USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 685 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 91 THR OG1 : rot -71:sc= 0.384 USER MOD Set 1.2: A 93 GLN : amide:sc= -1.61 K(o=-1.2,f=-8.3!) USER MOD Single : A 11 SER OG : rot 22:sc= 0.645 USER MOD Single : A 15 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0263) USER MOD Single : A 18 SER OG : rot -100:sc= -1.19 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 24 SER OG : rot -100:sc= 0.0711 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 0.519 (180deg=-0.89) USER MOD Single : A 30 ASN : amide:sc= -0.231 K(o=-0.23,f=-1.8!) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 0.0749 (180deg=0.0603) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -53:sc= 0.015 USER MOD Single : A 60 GLN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 92:sc= 0.363 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.235 X(o=-0.23,f=0) USER MOD Single : A 95 SER OG : rot -35:sc= 0.276 USER MOD Single : A 96 SER OG : rot -53:sc= -0.14 USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= -1.97! (180deg=-2.33!) USER MOD Single : A 104 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -13.865 6.031 -9.407 1.00 0.00 N ATOM 183 CA SER A 11 -12.996 6.012 -8.232 1.00 0.00 C ATOM 184 C SER A 11 -13.804 5.716 -6.971 1.00 0.00 C ATOM 185 O SER A 11 -13.304 5.104 -6.028 1.00 0.00 O ATOM 186 CB SER A 11 -12.296 7.361 -8.064 1.00 0.00 C ATOM 187 OG SER A 11 -12.125 7.964 -9.339 1.00 0.00 O ATOM 0 HA SER A 11 -12.252 5.229 -8.379 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.885 8.011 -7.418 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.328 7.224 -7.581 1.00 0.00 H new ATOM 0 HG SER A 11 -12.773 7.586 -9.969 1.00 0.00 H new ATOM 193 N ASP A 12 -15.059 6.162 -6.968 1.00 0.00 N ATOM 194 CA ASP A 12 -15.940 5.949 -5.819 1.00 0.00 C ATOM 195 C ASP A 12 -16.122 4.459 -5.545 1.00 0.00 C ATOM 196 O ASP A 12 -17.066 3.833 -6.029 1.00 0.00 O ATOM 197 CB ASP A 12 -17.310 6.580 -6.072 1.00 0.00 C ATOM 198 CG ASP A 12 -17.868 6.071 -7.398 1.00 0.00 C ATOM 199 OD1 ASP A 12 -17.392 6.520 -8.429 1.00 0.00 O ATOM 200 OD2 ASP A 12 -18.759 5.240 -7.363 1.00 0.00 O ATOM 0 H ASP A 12 -15.487 6.670 -7.742 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.476 6.419 -4.952 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.992 6.332 -5.259 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -17.223 7.666 -6.095 1.00 0.00 H new ATOM 205 N ALA A 13 -15.205 3.900 -4.759 1.00 0.00 N ATOM 206 CA ALA A 13 -15.257 2.480 -4.412 1.00 0.00 C ATOM 207 C ALA A 13 -14.055 2.109 -3.550 1.00 0.00 C ATOM 208 O ALA A 13 -14.179 1.393 -2.556 1.00 0.00 O ATOM 209 CB ALA A 13 -15.256 1.609 -5.673 1.00 0.00 C ATOM 0 H ALA A 13 -14.419 4.406 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.179 2.302 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.295 0.557 -5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -16.125 1.852 -6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.347 1.797 -6.244 1.00 0.00 H new ATOM 215 N CYS A 14 -12.888 2.610 -3.945 1.00 0.00 N ATOM 216 CA CYS A 14 -11.659 2.335 -3.207 1.00 0.00 C ATOM 217 C CYS A 14 -11.580 3.171 -1.924 1.00 0.00 C ATOM 218 O CYS A 14 -10.760 2.899 -1.049 1.00 0.00 O ATOM 219 CB CYS A 14 -10.438 2.637 -4.079 1.00 0.00 C ATOM 220 SG CYS A 14 -10.457 1.556 -5.530 1.00 0.00 S ATOM 0 H CYS A 14 -12.767 3.204 -4.765 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.667 1.279 -2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.448 3.682 -4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.522 2.483 -3.508 1.00 0.00 H new ATOM 225 N LYS A 15 -12.434 4.190 -1.814 1.00 0.00 N ATOM 226 CA LYS A 15 -12.431 5.040 -0.625 1.00 0.00 C ATOM 227 C LYS A 15 -13.072 4.322 0.565 1.00 0.00 C ATOM 228 O LYS A 15 -12.794 4.643 1.720 1.00 0.00 O ATOM 229 CB LYS A 15 -13.196 6.338 -0.894 1.00 0.00 C ATOM 230 CG LYS A 15 -14.601 6.011 -1.405 1.00 0.00 C ATOM 231 CD LYS A 15 -15.589 7.058 -0.886 1.00 0.00 C ATOM 232 CE LYS A 15 -15.601 8.262 -1.829 1.00 0.00 C ATOM 233 NZ LYS A 15 -14.619 9.299 -1.400 1.00 0.00 N ATOM 0 H LYS A 15 -13.125 4.443 -2.521 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.392 5.269 -0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.259 6.930 0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.662 6.941 -1.629 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.609 5.997 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.899 5.017 -1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.588 6.627 -0.817 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.307 7.373 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.368 7.935 -2.842 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.601 8.695 -1.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -14.734 10.150 -1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -14.784 9.542 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.653 8.930 -1.511 1.00 0.00 H new ATOM 247 N ALA A 16 -13.938 3.349 0.272 1.00 0.00 N ATOM 248 CA ALA A 16 -14.616 2.597 1.328 1.00 0.00 C ATOM 249 C ALA A 16 -13.606 1.908 2.246 1.00 0.00 C ATOM 250 O ALA A 16 -13.483 2.249 3.422 1.00 0.00 O ATOM 251 CB ALA A 16 -15.542 1.541 0.718 1.00 0.00 C ATOM 0 H ALA A 16 -14.184 3.066 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.202 3.304 1.915 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.040 0.989 1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.290 2.030 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.957 0.851 0.110 1.00 0.00 H new ATOM 257 N GLU A 17 -12.893 0.927 1.698 1.00 0.00 N ATOM 258 CA GLU A 17 -11.901 0.190 2.481 1.00 0.00 C ATOM 259 C GLU A 17 -10.582 0.956 2.544 1.00 0.00 C ATOM 260 O GLU A 17 -10.037 1.186 3.622 1.00 0.00 O ATOM 261 CB GLU A 17 -11.648 -1.190 1.862 1.00 0.00 C ATOM 262 CG GLU A 17 -10.710 -2.002 2.763 1.00 0.00 C ATOM 263 CD GLU A 17 -10.729 -3.463 2.331 1.00 0.00 C ATOM 264 OE1 GLU A 17 -11.628 -4.173 2.751 1.00 0.00 O ATOM 265 OE2 GLU A 17 -9.845 -3.853 1.586 1.00 0.00 O ATOM 0 H GLU A 17 -12.980 0.626 0.727 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.296 0.071 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.592 -1.719 1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.208 -1.079 0.871 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.696 -1.607 2.701 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.023 -1.915 3.804 1.00 0.00 H new ATOM 272 N SER A 18 -10.068 1.330 1.378 1.00 0.00 N ATOM 273 CA SER A 18 -8.801 2.049 1.320 1.00 0.00 C ATOM 274 C SER A 18 -8.965 3.496 1.790 1.00 0.00 C ATOM 275 O SER A 18 -8.687 3.815 2.946 1.00 0.00 O ATOM 276 CB SER A 18 -8.228 2.015 -0.104 1.00 0.00 C ATOM 277 OG SER A 18 -7.075 1.184 -0.125 1.00 0.00 O ATOM 0 H SER A 18 -10.501 1.151 0.472 1.00 0.00 H new ATOM 0 HA SER A 18 -8.103 1.551 1.992 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.976 1.637 -0.801 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.970 3.023 -0.429 1.00 0.00 H new ATOM 0 HG SER A 18 -6.269 1.741 -0.097 1.00 0.00 H new ATOM 283 N GLY A 19 -9.407 4.376 0.886 1.00 0.00 N ATOM 284 CA GLY A 19 -9.583 5.788 1.234 1.00 0.00 C ATOM 285 C GLY A 19 -8.298 6.369 1.823 1.00 0.00 C ATOM 286 O GLY A 19 -8.331 7.298 2.630 1.00 0.00 O ATOM 0 H GLY A 19 -9.646 4.140 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.869 6.353 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.396 5.891 1.953 1.00 0.00 H new ATOM 290 N VAL A 20 -7.162 5.801 1.410 1.00 0.00 N ATOM 291 CA VAL A 20 -5.862 6.252 1.902 1.00 0.00 C ATOM 292 C VAL A 20 -5.668 7.748 1.631 1.00 0.00 C ATOM 293 O VAL A 20 -5.724 8.200 0.488 1.00 0.00 O ATOM 294 CB VAL A 20 -4.735 5.438 1.238 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.668 5.741 -0.264 1.00 0.00 C ATOM 296 CG2 VAL A 20 -3.395 5.784 1.894 1.00 0.00 C ATOM 0 H VAL A 20 -7.118 5.033 0.740 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.826 6.093 2.980 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.944 4.377 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.867 5.158 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.617 5.478 -0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.473 6.803 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.599 5.207 1.423 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.193 6.848 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -3.437 5.544 2.956 1.00 0.00 H new ATOM 306 N SER A 21 -5.449 8.507 2.702 1.00 0.00 N ATOM 307 CA SER A 21 -5.259 9.950 2.575 1.00 0.00 C ATOM 308 C SER A 21 -3.771 10.295 2.515 1.00 0.00 C ATOM 309 O SER A 21 -3.298 11.215 3.183 1.00 0.00 O ATOM 310 CB SER A 21 -5.900 10.676 3.760 1.00 0.00 C ATOM 311 OG SER A 21 -5.513 10.036 4.968 1.00 0.00 O ATOM 0 H SER A 21 -5.399 8.152 3.657 1.00 0.00 H new ATOM 0 HA SER A 21 -5.737 10.274 1.650 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.589 11.721 3.773 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.986 10.668 3.662 1.00 0.00 H new ATOM 0 HG SER A 21 -5.921 10.500 5.729 1.00 0.00 H new ATOM 317 N GLU A 22 -3.035 9.545 1.697 1.00 0.00 N ATOM 318 CA GLU A 22 -1.599 9.777 1.547 1.00 0.00 C ATOM 319 C GLU A 22 -0.883 9.621 2.886 1.00 0.00 C ATOM 320 O GLU A 22 0.143 10.256 3.134 1.00 0.00 O ATOM 321 CB GLU A 22 -1.339 11.185 1.006 1.00 0.00 C ATOM 322 CG GLU A 22 0.023 11.220 0.310 1.00 0.00 C ATOM 323 CD GLU A 22 -0.010 12.240 -0.822 1.00 0.00 C ATOM 324 OE1 GLU A 22 -0.586 11.933 -1.853 1.00 0.00 O ATOM 325 OE2 GLU A 22 0.541 13.314 -0.643 1.00 0.00 O ATOM 