CG2 VAL A 75 -13.575 1.726 -4.210 1.00 75.34 C ATOM 0 H VAL A 75 -14.690 5.568 -3.745 1.00 63.44 H new ATOM 0 HA VAL A 75 -15.886 2.988 -4.231 1.00 31.01 H new ATOM 0 HB VAL A 75 -13.547 3.722 -4.951 1.00 31.42 H new ATOM 0 HG11 VAL A 75 -11.753 3.512 -3.278 1.00 32.21 H new ATOM 0 HG12 VAL A 75 -12.882 4.826 -2.874 1.00 32.21 H new ATOM 0 HG13 VAL A 75 -12.973 3.276 -2.005 1.00 32.21 H new ATOM 0 HG21 VAL A 75 -12.546 1.519 -4.504 1.00 75.34 H new ATOM 0 HG22 VAL A 75 -13.799 1.202 -3.281 1.00 75.34 H new ATOM 0 HG23 VAL A 75 -14.252 1.383 -4.992 1.00 75.34 H new ATOM 1210 N THR A 76 -15.558 1.806 -1.933 1.00 23.34 N ATOM 1211 CA THR A 76 -15.764 1.264 -0.596 1.00 34.30 C ATOM 1212 C THR A 76 -14.874 0.050 -0.351 1.00 13.41 C ATOM 1213 O THR A 76 -14.950 -0.944 -1.073 1.00 24.21 O ATOM 1214 CB THR A 76 -17.234 0.860 -0.374 1.00 14.01 C ATOM 1215 OG1 THR A 76 -18.094 1.976 -0.633 1.00 2.23 O ATOM 1216 CG2 THR A 76 -17.451 0.366 1.048 1.00 21.34 C ATOM 0 H THR A 76 -15.540 1.105 -2.674 1.00 23.34 H new ATOM 0 HA THR A 76 -15.500 2.053 0.108 1.00 34.30 H new ATOM 0 HB THR A 76 -17.473 0.050 -1.063 1.00 14.01 H new ATOM 0 HG1 THR A 76 -19.027 1.710 -0.491 1.00 2.23 H new ATOM 0 HG21 THR A 76 -18.496 0.087 1.181 1.00 21.34 H new ATOM 0 HG22 THR A 76 -16.817 -0.501 1.232 1.00 21.34 H new ATOM 0 HG23 THR A 76 -17.195 1.158 1.751 1.00 21.34 H new ATOM 1224 N LEU A 77 -14.032 0.139 0.672 1.00 24.21 N ATOM 1225 CA LEU A 77 -13.126 -0.953 1.014 1.00 1.30 C ATOM 1226 C LEU A 77 -13.881 -2.097 1.683 1.00 25.43 C ATOM 1227 O LEU A 77 -14.757 -1.872 2.517 1.00 32.23 O ATOM 1228 CB LEU A 77 -12.015 -0.450 1.938 1.00 12.41 C ATOM 1229 CG LEU A 77 -11.372 0.882 1.552 1.00 11.31 C ATOM 1230 CD1 LEU A 77 -10.297 1.268 2.556 1.00 71.14 C ATOM 1231 CD2 LEU A 77 -10.791 0.807 0.147 1.00 72.31 C ATOM 0 H LEU A 77 -13.957 0.955 1.279 1.00 24.21 H new ATOM 0 HA LEU A 77 -12.681 -1.326 0.091 1.00 1.30 H new ATOM 0 HB2 LEU A 77 -12.422 -0.356 2.945 1.00 12.41 H new ATOM 0 HB3 LEU A 77 -11.234 -1.209 1.980 1.00 12.41 H new ATOM 0 HG LEU A 77 -12.143 1.652 1.564 1.00 11.31 H new ATOM 0 HD11 LEU A 77 -9.851 2.219 2.264 1.00 71.14 H new ATOM 0 HD12 LEU A 77 -10.742 1.365 3.546 1.00 71.14 H new ATOM 0 HD13 LEU A 77 -9.526 0.497 2.578 1.00 71.14 H new ATOM 0 HD21 LEU A 77 -10.337 1.764 -0.111 1.00 