0 H GLU A 22 -3.404 8.779 1.133 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.214 9.038 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.125 11.468 0.306 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.362 11.909 1.820 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.802 11.481 1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.268 10.233 -0.083 1.00 0.00 H new ATOM 332 N GLU A 23 -1.430 8.767 3.747 1.00 0.00 N ATOM 333 CA GLU A 23 -0.830 8.535 5.057 1.00 0.00 C ATOM 334 C GLU A 23 0.263 7.477 4.955 1.00 0.00 C ATOM 335 O GLU A 23 1.426 7.731 5.268 1.00 0.00 O ATOM 336 CB GLU A 23 -1.889 8.066 6.058 1.00 0.00 C ATOM 337 CG GLU A 23 -1.538 8.583 7.455 1.00 0.00 C ATOM 338 CD GLU A 23 -2.819 8.904 8.217 1.00 0.00 C ATOM 339 OE1 GLU A 23 -3.721 9.461 7.613 1.00 0.00 O ATOM 340 OE2 GLU A 23 -2.882 8.588 9.394 1.00 0.00 O ATOM 0 H GLU A 23 -2.278 8.230 3.564 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.399 9.474 5.404 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.872 8.431 5.760 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.941 6.977 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.959 7.835 7.996 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.915 9.474 7.378 1.00 0.00 H new ATOM 347 N SER A 24 -0.125 6.286 4.506 1.00 0.00 N ATOM 348 CA SER A 24 0.830 5.192 4.359 1.00 0.00 C ATOM 349 C SER A 24 1.791 5.479 3.210 1.00 0.00 C ATOM 350 O SER A 24 2.976 5.155 3.277 1.00 0.00 O ATOM 351 CB SER A 24 0.099 3.878 4.080 1.00 0.00 C ATOM 352 OG SER A 24 -1.145 3.878 4.769 1.00 0.00 O ATOM 0 H SER A 24 -1.083 6.056 4.241 1.00 0.00 H new ATOM 0 HA SER A 24 1.390 5.104 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.065 3.760 3.009 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.708 3.034 4.404 1.00 0.00 H new ATOM 0 HG SER A 24 -1.061 3.358 5.595 1.00 0.00 H new ATOM 358 N LEU A 25 1.265 6.095 2.154 1.00 0.00 N ATOM 359 CA LEU A 25 2.083 6.429 0.991 1.00 0.00 C ATOM 360 C LEU A 25 3.215 7.373 1.384 1.00 0.00 C ATOM 361 O LEU A 25 4.304 7.331 0.812 1.00 0.00 O ATOM 362 CB LEU A 25 1.229 7.092 -0.092 1.00 0.00 C ATOM 363 CG LEU A 25 0.493 6.129 -1.027 1.00 0.00 C ATOM 364 CD1 LEU A 25 -0.563 6.897 -1.824 1.00 0.00 C ATOM 365 CD2 LEU A 25 1.496 5.492 -1.993 1.00 0.00 C ATOM 0 H LEU A 25 0.286 6.371 2.079 1.00 0.00 H new ATOM 0 HA LEU A 25 2.506 5.503 0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.494 7.735 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.870 7.737 -0.693 1.00 0.00 H new ATOM 0 HG LEU A 25 0.008 5.351 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.087 6.211 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.277 7.353 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.079 7.676 -2.413 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.974 4.806 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.980 6.272 -2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.249 4.945 -1.427 1.00 0.00 H new ATOM 377 N ASN A 26 2.946 8.224 2.370 1.00 0.00 N ATOM 378 CA ASN A 26 3.952 9.174 2.838 1.00 0.00 C ATOM 379 C ASN A 26 5.160 8.430 3.401 1.00 0.00 C ATOM 380 O ASN A 26 6.306 8.820 3.181 1.00 0.00 O ATOM 381 CB ASN A 26 3.372 10.078 3.929 1.00 0.00 C ATOM 382 CG ASN A 26 4.110 11.412 3.930 1.00 0.00 C ATOM 383 OD1 ASN A 26 3.742 12.333 3.202 1.00 0.00 O ATOM 384 ND2 ASN A 26 5.142 11.571 4.714 1.00 0.00 N ATOM 0 H ASN A 26 2.051 8.276 2.856 1.00 0.00 H new ATOM 0 HA ASN A 26 4.260 9.784 1.989 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.308 10.239 3.755 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.467 9.597 4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.644 12.459 4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.447 10.807 5.317 1.00 0.00 H new ATOM 391 N LYS A 27 4.886 7.349 4.125 1.00 0.00 N ATOM 392 CA LYS A 27 5.952 6.545 4.715 1.00 0.00 C ATOM 393 C LYS A 27 6.853 5.962 3.627 1.00 0.00 C ATOM 394 O LYS A 27 8.031 5.689 3.860 1.00 0.00 O ATOM 395 CB LYS A 27 5.364 5.401 5.543 1.00 0.00 C ATOM 396 CG LYS A 27 4.611 5.976 6.746 1.00 0.00 C ATOM 397 CD LYS A 27 3.567 4.967 7.226 1.00 0.00 C ATOM 398 CE LYS A 27 2.616 5.646 8.211 1.00 0.00 C ATOM 399 NZ LYS A 27 1.553 6.413 7.500 1.00 0.00 N ATOM 0 H LYS A 27 3.943 7.011 4.316 1.00 0.00 H new ATOM 0 HA LYS A 27 6.542 7.195 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.689 4.804 4.930 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.159 4.737 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.310 6.203 7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.127 6.913 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.008 4.574 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.058 4.119 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.157 4.894 8.853 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.179 6.317 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.225 7.194 8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.937 6.798 6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.754 5.782 7.286 1.00 0.00 H new ATOM 413 N VAL A 28 6.290 5.775 2.434 1.00 0.00 N ATOM 414 CA VAL A 28 7.056 5.223 1.317 1.00 0.00 C ATOM 415 C VAL A 28 8.239 6.131 0.976 1.00 0.00 C ATOM 416 O VAL A 28 9.255 5.674 0.455 1.00 0.00 O ATOM 417 CB VAL A 28 6.164 5.065 0.078 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.948 4.367 -1.037 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.937 4.218 0.434 1.00 0.00 C ATOM 0 H VAL A 28 5.318 5.995 2.217 1.00 0.00 H new ATOM 0 HA VAL A 28 7.430 4.244 1.617 1.00 0.00 H new ATOM 0 HB VAL A 28 5.845 6.051 -0.261 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.312 4.257 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.823 4.964 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.269 3.383 -0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.304 4.106 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.260 3.235 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.373 4.710 1.226 1.00 0.00 H new ATOM 429 N ARG A 29 8.098 7.425 1.273 1.00 0.00 N ATOM 430 CA ARG A 29 9.165 8.388 0.990 1.00 0.00 C ATOM 431 C ARG A 29 10.474 7.960 1.655 1.00 0.00 C ATOM 432 O ARG A 29 11.562 8.232 1.148 1.00 0.00 O ATOM 433 CB ARG A 29 8.779 9.777 1.502 1.00 0.00 C ATOM 434 CG ARG A 29 7.562 10.288 0.729 1.00 0.00 C ATOM 435 CD ARG A 29 7.943 10.513 -0.735 1.00 0.00 C ATOM 436 NE ARG A 29 7.082 11.524 -1.342 1.00 0.00 N ATOM 437 CZ ARG A 29 7.596 12.523 -2.056 1.00 0.00 C ATOM 438 NH1 ARG A 29 8.152 12.281 -3.210 1.00 0.00 N ATOM 439 NH2 ARG A 29 7.544 13.745 -1.599 1.00 0.00 N ATOM 0 H ARG A 29 7.266 7.827 1.704 1.00 0.00 H new ATOM 0 HA ARG A 29 9.305 8.421 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.554 9.733 2.568 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.615 10.466 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.747 9.568 0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.203 11.218 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.984 10.828 -0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.858 9.577 -1.286 1.00 0.00 H new ATOM 0 HE ARG A 29 6.071 11.464 -1.217 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.193 11.326 -3.566 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.546 13.047 -3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.110 13.934 -0.696 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.938 14.511 -2.145 1.00 0.00 H new ATOM 453 N ASN A 30 10.353 7.280 2.791 1.00 0.00 N ATOM 454 CA ASN A 30 11.529 6.811 3.516 1.00 0.00 C ATOM 455 C ASN A 30 11.909 5.408 3.053 1.00 0.00 C ATOM 456 O ASN A 30 11.075 4.503 3.020 1.00 0.00 O ATOM 457 CB ASN A 30 11.260 6.784 5.021 1.00 0.00 C ATOM 458 CG ASN A 30 12.571 6.970 5.777 1.00 0.00 C ATOM 459 OD1 ASN A 30 13.465 7.681 5.317 1.00 0.00 O ATOM 460 ND2 ASN A 30 12.740 6.367 6.922 1.00 0.00 N ATOM 0 H ASN A 30 9.461 7.043 3.226 1.00 0.00 H new ATOM 0 HA ASN A 30 12.348 7.500 3.310 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.558 7.574 5.290 1.00 0.00 H new ATOM 0 HB3 ASN A 30 10.798 5.838 5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.613 6.485 7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.999 5.778 7.303 1.00 0.00 H new ATOM 467 N ARG A 31 13.178 5.237 2.694 1.00 0.00 N ATOM 468 CA ARG A 31 13.661 3.939 2.230 1.00 0.00 C ATOM 469 C ARG A 31 13.822 2.979 3.405 1.00 0.00 C ATOM 470 O ARG A 31 14.921 2.791 3.928 1.00 0.00 O ATOM 471 CB ARG A 31 15.006 4.090 1.517 1.00 0.00 C ATOM 472 CG ARG A 31 14.887 5.151 0.421 1.00 0.00 C ATOM 473 CD ARG A 31 16.135 5.117 -0.462 1.00 0.00 C ATOM 474 NE ARG A 31 17.154 6.029 0.052 1.00 0.00 N ATOM 475 CZ ARG A 31 18.368 6.073 -0.489 1.00 0.00 C ATOM 476 NH1 ARG A 31 18.519 6.472 -1.722 1.00 0.00 N ATOM 477 NH2 ARG A 31 19.409 5.718 0.213 1.00 0.00 N ATOM 0 H ARG A 31 13.885 5.972 2.715 1.00 0.00 H new ATOM 0 HA ARG A 31 12.927 3.537 1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.778 4.375 2.231 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.309 3.137 1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 31 13.997 4.968 -0.182 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.772 6.139 0.868 1.00 0.00 H new ATOM 0 HD2 ARG A 31 16.533 4.103 -0.500 1.00 0.00 H new ATOM 0 HD3 ARG A 31 15.872 5.395 -1.483 1.00 0.00 H new ATOM 0 HE ARG A 31 16.931 6.641 0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 31 17.706 6.750 -2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.450 6.506 -2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.292 5.407 1.177 1.00 0.00 H new