72.31 H new ATOM 0 HD22 LEU A 77 -10.033 0.024 0.108 1.00 72.31 H new ATOM 0 HD23 LEU A 77 -11.585 0.579 -0.564 1.00 72.31 H new ATOM 1243 N SER A 78 -13.532 -3.325 1.313 1.00 71.43 N ATOM 1244 CA SER A 78 -14.177 -4.506 1.876 1.00 54.44 C ATOM 1245 C SER A 78 -13.690 -4.764 3.298 1.00 73.45 C ATOM 1246 O SER A 78 -12.830 -4.047 3.812 1.00 75.40 O ATOM 1247 CB SER A 78 -13.903 -5.729 1.000 1.00 0.11 C ATOM 1248 OG SER A 78 -14.656 -6.848 1.437 1.00 63.10 O ATOM 0 H SER A 78 -12.806 -3.528 0.626 1.00 71.43 H new ATOM 0 HA SER A 78 -15.251 -4.324 1.906 1.00 54.44 H new ATOM 0 HB2 SER A 78 -14.152 -5.501 -0.036 1.00 0.11 H new ATOM 0 HB3 SER A 78 -12.840 -5.969 1.027 1.00 0.11 H new ATOM 0 HG SER A 78 -14.095 -7.651 1.408 1.00 63.10 H new ATOM 1254 N ASP A 79 -14.244 -5.794 3.928 1.00 13.12 N ATOM 1255 CA ASP A 79 -13.867 -6.151 5.290 1.00 4.34 C ATOM 1256 C ASP A 79 -12.356 -6.319 5.409 1.00 44.40 C ATOM 1257 O ASP A 79 -11.691 -5.569 6.125 1.00 22.54 O ATOM 1258 CB ASP A 79 -14.571 -7.439 5.718 1.00 13.22 C ATOM 1259 CG ASP A 79 -15.942 -7.180 6.310 1.00 54.31 C ATOM 1260 OD1 ASP A 79 -16.048 -6.321 7.210 1.00 20.24 O ATOM 1261 OD2 ASP A 79 -16.911 -7.836 5.872 1.00 3.22 O ATOM 0 H ASP A 79 -14.956 -6.397 3.516 1.00 13.12 H new ATOM 0 HA ASP A 79 -14.178 -5.341 5.950 1.00 4.34 H new ATOM 0 HB2 ASP A 79 -14.669 -8.099 4.856 1.00 13.22 H new ATOM 0 HB3 ASP A 79 -13.955 -7.960 6.450 1.00 13.22 H new ATOM 1266 N TYR A 80 -11.819 -7.308 4.703 1.00 4.11 N ATOM 1267 CA TYR A 80 -10.386 -7.578 4.732 1.00 51.01 C ATOM 1268 C TYR A 80 -9.590 -6.335 4.346 1.00 3.31 C ATOM 1269 O TYR A 80 -8.541 -6.052 4.925 1.00 33.31 O ATOM 1270 CB TYR A 80 -10.044 -8.729 3.786 1.00 62.54 C ATOM 1271 CG TYR A 80 -10.357 -8.436 2.336 1.00 71.31 C ATOM 1272 CD1 TYR A 80 -11.641 -8.605 1.835 1.00 15.50 C ATOM 1273 CD2 TYR A 80 -9.368 -7.992 1.467 1.00 15.42 C ATOM 1274 CE1 TYR A 80 -11.932 -8.338 0.511 1.00 34.34 C ATOM 1275 CE2 TYR A 80 -9.650 -7.721 0.143 1.00 40.22 C ATOM 1276 CZ TYR A 80 -10.933 -7.897 -0.331 1.00 14.33 C ATOM 1277 OH TYR A 80 -11.218 -7.631 -1.651 1.00 11.51 O ATOM 0 H TYR A 80 -12.354 -7.936 4.104 1.00 4.11 H new ATOM 0 HA TYR A 80 -10.115 -7.860 5.750 1.00 51.01 H new ATOM 0 HB2 TYR A 80 -8.983 -8.962 3.880 1.00 62.54 H new ATOM 0 HB3 TYR A 80 -10.594 -9.618 4.095 1.00 62.54 