ATOM 0 HH22 ARG A 31 20.340 5.752 -0.202 1.00 0.00 H new ATOM 491 N GLU A 32 12.711 2.373 3.814 1.00 0.00 N ATOM 492 CA GLU A 32 12.735 1.429 4.928 1.00 0.00 C ATOM 493 C GLU A 32 11.603 0.415 4.790 1.00 0.00 C ATOM 494 O GLU A 32 11.832 -0.754 4.479 1.00 0.00 O ATOM 495 CB GLU A 32 12.586 2.168 6.260 1.00 0.00 C ATOM 496 CG GLU A 32 13.970 2.550 6.789 1.00 0.00 C ATOM 497 CD GLU A 32 13.951 2.548 8.314 1.00 0.00 C ATOM 498 OE1 GLU A 32 13.281 3.396 8.879 1.00 0.00 O ATOM 499 OE2 GLU A 32 14.607 1.698 8.893 1.00 0.00 O ATOM 0 H GLU A 32 11.792 2.516 3.396 1.00 0.00 H new ATOM 0 HA GLU A 32 13.693 0.909 4.909 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.977 3.062 6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.070 1.536 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.718 1.846 6.423 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.253 3.536 6.420 1.00 0.00 H new ATOM 506 N GLU A 33 10.376 0.875 5.025 1.00 0.00 N ATOM 507 CA GLU A 33 9.209 0.000 4.924 1.00 0.00 C ATOM 508 C GLU A 33 7.931 0.780 5.220 1.00 0.00 C ATOM 509 O GLU A 33 7.976 1.951 5.599 1.00 0.00 O ATOM 510 CB GLU A 33 9.321 -1.165 5.911 1.00 0.00 C ATOM 511 CG GLU A 33 9.538 -0.621 7.325 1.00 0.00 C ATOM 512 CD GLU A 33 10.229 -1.680 8.177 1.00 0.00 C ATOM 513 OE1 GLU A 33 9.820 -2.827 8.108 1.00 0.00 O ATOM 514 OE2 GLU A 33 11.157 -1.328 8.886 1.00 0.00 O ATOM 0 H GLU A 33 10.164 1.839 5.284 1.00 0.00 H new ATOM 0 HA GLU A 33 9.171 -0.391 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.415 -1.771 5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.149 -1.815 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.144 0.284 7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.582 -0.347 7.771 1.00 0.00 H new ATOM 521 N VAL A 34 6.793 0.115 5.045 1.00 0.00 N ATOM 522 CA VAL A 34 5.503 0.754 5.296 1.00 0.00 C ATOM 523 C VAL A 34 4.496 -0.273 5.810 1.00 0.00 C ATOM 524 O VAL A 34 4.057 -0.211 6.960 1.00 0.00 O ATOM 525 CB VAL A 34 4.959 1.393 4.015 1.00 0.00 C ATOM 526 CG1 VAL A 34 3.711 2.215 4.342 1.00 0.00 C ATOM 527 CG2 VAL A 34 6.025 2.310 3.410 1.00 0.00 C ATOM 0 H VAL A 34 6.736 -0.855 4.734 1.00 0.00 H new ATOM 0 HA VAL A 34 5.650 1.529 6.048 1.00 0.00 H new ATOM 0 HB VAL A 34 4.702 0.610 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.325 2.669 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.950 1.565 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.968 2.997 5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.638 2.765 2.498 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.281 3.092 4.125 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.916 1.727 3.175 1.00 0.00 H new ATOM 537 N ASP A 35 4.136 -1.219 4.945 1.00 0.00 N ATOM 538 CA ASP A 35 3.179 -2.259 5.319 1.00 0.00 C ATOM 539 C ASP A 35 1.838 -1.644 5.708 1.00 0.00 C ATOM 540 O ASP A 35 1.597 -1.334 6.875 1.00 0.00 O ATOM 541 CB ASP A 35 3.711 -3.080 6.495 1.00 0.00 C ATOM 542 CG ASP A 35 3.194 -4.511 6.393 1.00 0.00 C ATOM 543 OD1 ASP A 35 3.543 -5.179 5.434 1.00 0.00 O ATOM 544 OD2 ASP A 35 2.457 -4.918 7.276 1.00 0.00 O ATOM 0 H ASP A 35 4.488 -1.288 3.990 1.00 0.00 H new ATOM 0 HA ASP A 35 3.040 -2.909 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.801 -3.075 6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.393 -2.634 7.437 1.00 0.00 H new ATOM 549 N ASP A 36 0.968 -1.472 4.717 1.00 0.00 N ATOM 550 CA ASP A 36 -0.351 -0.894 4.966 1.00 0.00 C ATOM 551 C ASP A 36 -1.365 -1.424 3.946 1.00 0.00 C ATOM 552 O ASP A 36 -1.039 -1.584 2.770 1.00 0.00 O ATOM 553 CB ASP A 36 -0.295 0.632 4.867 1.00 0.00 C ATOM 554 CG ASP A 36 0.447 1.193 6.075 1.00 0.00 C ATOM 555 OD1 ASP A 36 1.660 1.070 6.110 1.00 0.00 O ATOM 556 OD2 ASP A 36 -0.208 1.738 6.948 1.00 0.00 O ATOM 0 H ASP A 36 1.148 -1.721 3.744 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.661 -1.180 5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.209 0.929 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.304 1.042 4.824 1.00 0.00 H new ATOM 561 N PRO A 37 -2.604 -1.705 4.379 1.00 0.00 N ATOM 562 CA PRO A 37 -3.649 -2.221 3.482 1.00 0.00 C ATOM 563 C PRO A 37 -4.169 -1.162 2.511 1.00 0.00 C ATOM 564 O PRO A 37 -4.227 -1.386 1.302 1.00 0.00 O ATOM 565 CB PRO A 37 -4.760 -2.667 4.429 1.00 0.00 C ATOM 566 CG PRO A 37 -4.570 -1.853 5.663 1.00 0.00 C ATOM 567 CD PRO A 37 -3.102 -1.551 5.758 1.00 0.00 C ATOM 0 HA PRO A 37 -3.268 -3.022 2.848 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.743 -2.495 3.991 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.689 -3.733 4.645 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.152 -0.933 5.613 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.911 -2.399 6.543 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.928 -0.542 6.133 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.599 -2.236 6.441 1.00 0.00 H new ATOM 575 N LYS A 38 -4.551 -0.007 3.055 1.00 0.00 N ATOM 576 CA LYS A 38 -5.073 1.087 2.234 1.00 0.00 C ATOM 577 C LYS A 38 -4.101 1.444 1.109 1.00 0.00 C ATOM 578 O LYS A 38 -4.509 1.755 -0.009 1.00 0.00 O ATOM 579 CB LYS A 38 -5.311 2.336 3.089 1.00 0.00 C ATOM 580 CG LYS A 38 -6.130 1.975 4.330 1.00 0.00 C ATOM 581 CD LYS A 38 -6.697 3.255 4.950 1.00 0.00 C ATOM 582 CE LYS A 38 -8.051 2.955 5.596 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.804 4.209 5.886 1.00 0.00 N ATOM 0 H LYS A 38 -4.510 0.196 4.054 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.015 0.748 1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.356 2.770 3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.836 3.092 2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.940 1.297 4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.504 1.452 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.006 3.647 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.810 4.023 4.185 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.639 2.320 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.900 2.397 6.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.634 3.988 6.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.188 4.874 6.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.116 4.641 4.993 1.00 0.00 H new ATOM 597 N LEU A 39 -2.809 1.401 1.422 1.00 0.00 N ATOM 598 CA LEU A 39 -1.781 1.727 0.437 1.00 0.00 C ATOM 599 C LEU A 39 -1.772 0.705 -0.699 1.00 0.00 C ATOM 600 O LEU A 39 -1.733 1.064 -1.876 1.00 0.00 O ATOM 601 CB LEU A 39 -0.401 1.759 1.103 1.00 0.00 C ATOM 602 CG LEU A 39 0.510 2.905 0.660 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.857 2.791 1.375 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.728 2.827 -0.853 1.00 0.00 C ATOM 0 H LEU A 39 -2.450 1.146 2.342 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.009 2.710 0.025 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.538 1.822 2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.105 0.815 0.900 1.00 0.00 H new ATOM 0 HG LEU A 39 0.044 3.858 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.507 3.607 1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.703 2.846 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.323 1.838 1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.377 3.643 -1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.194 1.874 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.232 2.908 -1.364 1.00 0.00 H new ATOM 616 N LYS A 40 -1.800 -0.573 -0.332 1.00 0.00 N ATOM 617 CA LYS A 40 -1.786 -1.644 -1.326 1.00 0.00 C ATOM 618 C LYS A 40 -3.022 -1.575 -2.219 1.00 0.00 C ATOM 619 O LYS A 40 -2.928 -1.650 -3.444 1.00 0.00 O ATOM 620 CB LYS A 40 -1.750 -3.009 -0.638 1.00 0.00 C ATOM 621 CG LYS A 40 -0.428 -3.167 0.117 1.00 0.00 C ATOM 622 CD LYS A 40 -0.670 -3.939 1.414 1.00 0.00 C ATOM 623 CE LYS A 40 -0.467 -5.434 1.165 1.00 0.00 C ATOM 624 NZ LYS A 40 0.041 -6.125 2.385 1.00 0.00 N ATOM 0 H LYS A 40 -1.832 -0.891 0.637 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.893 -1.515 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.588 -3.102 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.856 -3.803 -1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.296 -3.695 -0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.004 -2.187 0.338 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.014 -3.593 2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.681 -3.754 1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.410 -5.884 0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.237 -5.575 0.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.168 -7.137 2.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.953 -5.710 2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.643 -6.010 3.160 1.00 0.00 H new ATOM 638 N GLU A 41 -4.183 -1.441 -1.586 1.00 0.00 N ATOM 639 CA GLU A 41 -5.445 -1.374 -2.320 1.00 0.00 C ATOM 640 C GLU A 41 -5.490 -0.139 -3.221 1.00 0.00 C ATOM 641 O GLU A 41 -5.712 -0.243 -4.428 1.00 0.00 O ATOM 642 CB GLU A 41 -6.620 -1.327 -1.333 1.00 0.00 C ATOM 643 CG GLU A 41 -7.387 -2.654 -1.369 1.00 0.00 C ATOM 644 CD GLU A 41 -6.838 -3.588 -0.297 1.00 0.00 C ATOM 645 OE1 GLU A 41 -6.492 -3.100 0.767 1.00 0.00 O ATOM 646 OE2 GLU A 41 -6.769 -4.778 -0.555 1.00 0.00 O ATOM 0 H GLU A 41 -4.278 -1.377 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.522 -2.264 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.252 -1.137 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.288 -0.504 -1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -8.450 -2.477 -1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.291 -3.115 -2.352 1.00 0.00 H new ATOM 653 N HIS A 42 -5.291 1.035 -2.619 1.00 0.00 N ATOM 654 CA HIS A 42 -5.322 2.300 -3.366 1.00 0.00 C ATOM 655 C HIS A 42 -4.476 2.231 -4.639 1.00 0.00 C ATOM 656 O HIS A 42 -4.898 2.679 -5.705 1.00 0.00 O ATOM 657 CB HIS A 42 -4.801 3.443 -2.494 1.00 0.00 C ATOM 658 CG HIS A 42 -5.290 4.756 -3.041 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.425 5.716 -3.539 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.551 5.280 -3.174 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.169 6.760 -3.945 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.473 6.547 -3.745 1.00 0.00 N ATOM 0 H HIS A 42 -5.107 1.139 -1.621 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.360 2.480 -3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.142 3.315 -1.467 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.711 3.430 -2.472 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.465 4.785 -2.880 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.762 7.661 -4.380 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.245 7.177 -3.964 1.00 0.00 H new ATOM 670 N ALA A 43 -3.274 1.670 -4.516 1.00 0.00 N ATOM 671 CA ALA A 43 -2.369 1.552 -5.663 1.00 0.00 C ATOM 672 C ALA A 43 -3.052 0.853 -6.839 1.00 0.00 C ATOM 673 O ALA A 43 -3.205 1.426 -7.918 1.00 0.00 O ATOM 674 CB ALA A 43 -1.121 0.759 -5.273 1.00 0.00 C ATOM 0 H ALA A 43 -2.905 1.293 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.089 2.561 -5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.457 0.679 -6.134 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.603 1.271 -4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.412 -0.239 -4.945 1.00 0.00 H new ATOM 680 N PHE A 44 -3.463 -0.393 -6.616 1.00 0.00 N ATOM 681 CA PHE A 44 -4.133 -1.171 -7.660 1.00 0.00 C ATOM 682 C PHE A 44 -5.382 -0.441 -8.176 1.00 0.00 C ATOM 683 O PHE A 44 -5.834 -0.681 -9.295 1.00 0.00 O ATOM 684 CB PHE A 44 -4.521 -2.556 -7.116 1.00 0.00 C ATOM 685 CG PHE A 44 -5.235 -3.368 -8.178 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.687 -3.492 -9.462 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.448 -3.997 -7.871 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.356 -4.245 -10.436 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.114 -4.750 -8.846 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.567 -4.874 -10.128 1.00 0.00 C ATOM 0 H PHE A 44 -3.346 -0.884 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.440 -1.292 -8.493 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.628 -3.086 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.165 -2.442 -6.244 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.751 -3.008 -9.700 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.870 -3.901 -6.882 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.936 -4.340 -11.426 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.049 -5.235 -8.609 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.080 -5.455 -10.880 1.00 0.00 H new ATOM 700 N CYS A 45 -5.935 0.446 -7.351 1.00 0.00 N ATOM 701 CA CYS A 45 -7.129 1.191 -7.742 1.00 0.00 C ATOM 702 C CYS A 45 -6.831 2.133 -8.908 1.00 0.00 C ATOM 703 O CYS A 45 -7.681 2.364 -9.767 1.00 0.00 O ATOM 704 CB CYS A 45 -7.652 2.013 -6.563 1.00 0.00 C ATOM 705 SG CYS A 45 -9.350 2.542 -6.901 1.00 0.00 S ATOM 0 H CYS A 45 -5.581 0.664 -6.420 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.883 0.467 -8.052 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.620 1.419 -5.649 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.015 2.882 -6.401 1.00 0.00 H new ATOM 710 N ILE A 46 -5.618 2.681 -8.922 1.00 0.00 N ATOM 711 CA ILE A 46 -5.225 3.609 -9.983 1.00 0.00 C ATOM 712 C ILE A 46 -4.477 2.859 -11.095 1.00 0.00 C ATOM 713 O ILE A 46 -4.491 3.278 -12.251 1.00 0.00 O ATOM 714 CB ILE A 46 -4.359 4.754 -9.394 1.00 0.00 C ATOM 715 CG1 ILE A 46 -5.269 5.763 -8.675 1.00 0.00 C ATOM 716 CG2 ILE A 46 -3.594 5.507 -10.496 1.00 0.00 C ATOM 717 CD1 ILE A 46 -6.000 5.085 -7.514 1.00 0.00 C ATOM 0 H ILE A 46 -4.898 2.503 -8.222 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.119 4.052 -10.421 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.643 4.306 -8.705 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.675 6.597 -8.302 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.993 6.176 -9.378 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.998 6.302 -10.047 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.937 4.814 -11.022 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.304 5.940 -11.201 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.641 5.811 -7.014 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.609 4.266 -7.896 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.271 4.694 -6.804 1.00 0.00 H new ATOM 729 N LEU A 47 -3.832 1.748 -10.741 1.00 0.00 N ATOM 730 CA LEU A 47 -3.096 0.962 -11.734 1.00 0.00 C ATOM 731 C LEU A 47 -4.041 0.497 -12.843 1.00 0.00 C ATOM 732 O LEU A 47 -3.675 0.451 -14.016 1.00 0.00 O ATOM 733 CB LEU A 47 -2.440 -0.260 -11.072 1.00 0.00 C ATOM 734 CG LEU A 47 -0.914 -0.215 -10.966 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.307 -0.269 -12.367 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.488 1.081 -10.273 1.00 0.00 C ATOM 0 H LEU A 47 -3.803 1.376 -9.792 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.318 1.593 -12.164 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.853 -0.373 -10.070 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.721 -1.150 -11.635 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.564 -1.068 -10.385 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.780 -0.237 -12.294 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.611 -1.193 -12.860 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.657 0.584 -12.948 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.599 1.113 -10.198 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.837 1.935 -10.853 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.922 1.119 -9.274 1.00 0.00 H new ATOM 748 N LYS A 48 -5.264 0.156 -12.448 1.00 0.00 N ATOM 749 CA LYS A 48 -6.269 -0.304 -13.401 1.00 0.00 C ATOM 750 C LYS A 48 -6.680 0.831 -14.336 1.00 0.00 C ATOM 751 O LYS A 48 -6.875 0.627 -15.534 1.00 0.00 O ATOM 752 CB LYS A 48 -7.509 -0.812 -12.658 1.00 0.00 C ATOM 753 CG LYS A 48 -8.124 -1.990 -13.417 1.00 0.00 C ATOM 754 CD LYS A 48 -8.893 -2.882 -12.440 1.00 0.00 C ATOM 755 CE LYS A 48 -10.085 -2.112 -11.868 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.215 -3.025 -11.536 1.00 0.00 N ATOM 0 H LYS A 48 -5.582 0.189 -11.479 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.835 -1.114 -13.987 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.238 -1.120 -11.648 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.240 -0.009 -12.561 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.793 -1.625 -14.196 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.342 -2.565 -13.912 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.239 -3.782 -12.949 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.235 -3.205 -11.633 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.776 -1.573 -10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.418 -1.366 -12.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.007 -2.472 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.525 -3.521 -12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.903 -3.721 -10.829 1.00 0.00 H new ATOM 770 N ARG A 49 -6.816 2.030 -13.773 1.00 0.00 N ATOM 771 CA ARG A 49 -7.212 3.192 -14.567 1.00 0.00 C ATOM 772 C ARG A 49 -6.024 3.752 -15.350 1.00 0.00 C ATOM 773 O ARG A 49 -6.188 4.321 -16.428 1.00 0.00 O ATOM 774 CB ARG A 49 -7.773 4.290 -13.662 1.00 0.00 C ATOM 775 CG ARG A 49 -9.273 4.071 -13.465 1.00 0.00 C ATOM 776 CD ARG A 49 -9.676 4.529 -12.063 1.00 0.00 C ATOM 777 NE ARG A 49 -9.999 5.953 -12.059 1.00 0.00 N ATOM 778 CZ ARG A 49 -9.202 6.834 -11.459 1.00 0.00 C ATOM 779 NH1 ARG A 49 -9.046 6.797 -10.164 1.00 0.00 N ATOM 780 NH2 ARG A 49 -8.577 7.735 -12.167 1.00 0.00 N ATOM 0 H ARG A 49 -6.660 2.222 -12.783 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.980 2.866 -15.269 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -7.263 4.278 -12.699 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.593 5.269 -14.106 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.834 4.627 -14.216 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.518 3.017 -13.599 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.537 3.955 -11.721 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.863 4.333 -11.363 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.848 6.277 -12.523 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.535 6.093 -9.611 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -8.435 7.472 -9.704 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -8.700 7.763 -13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.966 8.411 -11.708 1.00 0.00 H new ATOM 794 N ALA A 50 -4.827 3.587 -14.792 1.00 0.00 N ATOM 795 CA ALA A 50 -3.615 4.085 -15.442 1.00 0.00 C ATOM 796 C ALA A 50 -3.440 3.466 -16.829 1.00 0.00 C ATOM 797 O ALA A 50 -2.827 4.061 -17.714 1.00 0.00 O ATOM 798 CB ALA A 50 -2.383 3.758 -14.596 1.00 0.00 C ATOM 0 H ALA A 50 -4.670 3.117 -13.900 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.718 5.165 -15.544 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.489 4.135 -15.093 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.479 4.228 -13.617 