H new ATOM 0 HD1 TYR A 80 -12.426 -8.951 2.492 1.00 15.50 H new ATOM 0 HD2 TYR A 80 -8.361 -7.857 1.834 1.00 15.42 H new ATOM 0 HE1 TYR A 80 -12.936 -8.474 0.138 1.00 34.34 H new ATOM 0 HE2 TYR A 80 -8.870 -7.373 -0.518 1.00 40.22 H new ATOM 0 HH TYR A 80 -10.405 -7.328 -2.107 1.00 11.51 H new ATOM 1287 N GLN A 81 -10.097 -5.596 3.365 1.00 12.22 N ATOM 1288 CA GLN A 81 -9.435 -4.383 2.902 1.00 42.42 C ATOM 1289 C GLN A 81 -9.171 -3.429 4.063 1.00 44.43 C ATOM 1290 O GLN A 81 -8.025 -3.233 4.470 1.00 50.35 O ATOM 1291 CB GLN A 81 -10.284 -3.686 1.838 1.00 54.23 C ATOM 1292 CG GLN A 81 -10.296 -4.408 0.500 1.00 70.12 C ATOM 1293 CD GLN A 81 -10.155 -3.461 -0.675 1.00 52.13 C ATOM 1294 OE1 GLN A 81 -10.824 -2.429 -0.740 1.00 4.23 O ATOM 1295 NE2 GLN A 81 -9.282 -3.808 -1.614 1.00 30.50 N ATOM 0 H GLN A 81 -10.964 -5.816 2.875 1.00 12.22 H new ATOM 0 HA GLN A 81 -8.478 -4.668 2.464 1.00 42.42 H new ATOM 0 HB2 GLN A 81 -11.307 -3.597 2.203 1.00 54.23 H new ATOM 0 HB3 GLN A 81 -9.909 -2.673 1.692 1.00 54.23 H new ATOM 0 HG2 GLN A 81 -9.484 -5.134 0.476 1.00 70.12 H new ATOM 0 HG3 GLN A 81 -11.226 -4.967 0.401 1.00 70.12 H new ATOM 0 HE21 GLN A 81 -8.748 -4.672 -1.520 1.00 30.50 H new ATOM 0 HE22 GLN A 81 -9.145 -3.210 -2.429 1.00 30.50 H new ATOM 1304 N SER A 82 -10.237 -2.838 4.592 1.00 63.33 N ATOM 1305 CA SER A 82 -10.119 -1.902 5.704 1.00 55.13 C ATOM 1306 C SER A 82 -9.268 -2.492 6.824 1.00 53.12 C ATOM 1307 O SER A 82 -8.553 -1.773 7.521 1.00 52.22 O ATOM 1308 CB SER A 82 -11.506 -1.538 6.239 1.00 0.04 C ATOM 1309 OG SER A 82 -11.461 -0.343 7.000 1.00 62.34 O ATOM 0 H SER A 82 -11.192 -2.991 4.269 1.00 63.33 H new ATOM 0 HA SER A 82 -9.629 -1.000 5.337 1.00 55.13 H new ATOM 0 HB2 SER A 82 -12.200 -1.417 5.407 1.00 0.04 H new ATOM 0 HB3 SER A 82 -11.886 -2.352 6.856 1.00 0.04 H new ATOM 0 HG SER A 82 -12.359 -0.131 7.329 1.00 62.34 H new ATOM 1315 N LYS A 83 -9.351 -3.808 6.990 1.00 63.03 N ATOM 1316 CA LYS A 83 -8.587 -4.499 8.023 1.00 15.42 C ATOM 1317 C LYS A 83 -7.091 -4.426 7.736 1.00 55.44 C ATOM 1318 O LYS A 83 -6.294 -4.100 8.615 1.00 50.51 O ATOM 1319 CB LYS A 83 -9.028 -5.960 8.121 1.00 3.10 C ATOM 1320 CG LYS A 83 -10.171 -6.188 9.095 1.00 3.34 C ATOM 1321 CD LYS A 83 -10.540 -7.658 9.189 1.00 73.20 C ATOM 1322 CE LYS A 83 -9.659 -8.392 10.188 1.00 23.42 