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.302 2.678 -14.474 1.00 0.00 H new ATOM 804 N GLY A 51 -3.983 2.263 -17.009 1.00 0.00 N ATOM 805 CA GLY A 51 -3.875 1.575 -18.290 1.00 0.00 C ATOM 806 C GLY A 51 -2.668 0.643 -18.302 1.00 0.00 C ATOM 807 O GLY A 51 -2.051 0.412 -19.342 1.00 0.00 O ATOM 0 H GLY A 51 -4.496 1.751 -16.292 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.784 1.004 -18.479 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.785 2.305 -19.094 1.00 0.00 H new ATOM 811 N PHE A 52 -2.341 0.108 -17.129 1.00 0.00 N ATOM 812 CA PHE A 52 -1.206 -0.803 -17.003 1.00 0.00 C ATOM 813 C PHE A 52 -1.702 -2.221 -16.746 1.00 0.00 C ATOM 814 O PHE A 52 -1.596 -3.099 -17.603 1.00 0.00 O ATOM 815 CB PHE A 52 -0.306 -0.372 -15.842 1.00 0.00 C ATOM 816 CG PHE A 52 0.719 0.620 -16.338 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.557 0.289 -17.409 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.831 1.873 -15.722 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.505 1.211 -17.866 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.780 2.795 -16.181 1.00 0.00 C ATOM 821 CZ PHE A 52 2.618 2.463 -17.252 1.00 0.00 C ATOM 0 H PHE A 52 -2.841 0.287 -16.258 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.637 -0.775 -17.932 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.906 0.075 -15.050 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.192 -1.241 -15.412 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.472 -0.678 -17.883 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.186 2.128 -14.894 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.150 0.956 -18.694 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.865 3.762 -15.709 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.352 3.173 -17.604 1.00 0.00 H new ATOM 831 N ILE A 53 -2.248 -2.430 -15.553 1.00 0.00 N ATOM 832 CA ILE A 53 -2.767 -3.740 -15.179 1.00 0.00 C ATOM 833 C ILE A 53 -4.164 -3.939 -15.773 1.00 0.00 C ATOM 834 O ILE A 53 -4.903 -2.978 -15.987 1.00 0.00 O ATOM 835 CB ILE A 53 -2.817 -3.871 -13.648 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.243 -5.293 -13.266 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.813 -2.864 -13.059 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.505 -5.723 -11.994 1.00 0.00 C ATOM 0 H ILE A 53 -2.342 -1.714 -14.833 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.104 -4.509 -15.575 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.825 -3.665 -13.246 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.320 -5.330 -13.104 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.019 -5.982 -14.080 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.838 -2.969 -11.974 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.504 -1.852 -13.319 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.807 -3.055 -13.465 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.808 -6.734 -11.722 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.430 -5.702 -12.172 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.752 -5.040 -11.182 1.00 0.00 H new ATOM 850 N ASP A 54 -4.514 -5.192 -16.045 1.00 0.00 N ATOM 851 CA ASP A 54 -5.823 -5.492 -16.622 1.00 0.00 C ATOM 852 C ASP A 54 -6.844 -5.793 -15.527 1.00 0.00 C ATOM 853 O ASP A 54 -6.494 -5.996 -14.364 1.00 0.00 O ATOM 854 CB ASP A 54 -5.734 -6.688 -17.574 1.00 0.00 C ATOM 855 CG ASP A 54 -5.087 -7.865 -16.858 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.808 -8.617 -16.223 1.00 0.00 O ATOM 857 OD2 ASP A 54 -3.877 -7.997 -16.954 1.00 0.00 O ATOM 0 H ASP A 54 -3.922 -6.006 -15.879 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.147 -4.613 -17.179 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.730 -6.964 -17.921 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.151 -6.421 -18.456 1.00 0.00 H new ATOM 862 N ALA A 55 -8.117 -5.813 -15.921 1.00 0.00 N ATOM 863 CA ALA A 55 -9.210 -6.078 -14.984 1.00 0.00 C ATOM 864 C ALA A 55 -9.003 -7.391 -14.225 1.00 0.00 C ATOM 865 O ALA A 55 -9.566 -7.589 -13.147 1.00 0.00 O ATOM 866 CB ALA A 55 -10.540 -6.150 -15.736 1.00 0.00 C ATOM 0 H ALA A 55 -8.417 -5.649 -16.882 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.224 -5.259 -14.265 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.347 -6.348 -15.030 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.724 -5.202 -16.241 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.498 -6.952 -16.473 1.00 0.00 H new ATOM 872 N SER A 56 -8.201 -8.292 -14.793 1.00 0.00 N ATOM 873 CA SER A 56 -7.949 -9.581 -14.147 1.00 0.00 C ATOM 874 C SER A 56 -6.740 -9.520 -13.205 1.00 0.00 C ATOM 875 O SER A 56 -6.195 -10.555 -12.819 1.00 0.00 O ATOM 876 CB SER A 56 -7.698 -10.661 -15.198 1.00 0.00 C ATOM 877 OG SER A 56 -8.100 -11.922 -14.679 1.00 0.00 O ATOM 0 H SER A 56 -7.722 -8.158 -15.683 1.00 0.00 H new ATOM 0 HA SER A 56 -8.836 -9.824 -13.562 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.254 -10.435 -16.108 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.642 -10.685 -15.467 1.00 0.00 H new ATOM 0 HG SER A 56 -7.662 -12.075 -13.816 1.00 0.00 H new ATOM 883 N GLY A 57 -6.330 -8.309 -12.825 1.00 0.00 N ATOM 884 CA GLY A 57 -5.194 -8.149 -11.921 1.00 0.00 C ATOM 885 C GLY A 57 -3.918 -8.778 -12.486 1.00 0.00 C ATOM 886 O GLY A 57 -2.972 -9.047 -11.745 1.00 0.00 O ATOM 0 H GLY A 57 -6.762 -7.435 -13.126 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.024 -7.088 -11.737 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.429 -8.606 -10.960 1.00 0.00 H new ATOM 890 N GLU A 58 -3.888 -9.001 -13.801 1.00 0.00 N ATOM 891 CA GLU A 58 -2.705 -9.587 -14.428 1.00 0.00 C ATOM 892 C GLU A 58 -1.690 -8.489 -14.736 1.00 0.00 C ATOM 893 O GLU A 58 -2.007 -7.498 -15.393 1.00 0.00 O ATOM 894 CB GLU A 58 -3.084 -10.316 -15.728 1.00 0.00 C ATOM 895 CG GLU A 58 -3.048 -11.831 -15.504 1.00 0.00 C ATOM 896 CD GLU A 58 -2.872 -12.539 -16.842 1.00 0.00 C ATOM 897 OE1 GLU A 58 -1.789 -12.454 -17.398 1.00 0.00 O ATOM 898 OE2 GLU A 58 -3.823 -13.156 -17.294 1.00 0.00 O ATOM 0 H GLU A 58 -4.654 -8.789 -14.441 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.268 -10.309 -13.738 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.080 -10.010 -16.050 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.393 -10.041 -16.525 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.229 -12.091 -14.833 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.970 -12.160 -15.025 1.00 0.00 H new ATOM 905 N PHE A 59 -0.470 -8.671 -14.242 1.00 0.00 N ATOM 906 CA PHE A 59 0.582 -7.679 -14.457 1.00 0.00 C ATOM 907 C PHE A 59 0.987 -7.614 -15.927 1.00 0.00 C ATOM 908 O PHE A 59 1.038 -8.627 -16.624 1.00 0.00 O ATOM 909 CB PHE A 59 1.819 -8.009 -13.616 1.00 0.00 C ATOM 910 CG PHE A 59 2.236 -9.442 -13.853 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.936 -9.785 -15.015 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.922 -10.427 -12.908 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.325 -11.112 -15.233 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.311 -11.754 -13.126 1.00 0.00 C ATOM 915 CZ PHE A 59 3.011 -12.096 -14.287 1.00 0.00 C ATOM 0 H PHE A 59 -0.185 -9.485 -13.697 1.00 0.00 H new ATOM 0 HA PHE A 59 0.181 -6.712 -14.154 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.636 -7.336 -13.876 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.602 -7.854 -12.559 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.176 -9.025 -15.744 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.380 -10.163 -12.012 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.866 -11.377 -16.129 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.070 -12.514 -12.397 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.310 -13.120 -14.455 1.00 0.00 H new ATOM 925 N GLN A 60 1.285 -6.398 -16.381 1.00 0.00 N ATOM 926 CA GLN A 60 1.700 -6.179 -17.765 1.00 0.00 C ATOM 927 C GLN A 60 2.977 -5.343 -17.794 1.00 0.00 C ATOM 928 O GLN A 60 2.937 -4.125 -17.971 1.00 0.00 O ATOM 929 CB GLN A 60 0.605 -5.450 -18.545 1.00 0.00 C ATOM 930 CG GLN A 60 -0.336 -6.475 -19.183 1.00 0.00 C ATOM 931 CD GLN A 60 -1.640 -5.791 -19.578 1.00 0.00 C ATOM 932 OE1 GLN A 60 -1.768 -5.274 -20.688 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.627 -5.757 -18.725 1.00 0.00 N ATOM 0 H GLN A 60 1.247 -5.552 -15.813 1.00 0.00 H new ATOM 0 HA GLN A 60 1.881 -7.149 -18.229 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.046 -4.792 -17.879 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.050 -4.820 -19.315 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.134 -6.920 -20.060 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.536 -7.286 -18.483 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.521 -6.185 -17.805 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.504 -5.302 -18.978 1.00 0.00 H new ATOM 942 N LEU A 61 4.108 -6.013 -17.600 1.00 0.00 N ATOM 943 CA LEU A 61 5.400 -5.330 -17.584 1.00 0.00 C ATOM 944 C LEU A 61 5.820 -4.885 -18.985 1.00 0.00 C ATOM 945 O LEU A 61 6.608 -3.951 -19.137 1.00 0.00 O ATOM 946 CB LEU A 61 6.475 -6.252 -17.011 1.00 0.00 C ATOM 947 CG LEU A 61 6.053 -7.070 -15.786 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.262 -7.823 -15.232 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.505 -6.130 -14.710 1.00 0.00 C ATOM 0 H LEU A 61 4.159 -7.021 -17.452 1.00 0.00 H new ATOM 0 HA LEU A 61 5.293 -4.445 -16.957 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.795 -6.940 -17.794 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.342 -5.649 -16.743 1.00 