C ATOM 1323 NZ LYS A 83 -10.382 -9.517 10.844 1.00 32.21 N ATOM 0 H LYS A 83 -9.940 -4.418 6.422 1.00 63.03 H new ATOM 0 HA LYS A 83 -8.780 -4.003 8.974 1.00 15.42 H new ATOM 0 HB2 LYS A 83 -9.330 -6.306 7.133 1.00 3.10 H new ATOM 0 HB3 LYS A 83 -8.176 -6.568 8.425 1.00 3.10 H new ATOM 0 HG2 LYS A 83 -9.889 -5.819 10.081 1.00 3.34 H new ATOM 0 HG3 LYS A 83 -11.041 -5.613 8.777 1.00 3.34 H new ATOM 0 HD2 LYS A 83 -11.585 -7.754 9.485 1.00 73.20 H new ATOM 0 HD3 LYS A 83 -10.443 -8.122 8.207 1.00 73.20 H new ATOM 0 HE2 LYS A 83 -8.775 -8.776 9.679 1.00 23.42 H new ATOM 0 HE3 LYS A 83 -9.311 -7.692 10.948 1.00 23.42 H new ATOM 0 HZ1 LYS A 83 -9.747 -9.992 11.517 1.00 32.21 H new ATOM 0 HZ2 LYS A 83 -11.212 -9.148 11.351 1.00 32.21 H new ATOM 0 HZ3 LYS A 83 -10.693 -10.198 10.122 1.00 32.21 H new ATOM 1337 N LYS A 84 -6.716 -4.729 6.498 1.00 54.13 N ATOM 1338 CA LYS A 84 -5.316 -4.695 6.092 1.00 63.12 C ATOM 1339 C LYS A 84 -4.758 -3.278 6.179 1.00 72.32 C ATOM 1340 O LYS A 84 -3.544 -3.081 6.241 1.00 70.02 O ATOM 1341 CB LYS A 84 -5.164 -5.228 4.665 1.00 71.42 C ATOM 1342 CG LYS A 84 -5.253 -4.149 3.600 1.00 32.12 C ATOM 1343 CD LYS A 84 -3.876 -3.648 3.198 1.00 31.22 C ATOM 1344 CE LYS A 84 -3.943 -2.247 2.610 1.00 61.14 C ATOM 1345 NZ LYS A 84 -3.062 -2.104 1.417 1.00 43.51 N ATOM 0 H LYS A 84 -7.363 -5.001 5.758 1.00 54.13 H new ATOM 0 HA LYS A 84 -4.751 -5.331 6.773 1.00 63.12 H new ATOM 0 HB2 LYS A 84 -4.204 -5.736 4.576 1.00 71.42 H new ATOM 0 HB3 LYS A 84 -5.937 -5.974 4.480 1.00 71.42 H new ATOM 0 HG2 LYS A 84 -5.768 -4.543 2.724 1.00 32.12 H new ATOM 0 HG3 LYS A 84 -5.850 -3.317 3.973 1.00 32.12 H new ATOM 0 HD2 LYS A 84 -3.219 -3.648 4.068 1.00 31.22 H new ATOM 0 HD3 LYS A 84 -3.438 -4.329 2.469 1.00 31.22 H new ATOM 0 HE2 LYS A 84 -4.972 -2.019 2.331 1.00 61.14 H new ATOM 0 HE3 LYS A 84 -3.649 -1.521 3.368 1.00 61.14 H new ATOM 0 HZ1 LYS A 84 -3.283 -1.214 0.927 1.00 43.51 H new ATOM 0 HZ2 LYS A 84 -2.067 -2.095 1.719 1.00 43.51 H new ATOM 0 HZ3 LYS A 84 -3.220 -2.904 0.771 1.00 43.51 H new ATOM 1359 N LEU A 85 -5.652 -2.295 6.184 1.00 42.04 N ATOM 1360 CA LEU A 85 -5.248 -0.896 6.264 1.00 23.15 C ATOM 1361 C LEU A 85 -4.616 -0.588 7.619 1.00 62.41 C ATOM 1362 O LEU A 85 -3.678 0.203 7.713 1.00 15.53 O ATOM 1363 CB LEU A 85 -6.453 0.017 6.033 1.00 33.14 C