0.00 H new ATOM 0 HG LEU A 61 5.282 -7.784 -16.076 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.961 -8.404 -14.361 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.655 -8.493 -15.997 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.034 -7.110 -14.943 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.204 -6.711 -13.838 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.277 -5.417 -14.422 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.642 -5.592 -15.102 1.00 0.00 H new ATOM 961 N ASP A 62 5.295 -5.557 -20.008 1.00 0.00 N ATOM 962 CA ASP A 62 5.638 -5.208 -21.388 1.00 0.00 C ATOM 963 C ASP A 62 5.263 -3.759 -21.688 1.00 0.00 C ATOM 964 O ASP A 62 5.919 -3.084 -22.481 1.00 0.00 O ATOM 965 CB ASP A 62 4.910 -6.127 -22.371 1.00 0.00 C ATOM 966 CG ASP A 62 5.685 -7.432 -22.520 1.00 0.00 C ATOM 967 OD1 ASP A 62 6.896 -7.366 -22.656 1.00 0.00 O ATOM 968 OD2 ASP A 62 5.057 -8.477 -22.494 1.00 0.00 O ATOM 0 H ASP A 62 4.641 -6.334 -19.912 1.00 0.00 H new ATOM 0 HA ASP A 62 6.715 -5.332 -21.505 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.900 -6.331 -22.015 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.814 -5.637 -23.340 1.00 0.00 H new ATOM 973 N HIS A 63 4.202 -3.286 -21.038 1.00 0.00 N ATOM 974 CA HIS A 63 3.748 -1.913 -21.235 1.00 0.00 C ATOM 975 C HIS A 63 4.414 -0.982 -20.223 1.00 0.00 C ATOM 976 O HIS A 63 4.659 0.191 -20.503 1.00 0.00 O ATOM 977 CB HIS A 63 2.229 -1.823 -21.073 1.00 0.00 C ATOM 978 CG HIS A 63 1.566 -2.127 -22.389 1.00 0.00 C ATOM 979 ND1 HIS A 63 0.762 -3.241 -22.572 1.00 0.00 N ATOM 980 CD2 HIS A 63 1.577 -1.471 -23.595 1.00 0.00 C ATOM 981 CE1 HIS A 63 0.326 -3.223 -23.845 1.00 0.00 C ATOM 982 NE2 HIS A 63 0.794 -2.165 -24.513 1.00 0.00 N ATOM 0 H HIS A 63 3.646 -3.828 -20.377 1.00 0.00 H new ATOM 0 HA HIS A 63 4.023 -1.608 -22.245 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.891 -2.527 -20.312 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.947 -0.826 -20.733 1.00 0.00 H new ATOM 0 HD2 HIS A 63 2.112 -0.556 -23.800 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -0.323 -3.972 -24.274 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.616 -1.919 -25.487 1.00 0.00 H new ATOM 990 N ILE A 64 4.702 -1.524 -19.041 1.00 0.00 N ATOM 991 CA ILE A 64 5.339 -0.742 -17.984 1.00 0.00 C ATOM 992 C ILE A 64 6.767 -0.361 -18.382 1.00 0.00 C ATOM 993 O ILE A 64 7.151 0.806 -18.319 1.00 0.00 O ATOM 994 CB ILE A 64 5.368 -1.555 -16.678 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.932 -1.861 -16.246 1.00 0.00 C ATOM 996 CG2 ILE A 64 6.065 -0.763 -15.565 1.00 0.00 C ATOM 997 CD1 ILE A 64 3.926 -3.055 -15.290 1.00 0.00 C ATOM 0 H ILE A 64 4.506 -2.494 -18.793 1.00 0.00 H new ATOM 0 HA ILE A 64 4.762 0.170 -17.833 1.00 0.00 H new ATOM 0 HB ILE A 64 5.918 -2.480 -16.852 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.495 -0.990 -15.758 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.318 -2.079 -17.120 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.076 -1.354 -14.649 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.089 -0.539 -15.864 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.527 0.168 -15.389 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.902 -3.271 -14.984 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.346 -3.926 -15.793 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.526 -2.820 -14.411 1.00 0.00 H new ATOM 1009 N LYS A 65 7.552 -1.363 -18.773 1.00 0.00 N ATOM 1010 CA LYS A 65 8.947 -1.133 -19.158 1.00 0.00 C ATOM 1011 C LYS A 65 9.068 -0.034 -20.217 1.00 0.00 C ATOM 1012 O LYS A 65 9.931 0.836 -20.127 1.00 0.00 O ATOM 1013 CB LYS A 65 9.578 -2.425 -19.692 1.00 0.00 C ATOM 1014 CG LYS A 65 8.832 -2.903 -20.944 1.00 0.00 C ATOM 1015 CD LYS A 65 9.100 -4.396 -21.168 1.00 0.00 C ATOM 1016 CE LYS A 65 10.592 -4.622 -21.422 1.00 0.00 C ATOM 1017 NZ LYS A 65 10.819 -5.758 -22.361 1.00 0.00 N ATOM 0 H LYS A 65 7.251 -2.336 -18.832 1.00 0.00 H new ATOM 0 HA LYS A 65 9.478 -0.809 -18.263 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.628 -2.254 -19.929 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.546 -3.198 -18.924 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.762 -2.729 -20.830 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.157 -2.331 -21.813 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.779 -4.967 -20.297 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.519 -4.756 -22.017 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.034 -3.714 -21.833 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.097 -4.823 -20.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.840 -5.885 -22.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.418 -6.628 -21.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.357 -5.554 -23.270 1.00 0.00 H new ATOM 1031 N THR A 66 8.199 -0.086 -21.219 1.00 0.00 N ATOM 1032 CA THR A 66 8.221 0.911 -22.288 1.00 0.00 C ATOM 1033 C THR A 66 7.945 2.308 -21.738 1.00 0.00 C ATOM 1034 O THR A 66 8.735 3.233 -21.924 1.00 0.00 O ATOM 1035 CB THR A 66 7.177 0.578 -23.354 1.00 0.00 C ATOM 1036 OG1 THR A 66 6.980 -0.829 -23.394 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.659 1.067 -24.722 1.00 0.00 C ATOM 0 H THR A 66 7.476 -0.799 -21.316 1.00 0.00 H new ATOM 0 HA THR A 66 9.215 0.894 -22.734 1.00 0.00 H new ATOM 0 HB THR A 66 6.237 1.073 -23.108 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.243 -1.073 -22.796 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.911 0.827 -25.478 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.810 2.146 -24.690 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.599 0.576 -24.973 1.00 0.00 H new ATOM 1045 N LYS A 67 6.804 2.452 -21.071 1.00 0.00 N ATOM 1046 CA LYS A 67 6.419 3.744 -20.510 1.00 0.00 C ATOM 1047 C LYS A 67 7.427 4.209 -19.465 1.00 0.00 C ATOM 1048 O LYS A 67 7.779 5.388 -19.406 1.00 0.00 O ATOM 1049 CB LYS A 67 5.037 3.654 -19.863 1.00 0.00 C ATOM 1050 CG LYS A 67 3.970 3.585 -20.956 1.00 0.00 C ATOM 1051 CD LYS A 67 2.585 3.756 -20.331 1.00 0.00 C ATOM 1052 CE LYS A 67 1.533 3.845 -21.437 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.315 5.256 -21.866 1.00 0.00 N ATOM 0 H LYS A 67 6.136 1.699 -20.906 1.00 0.00 H new ATOM 0 HA LYS A 67 6.396 4.465 -21.327 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.978 2.772 -19.225 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.865 4.521 -19.225 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.144 4.364 -21.698 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.030 2.629 -21.477 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.365 2.916 -19.673 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.560 4.657 -19.718 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.850 3.248 -22.292 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.593 3.421 -21.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.596 5.283 -22.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.990 5.819 -21.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.207 5.651 -22.226 1.00 0.00 H new ATOM 1067 N PHE A 68 7.887 3.275 -18.636 1.00 0.00 N ATOM 1068 CA PHE A 68 8.852 3.609 -17.594 1.00 0.00 C ATOM 1069 C PHE A 68 10.195 4.006 -18.205 1.00 0.00 C ATOM 1070 O PHE A 68 10.951 4.781 -17.618 1.00 0.00 O ATOM 1071 CB PHE A 68 9.055 2.420 -16.652 1.00 0.00 C ATOM 1072 CG PHE A 68 8.003 2.448 -15.566 1.00 0.00 C ATOM 1073 CD1 PHE A 68 6.645 2.527 -15.903 1.00 0.00 C ATOM 1074 CD2 PHE A 68 8.386 2.395 -14.220 1.00 0.00 C ATOM 1075 CE1 PHE A 68 5.673 2.553 -14.894 1.00 0.00 C ATOM 1076 CE2 PHE A 68 7.414 2.421 -13.213 1.00 0.00 C ATOM 1077 CZ PHE A 68 6.058 2.501 -13.550 1.00 0.00 C ATOM 0 H PHE A 68 7.611 2.293 -18.665 1.00 0.00 H new ATOM 0 HA PHE A 68 8.456 4.453 -17.030 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.991 1.486 -17.210 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.050 2.460 -16.209 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.348 2.568 -16.940 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.432 2.334 -13.959 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.626 2.613 -15.154 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.711 2.379 -12.175 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.309 2.523 -12.772 1.00 0.00 H new ATOM 1087 N LYS A 69 10.486 3.474 -19.391 1.00 0.00 N ATOM 1088 CA LYS A 69 11.743 3.792 -20.064 1.00 0.00 C ATOM 1089 C LYS A 69 11.704 5.213 -20.619 1.00 0.00 C ATOM 1090 O LYS A 69 12.470 6.080 -20.203 1.00 0.00 O ATOM 1091 CB LYS A 69 12.003 2.819 -21.215 1.00 0.00 C ATOM 1092 CG LYS A 69 13.477 2.886 -21.617 1.00 0.00 C ATOM 1093 CD LYS A 69 14.258 1.797 -20.881 1.00 0.00 C ATOM 1094 CE LYS A 69 14.350 0.550 -21.761 1.00 0.00 C ATOM 1095 NZ LYS A 69 15.488 0.643 -22.720 1.00 0.00 N ATOM 0 H LYS A 69 9.879 2.831 -19.899 1.00 0.00 H new ATOM 0 HA LYS A 69 12.544 3.705 -19.330 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.743 1.804 -20.913 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.371 3.070 -22.067 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.577 2.755 -22.694 1.00 0.00 H new ATOM 0 HG3 LYS A 69 13.886 3.867 -21.376 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.257 2.155 -20.635 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.765 1.555 -19.939 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.473 -0.332 -21.133 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.418 0.422 -22.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.523 -0.218 -23.