ATOM 1364 CG LEU A 85 -6.346 0.985 4.855 1.00 55.21 C ATOM 1365 CD1 LEU A 85 -6.983 0.386 3.611 1.00 24.32 C ATOM 1366 CD2 LEU A 85 -6.995 2.318 5.198 1.00 2.52 C ATOM 0 H LEU A 85 -6.660 -2.441 6.134 1.00 42.04 H new ATOM 0 HA LEU A 85 -4.506 -0.713 5.487 1.00 23.15 H new ATOM 0 HB2 LEU A 85 -7.334 -0.608 5.885 1.00 33.14 H new ATOM 0 HB3 LEU A 85 -6.623 0.597 6.940 1.00 33.14 H new ATOM 0 HG LEU A 85 -5.290 1.160 4.650 1.00 55.21 H new ATOM 0 HD11 LEU A 85 -6.897 1.090 2.783 1.00 24.32 H new ATOM 0 HD12 LEU A 85 -6.474 -0.542 3.352 1.00 24.32 H new ATOM 0 HD13 LEU A 85 -8.036 0.180 3.804 1.00 24.32 H new ATOM 0 HD21 LEU A 85 -6.909 2.994 4.347 1.00 2.52 H new ATOM 0 HD22 LEU A 85 -8.048 2.161 5.431 1.00 2.52 H new ATOM 0 HD23 LEU A 85 -6.493 2.755 6.061 1.00 2.52 H new ATOM 1378 N LYS A 86 -5.135 -1.223 8.665 1.00 2.33 N ATOM 1379 CA LYS A 86 -4.620 -1.022 10.014 1.00 0.44 C ATOM 1380 C LYS A 86 -3.257 -1.685 10.181 1.00 2.45 C ATOM 1381 O LYS A 86 -2.595 -1.513 11.204 1.00 21.20 O ATOM 1382 CB LYS A 86 -5.601 -1.582 11.046 1.00 50.12 C ATOM 1383 CG LYS A 86 -5.525 -3.090 11.201 1.00 72.30 C ATOM 1384 CD LYS A 86 -4.871 -3.484 12.515 1.00 43.23 C ATOM 1385 CE LYS A 86 -5.867 -3.461 13.663 1.00 32.42 C ATOM 1386 NZ LYS A 86 -6.766 -4.648 13.641 1.00 21.23 N ATOM 0 H LYS A 86 -5.912 -1.881 8.604 1.00 2.33 H new ATOM 0 HA LYS A 86 -4.505 0.050 10.175 1.00 0.44 H new ATOM 0 HB2 LYS A 86 -5.405 -1.116 12.012 1.00 50.12 H new ATOM 0 HB3 LYS A 86 -6.615 -1.305 10.758 1.00 50.12 H new ATOM 0 HG2 LYS A 86 -6.529 -3.513 11.152 1.00 72.30 H new ATOM 0 HG3 LYS A 86 -4.960 -3.514 10.371 1.00 72.30 H new ATOM 0 HD2 LYS A 86 -4.442 -4.482 12.424 1.00 43.23 H new ATOM 0 HD3 LYS A 86 -4.049 -2.802 12.732 1.00 43.23 H new ATOM 0 HE2 LYS A 86 -5.329 -3.431 14.610 1.00 32.42 H new ATOM 0 HE3 LYS A 86 -6.465 -2.551 13.607 1.00 32.42 H new ATOM 0 HZ1 LYS A 86 -7.361 -4.648 14.494 1.00 21.23 H new ATOM 0 HZ2 LYS A 86 -7.371 -4.609 12.796 1.00 21.23 H new ATOM 0 HZ3 LYS A 86 -6.194 -5.516 13.618 1.00 21.23 H new ATOM 1400 N GLU A 87 -2.843 -2.440 9.169 1.00 74.44 N ATOM 1401 CA GLU A 87 -1.558 -3.128 9.205 1.00 50.13 C ATOM 1402 C GLU A 87 -0.405 -2.130 9.149 1.00 22.42 C ATOM 1403 O GLU A 87 0.238 -1.850 10.162 1.00 50.43 O ATOM 1404 CB GLU A 87 -1.449 -4.115 8.040 1.00 21.25 C ATOM 1405 CG GLU A 87 -2.502 -5.209 8.071 1.00 74.42 C ATOM 1406 CD GLU A 87 -2.255 -6.229 9.166 1.00 3.42 C ATOM 1407 OE1 GLU A 87 -1.521 -7.206 8.911 1.00 70.42 O ATOM 1408 OE2 GLU A 87 -2.793 -6.048 10.278 1.00 30.45 O ATOM 0 H GLU A 87 -3.379 -2.591 8.314 1.00 74.44 H new ATOM 0 HA GLU A 87 -1.496 -3.677 10.144 1.00 50.13 H new ATOM 0 HB2 GLU A 87 -1.533 -3.567 7.101 1.00 21.25 H new ATOM 0 HB3 GLU A 87 -0.460 -4.573 8.054 1.00 21.25 H new ATOM 0 HG2 GLU A 87 -3.484 -4.758 8.215 1.00 74.42 H new ATOM 0 HG3 GLU A 87 -2.522 -5.716 7.106 1.00 74.42 H new ATOM 1415 N LEU A 88 -0.148 -1.598 7.960 1.00 14.40 N ATOM 1416 CA LEU A 88 0.928 -0.631 7.770 1.00 10.32 C ATOM 1417 C LEU A 88 0.625 0.672 8.503 1.00 33.43 C ATOM 1418 O LEU A 88 1.454 1.582 8.543 1.00 34.02 O ATOM 1419 CB LEU A 88 1.135 -0.355 6.280 1.00 70.21 C ATOM 1420 CG LEU A 88 -0.135 -0.189 5.445 1.00 61.30 C ATOM 1421 CD1 LEU A 88 -0.655 -1.544 4.989 1.00 74.03 C ATOM 1422 CD2 LEU A 88 -1.201 0.554 6.236 1.00 23.15 C ATOM 0 H LEU A 88 -0.670 -1.820 7.112 1.00 14.40 H new ATOM 0 HA LEU A 88 1.842 -1.056 8.185 1.00 10.32 H new ATOM 0 HB2 LEU A 88 1.733 0.550 6.178 1.00 70.21 H new ATOM 0 HB3 LEU A 88 1.719 -1.172 5.857 1.00 70.21 H new ATOM 0 HG LEU A 88 0.109 0.400 4.561 1.00 61.30 H new ATOM 0 HD11 LEU A 88 -1.559 -1.406 4.396 1.00 74.03 H new ATOM 0 HD12 LEU A 88 0.104 -2.040 4.384 1.00 74.03 H new ATOM 0 HD13 LEU A 88 -0.883 -2.158 5.860 1.00 74.03 H new ATOM 0 HD21 LEU A 88 -2.097 0.663 5.626 1.00 23.15 H new ATOM 0 HD22 LEU A 88 -1.442 -0.008 7.138 1.00 23.15 H new ATOM 0 HD23 LEU A 88 -0.828 1.540 6.512 1.00 23.15 H new ATOM 1434 N THR A 89 -0.569 0.755 9.083 1.00 21.21 N ATOM 1435 CA THR A 89 -0.982 1.945 9.816 1.00 24.43 C ATOM 1436 C THR A 89 -0.085 2.185 11.025 1.00 30.40 C ATOM 1437 O THR A 89 0.050 3.314 11.497 1.00 52.23 O ATOM 1438 CB THR A 89 -2.443 1.835 10.288 1.00 12.24 C ATOM 1439 OG1 THR A 89 -3.079 3.116 10.216 1.00 23.44 O ATOM 1440 CG2 THR A 89 -2.513 1.308 11.714 1.00 72.04 C ATOM 0 H THR A 89 -1.267 0.011 9.059 1.00 21.21 H new ATOM 0 HA THR A 89 -0.893 2.786 9.129 1.00 24.43 H new ATOM 0 HB THR A 89 -2.961 1.135 9.633 1.00 12.24 H new ATOM 0 HG1 THR A 89 -4.008 3.037 10.516 1.00 23.44 H new ATOM 0 HG21 THR A 89 -3.555 1.239 12.026 1.00 72.04 H new ATOM 0 HG22 THR A 89 -2.054 0.320 11.760 