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.357 1.471 -23.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.379 0.741 -22.193 1.00 0.00 H new ATOM 1109 N GLU A 70 10.796 5.440 -21.569 1.00 0.00 N ATOM 1110 CA GLU A 70 10.652 6.762 -22.190 1.00 0.00 C ATOM 1111 C GLU A 70 10.468 7.850 -21.133 1.00 0.00 C ATOM 1112 O GLU A 70 9.740 7.673 -20.157 1.00 0.00 O ATOM 1113 CB GLU A 70 9.446 6.779 -23.132 1.00 0.00 C ATOM 1114 CG GLU A 70 8.188 6.365 -22.365 1.00 0.00 C ATOM 1115 CD GLU A 70 7.037 6.155 -23.343 1.00 0.00 C ATOM 1116 OE1 GLU A 70 7.295 5.671 -24.433 1.00 0.00 O ATOM 1117 OE2 GLU A 70 5.917 6.479 -22.987 1.00 0.00 O ATOM 0 H GLU A 70 10.153 4.733 -21.925 1.00 0.00 H new ATOM 0 HA GLU A 70 11.564 6.962 -22.752 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.315 7.776 -23.554 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.615 6.099 -23.967 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.376 5.448 -21.807 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.925 7.133 -21.637 1.00 0.00 H new ATOM 1210 N LYS A 77 17.923 0.902 -17.134 1.00 0.00 N ATOM 1211 CA LYS A 77 17.780 -0.098 -16.076 1.00 0.00 C ATOM 1212 C LYS A 77 16.306 -0.390 -15.763 1.00 0.00 C ATOM 1213 O LYS A 77 16.004 -1.260 -14.947 1.00 0.00 O ATOM 1214 CB LYS A 77 18.471 0.381 -14.797 1.00 0.00 C ATOM 1215 CG LYS A 77 19.935 0.712 -15.101 1.00 0.00 C ATOM 1216 CD LYS A 77 20.803 0.351 -13.894 1.00 0.00 C ATOM 1217 CE LYS A 77 21.347 -1.069 -14.062 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.590 -1.274 -13.266 1.00 0.00 N ATOM 0 HA LYS A 77 18.247 -1.015 -16.436 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.962 1.261 -14.404 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.413 -0.390 -14.029 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.268 0.160 -15.980 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.038 1.772 -15.332 1.00 0.00 H new ATOM 0 HD2 LYS A 77 21.627 1.059 -13.801 1.00 0.00 H new ATOM 0 HD3 LYS A 77 20.217 0.421 -12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.591 -1.789 -13.750 1.00 0.00 H new ATOM 0 HE3 LYS A 77 21.553 -1.259 -15.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 22.933 -2.246 -13.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 23.319 -0.603 -13.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 22.387 -1.116 -12.258 1.00 0.00 H new ATOM 1232 N VAL A 78 15.388 0.337 -16.408 1.00 0.00 N ATOM 1233 CA VAL A 78 13.959 0.126 -16.170 1.00 0.00 C ATOM 1234 C VAL A 78 13.569 -1.324 -16.488 1.00 0.00 C ATOM 1235 O VAL A 78 12.864 -1.966 -15.716 1.00 0.00 O ATOM 1236 CB VAL A 78 13.130 1.111 -17.025 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.636 0.749 -17.014 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.287 2.521 -16.450 1.00 0.00 C ATOM 0 H VAL A 78 15.605 1.065 -17.088 1.00 0.00 H new ATOM 0 HA VAL A 78 13.747 0.312 -15.117 1.00 0.00 H new ATOM 0 HB VAL A 78 13.495 1.058 -18.051 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.084 1.463 -17.625 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.502 -0.255 -17.418 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.261 0.782 -15.991 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.706 3.224 -17.047 1.00 0.00 H new ATOM 0 HG22 VAL A 78 12.929 2.536 -15.421 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.338 2.808 -16.473 1.00 0.00 H new ATOM 1248 N ASP A 79 14.026 -1.831 -17.633 1.00 0.00 N ATOM 1249 CA ASP A 79 13.700 -3.207 -18.040 1.00 0.00 C ATOM 1250 C ASP A 79 13.966 -4.208 -16.910 1.00 0.00 C ATOM 1251 O ASP A 79 13.112 -5.029 -16.579 1.00 0.00 O ATOM 1252 CB ASP A 79 14.507 -3.627 -19.275 1.00 0.00 C ATOM 1253 CG ASP A 79 15.970 -3.228 -19.111 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.682 -3.932 -18.415 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.357 -2.225 -19.686 1.00 0.00 O ATOM 0 H ASP A 79 14.616 -1.321 -18.291 1.00 0.00 H new ATOM 0 HA ASP A 79 12.637 -3.217 -18.281 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.431 -4.705 -19.419 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.092 -3.156 -20.166 1.00 0.00 H new ATOM 1260 N ASP A 80 15.157 -4.127 -16.324 1.00 0.00 N ATOM 1261 CA ASP A 80 15.517 -5.030 -15.234 1.00 0.00 C ATOM 1262 C ASP A 80 14.751 -4.667 -13.964 1.00 0.00 C ATOM 1263 O ASP A 80 14.332 -5.538 -13.202 1.00 0.00 O ATOM 1264 CB ASP A 80 17.017 -4.949 -14.945 1.00 0.00 C ATOM 1265 CG ASP A 80 17.802 -5.211 -16.226 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.460 -6.151 -16.925 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.733 -4.469 -16.488 1.00 0.00 O ATOM 0 H ASP A 80 15.881 -3.456 -16.580 1.00 0.00 H new ATOM 0 HA ASP A 80 15.258 -6.044 -15.540 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.268 -3.965 -14.548 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.290 -5.679 -14.184 1.00 0.00 H new ATOM 1272 N LEU A 81 14.581 -3.367 -13.743 1.00 0.00 N ATOM 1273 CA LEU A 81 13.873 -2.889 -12.559 1.00 0.00 C ATOM 1274 C LEU A 81 12.408 -3.323 -12.585 1.00 0.00 C ATOM 1275 O LEU A 81 11.845 -3.705 -11.561 1.00 0.00 O ATOM 1276 CB LEU A 81 13.949 -1.361 -12.476 1.00 0.00 C ATOM 1277 CG LEU A 81 14.163 -0.790 -11.070 1.00 0.00 C ATOM 1278 CD1 LEU A 81 14.998 0.490 -11.154 1.00 0.00 C ATOM 1279 CD2 LEU A 81 12.806 -0.469 -10.441 1.00 0.00 C ATOM 0 H LEU A 81 14.920 -2.631 -14.362 1.00 0.00 H new ATOM 0 HA LEU A 81 14.353 -3.326 -11.683 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.762 -1.019 -13.116 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.027 -0.945 -12.882 1.00 0.00 H new ATOM 0 HG LEU A 81 14.687 -1.524 -10.458 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.148 0.893 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 81 15.965 0.265 -11.603 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.476 1.225 -11.767 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.956 -0.063 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.284 0.264 -11.056 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.210 -1.379 -10.377 1.00 0.00 H new ATOM 1291 N VAL A 82 11.794 -3.257 -13.764 1.00 0.00 N ATOM 1292 CA VAL A 82 10.389 -3.642 -13.907 1.00 0.00 C ATOM 1293 C VAL A 82 10.185 -5.104 -13.510 1.00 0.00 C ATOM 1294 O VAL A 82 9.433 -5.409 -12.587 1.00 0.00 O ATOM 1295 CB VAL A 82 9.923 -3.431 -15.358 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.437 -3.789 -15.494 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.126 -1.961 -15.750 1.00 0.00 C ATOM 0 H VAL A 82 12.240 -2.944 -14.627 1.00 0.00 H new ATOM 0 HA VAL A 82 9.796 -3.012 -13.244 1.00 0.00 H new ATOM 0 HB VAL A 82 10.508 -4.075 -16.015 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.119 -3.636 -16.525 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.288 -4.833 -15.220 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.848 -3.153 -14.834 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.796 -1.810 -16.778 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.544 -1.323 -15.085 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.182 -1.705 -15.666 1.00 0.00 H new ATOM 1307 N ALA A 83 10.856 -6.004 -14.222 1.00 0.00 N ATOM 1308 CA ALA A 83 10.733 -7.433 -13.940 1.00 0.00 C ATOM 1309 C ALA A 83 11.182 -7.750 -12.515 1.00 0.00 C ATOM 1310 O ALA A 83 10.632 -8.633 -11.857 1.00 0.00 O ATOM 1311 CB ALA A 83 11.586 -8.244 -14.916 1.00 0.00 C ATOM 0 H ALA A 83 11.485 -5.774 -14.991 1.00 0.00 H new ATOM 0 HA ALA A 83 9.683 -7.702 -14.054 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.484 -9.306 -14.693 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.252 -8.054 -15.936 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.631 -7.951 -14.816 1.00 0.00 H new ATOM 1317 N LYS A 84 12.197 -7.029 -12.054 1.00 0.00 N ATOM 1318 CA LYS A 84 12.732 -7.247 -10.711 1.00 0.00 C ATOM 1319 C LYS A 84 11.799 -6.693 -9.635 1.00 0.00 C ATOM 1320 O LYS A 84 11.699 -7.249 -8.541 1.00 0.00 O ATOM 1321 CB LYS A 84 14.098 -6.574 -10.573 1.00 0.00 C ATOM 1322 CG LYS A 84 14.755 -7.008 -9.260 1.00 0.00 C ATOM 1323 CD LYS A 84 15.698 -8.184 -9.522 1.00 0.00 C ATOM 1324 CE LYS A 84 16.892 -8.105 -8.570 1.00 0.00 C ATOM 1325 NZ LYS A 84 16.624 -8.837 -7.299 1.00 0.00 N ATOM 0 H LYS A 84 12.665 -6.293 -12.584 1.00 0.00 H new ATOM 0 HA LYS A 84 12.826 -8.324 -10.570 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.734 -6.844 -11.416 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.984 -5.490 -10.593 1.00 0.00 H new ATOM 0 HG2 LYS A 84 15.308 -6.175 -8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 84 13.991 -7.295 -8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 84 15.169 -9.126 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.042 -8.164 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.774 -8.525 -9.054 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.116 -7.061 -8.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 17.453 -8.764 -6.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.797 -8.420 -6.