1.00 72.04 H new ATOM 0 HG23 THR A 89 -1.980 1.987 12.379 1.00 72.04 H new ATOM 1448 N SER A 90 0.527 1.115 11.524 1.00 11.11 N ATOM 1449 CA SER A 90 1.409 1.208 12.682 1.00 13.12 C ATOM 1450 C SER A 90 2.766 1.781 12.285 1.00 62.44 C ATOM 1451 O SER A 90 3.266 2.714 12.913 1.00 4.24 O ATOM 1452 CB SER A 90 1.590 -0.168 13.324 1.00 51.14 C ATOM 1453 OG SER A 90 0.385 -0.617 13.918 1.00 73.12 O ATOM 0 H SER A 90 0.428 0.174 11.144 1.00 11.11 H new ATOM 0 HA SER A 90 0.948 1.880 13.407 1.00 13.12 H new ATOM 0 HB2 SER A 90 1.916 -0.884 12.570 1.00 51.14 H new ATOM 0 HB3 SER A 90 2.375 -0.120 14.079 1.00 51.14 H new ATOM 0 HG SER A 90 0.527 -1.499 14.320 1.00 73.12 H new ATOM 1459 N ILE A 91 3.357 1.213 11.238 1.00 0.05 N ATOM 1460 CA ILE A 91 4.656 1.667 10.757 1.00 71.53 C ATOM 1461 C ILE A 91 4.582 3.101 10.243 1.00 24.31 C ATOM 1462 O ILE A 91 5.497 3.895 10.456 1.00 5.21 O ATOM 1463 CB ILE A 91 5.189 0.757 9.634 1.00 21.04 C ATOM 1464 CG1 ILE A 91 5.187 -0.704 10.087 1.00 23.35 C ATOM 1465 CG2 ILE A 91 6.589 1.188 9.223 1.00 41.30 C ATOM 1466 CD1 ILE A 91 5.506 -1.681 8.978 1.00 0.30 C ATOM 0 H ILE A 91 2.957 0.439 10.708 1.00 0.05 H new ATOM 0 HA ILE A 91 5.340 1.623 11.605 1.00 71.53 H new ATOM 0 HB ILE A 91 4.532 0.850 8.769 1.00 21.04 H new ATOM 0 HG12 ILE A 91 5.914 -0.828 10.890 1.00 23.35 H new ATOM 0 HG13 ILE A 91 4.209 -0.946 10.503 1.00 23.35 H new ATOM 0 HG21 ILE A 91 6.952 0.536 8.429 1.00 41.30 H new ATOM 0 HG22 ILE A 91 6.562 2.217 8.864 1.00 41.30 H new ATOM 0 HG23 ILE A 91 7.257 1.121 10.082 1.00 41.30 H new ATOM 0 HD11 ILE A 91 5.487 -2.697 9.372 1.00 0.30 H new ATOM 0 HD12 ILE A 91 4.765 -1.585 8.184 1.00 0.30 H new ATOM 0 HD13 ILE A 91 6.497 -1.466 8.577 1.00 0.30 H new ATOM 1478 N SER A 92 3.485 3.424 9.566 1.00 14.21 N ATOM 1479 CA SER A 92 3.292 4.762 9.019 1.00 11.32 C ATOM 1480 C SER A 92 3.025 5.771 10.132 1.00 62.14 C ATOM 1481 O SER A 92 2.746 5.397 11.270 1.00 22.35 O ATOM 1482 CB SER A 92 2.130 4.766 8.023 1.00 42.51 C ATOM 1483 OG SER A 92 2.353 5.703 6.984 1.00 53.02 O ATOM 0 H SER A 92 2.717 2.778 9.383 1.00 14.21 H new ATOM 0 HA SER A 92 4.207 5.051 8.501 1.00 11.32 H new ATOM 0 HB2 SER A 92 2.007 3.770 7.598 1.00 42.51 H new ATOM 0 HB3 SER A 92 1.203 5.008 8.542 1.00 42.51 H new ATOM 0 HG SER A 92 3.040 6.343 7.263 1.00 53.02 H new