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.435 -9.838 -7.508 1.00 0.00 H new ATOM 1339 N CYS A 85 11.132 -5.584 -9.941 1.00 0.00 N ATOM 1340 CA CYS A 85 10.230 -4.959 -8.969 1.00 0.00 C ATOM 1341 C CYS A 85 8.809 -5.503 -9.083 1.00 0.00 C ATOM 1342 O CYS A 85 8.052 -5.492 -8.113 1.00 0.00 O ATOM 1343 CB CYS A 85 10.192 -3.445 -9.167 1.00 0.00 C ATOM 1344 SG CYS A 85 11.698 -2.714 -8.481 1.00 0.00 S ATOM 0 H CYS A 85 11.194 -5.103 -10.838 1.00 0.00 H new ATOM 0 HA CYS A 85 10.619 -5.197 -7.979 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.109 -3.207 -10.228 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.314 -3.025 -8.677 1.00 0.00 H new ATOM 1349 N ALA A 86 8.446 -5.968 -10.273 1.00 0.00 N ATOM 1350 CA ALA A 86 7.103 -6.502 -10.492 1.00 0.00 C ATOM 1351 C ALA A 86 7.013 -7.961 -10.036 1.00 0.00 C ATOM 1352 O ALA A 86 6.652 -8.852 -10.808 1.00 0.00 O ATOM 1353 CB ALA A 86 6.729 -6.408 -11.973 1.00 0.00 C ATOM 0 H ALA A 86 9.053 -5.987 -11.093 1.00 0.00 H new ATOM 0 HA ALA A 86 6.406 -5.906 -9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.726 -6.809 -12.121 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.753 -5.365 -12.289 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.441 -6.983 -12.565 1.00 0.00 H new ATOM 1359 N VAL A 87 7.338 -8.196 -8.767 1.00 0.00 N ATOM 1360 CA VAL A 87 7.283 -9.547 -8.214 1.00 0.00 C ATOM 1361 C VAL A 87 5.845 -10.052 -8.209 1.00 0.00 C ATOM 1362 O VAL A 87 5.036 -9.671 -7.365 1.00 0.00 O ATOM 1363 CB VAL A 87 7.829 -9.580 -6.781 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.350 -9.410 -6.807 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.201 -8.449 -5.959 1.00 0.00 C ATOM 0 H VAL A 87 7.639 -7.478 -8.109 1.00 0.00 H new ATOM 0 HA VAL A 87 7.901 -10.189 -8.842 1.00 0.00 H new ATOM 0 HB VAL A 87 7.578 -10.538 -6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.736 -9.434 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.797 -10.220 -7.383 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.602 -8.455 -7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.593 -8.478 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.445 -7.489 -6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.119 -8.575 -5.935 1.00 0.00 H new ATOM 1375 N LYS A 88 5.536 -10.912 -9.168 1.00 0.00 N ATOM 1376 CA LYS A 88 4.190 -11.468 -9.276 1.00 0.00 C ATOM 1377 C LYS A 88 3.870 -12.330 -8.059 1.00 0.00 C ATOM 1378 O LYS A 88 4.492 -13.367 -7.831 1.00 0.00 O ATOM 1379 CB LYS A 88 4.060 -12.320 -10.544 1.00 0.00 C ATOM 1380 CG LYS A 88 5.151 -13.398 -10.564 1.00 0.00 C ATOM 1381 CD LYS A 88 4.545 -14.754 -10.192 1.00 0.00 C ATOM 1382 CE LYS A 88 5.590 -15.597 -9.457 1.00 0.00 C ATOM 1383 NZ LYS A 88 4.953 -16.531 -8.487 1.00 0.00 N ATOM 0 H LYS A 88 6.191 -11.240 -9.878 1.00 0.00 H new ATOM 0 HA LYS A 88 3.486 -10.637 -9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.075 -12.786 -10.580 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.145 -11.688 -11.428 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.605 -13.451 -11.554 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.944 -13.139 -9.863 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.668 -14.611 -9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.210 -15.273 -11.090 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.175 -16.165 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.284 -14.941 -8.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.689 -17.087 -8.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 4.415 -15.987 -7.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 4.310 -17.172 -8.994 1.00 0.00 H new ATOM 1397 N LYS A 89 2.887 -11.886 -7.280 1.00 0.00 N ATOM 1398 CA LYS A 89 2.484 -12.621 -6.084 1.00 0.00 C ATOM 1399 C LYS A 89 1.261 -13.489 -6.382 1.00 0.00 C ATOM 1400 O LYS A 89 1.373 -14.703 -6.558 1.00 0.00 O ATOM 1401 CB LYS A 89 2.152 -11.652 -4.945 1.00 0.00 C ATOM 1402 CG LYS A 89 3.415 -11.364 -4.129 1.00 0.00 C ATOM 1403 CD LYS A 89 4.234 -10.270 -4.816 1.00 0.00 C ATOM 1404 CE LYS A 89 4.836 -9.338 -3.762 1.00 0.00 C ATOM 1405 NZ LYS A 89 6.014 -9.962 -3.096 1.00 0.00 N ATOM 0 H LYS A 89 2.360 -11.030 -7.452 1.00 0.00 H new ATOM 0 HA LYS A 89 3.315 -13.258 -5.781 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.749 -10.724 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.382 -12.080 -4.303 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.145 -11.050 -3.121 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.011 -12.271 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.027 -10.718 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 89 3.601 -9.703 -5.498 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.135 -8.401 -4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.080 -9.094 -3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.400 -9.306 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 5.722 -10.844 -2.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.744 -10.172 -3.807 1.00 0.00 H new ATOM 1419 N ASP A 90 0.093 -12.853 -6.443 1.00 0.00 N ATOM 1420 CA ASP A 90 -1.148 -13.574 -6.725 1.00 0.00 C ATOM 1421 C ASP A 90 -2.314 -12.599 -6.854 1.00 0.00 C ATOM 1422 O ASP A 90 -3.116 -12.688 -7.784 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.460 -14.584 -5.616 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.360 -13.909 -4.252 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -2.324 -13.276 -3.854 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -0.321 -14.035 -3.626 1.00 0.00 O ATOM 0 H ASP A 90 -0.021 -11.849 -6.303 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.013 -14.108 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.461 -14.993 -5.756 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.764 -15.421 -5.669 1.00 0.00 H new ATOM 1431 N THR A 91 -2.397 -11.660 -5.914 1.00 0.00 N ATOM 1432 CA THR A 91 -3.467 -10.668 -5.939 1.00 0.00 C ATOM 1433 C THR A 91 -2.958 -9.365 -6.557 1.00 0.00 C ATOM 1434 O THR A 91 -1.772 -9.050 -6.463 1.00 0.00 O ATOM 1435 CB THR A 91 -3.978 -10.383 -4.524 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.934 -10.622 -3.588 1.00 0.00 O ATOM 1437 CG2 THR A 91 -5.169 -11.293 -4.212 1.00 0.00 C ATOM 0 H THR A 91 -1.745 -11.566 -5.135 1.00 0.00 H new ATOM 0 HA THR A 91 -4.285 -11.068 -6.539 1.00 0.00 H new ATOM 0 HB THR A 91 -4.296 -9.343 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.764 -11.585 -3.526 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.530 -11.087 -3.204 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.968 -11.105 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.858 -12.335 -4.280 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.845 -8.589 -7.193 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.461 -7.317 -7.819 1.00 0.00 C ATOM 1447 C PRO A 92 -3.149 -6.237 -6.788 1.00 0.00 C ATOM 1448 O PRO A 92 -2.141 -5.537 -6.889 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.677 -6.934 -8.655 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.829 -7.625 -8.012 1.00 0.00 C ATOM 1451 CD PRO A 92 -5.284 -8.865 -7.361 1.00 0.00 C ATOM 0 HA PRO A 92 -2.550 -7.416 -8.409 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.822 -5.854 -8.666 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.557 -7.250 -9.691 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.305 -6.979 -7.275 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.589 -7.879 -8.751 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.767 -9.055 -6.402 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.450 -9.745 -7.982 1.00 0.00 H new ATOM 1459 N GLN A 93 -4.022 -6.114 -5.789 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.825 -5.121 -4.733 1.00 0.00 C ATOM 1461 C GLN A 93 -2.477 -5.331 -4.043 1.00 0.00 C ATOM 1462 O GLN A 93 -1.867 -4.387 -3.540 1.00 0.00 O ATOM 1463 CB GLN A 93 -4.941 -5.213 -3.690 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.020 -6.639 -3.144 1.00 0.00 C ATOM 1465 CD GLN A 93 -4.180 -6.749 -1.877 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -3.161 -7.439 -1.858 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -4.550 -6.102 -0.805 1.00 0.00 N ATOM 0 H GLN A 93 -4.863 -6.682 -5.688 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.845 -4.134 -5.196 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.751 -4.512 -2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.894 -4.931 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -6.056 -6.900 -2.929 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.662 -7.346 -3.892 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.394 -5.530 -0.820 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -3.995 -6.168 0.048 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.013 -6.580 -4.033 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.732 -6.902 -3.412 1.00 0.00 C ATOM 1478 C HIS A 94 0.416 -6.457 -4.312 1.00 0.00 C ATOM 1479 O HIS A 94 1.188 -5.562 -3.965 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.616 -8.410 -3.169 1.00 0.00 C ATOM 1481 CG HIS A 94 0.202 -8.658 -1.931 1.00 0.00 C ATOM 1482 ND1 HIS A 94 -0.377 -9.000 -0.719 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.555 -8.618 -1.702 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.615 -9.151 0.176 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.813 -8.929 -0.371 1.00 0.00 N ATOM 0 H HIS A 94 -2.500 -7.377 -4.444 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.677 -6.377 -2.458 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.608 -8.848 -3.056 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.150 -8.893 -4.028 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.305 -8.381 -2.442 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.462 -9.419 1.211 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.722 -8.977 0.089 1.00 0.00 H new ATOM 1493 N SER A 95 0.516 -7.093 -5.482 1.00 0.00 N ATOM 1494 CA SER A 95 1.568 -6.770 -6.454 1.00 0.00 C ATOM 1495 C SER A 95 1.671 -5.259 -6.688 1.00 0.00 C ATOM 1496 O SER A 95 2.738 -4.738 -7.014 1.00 0.00 O ATOM 1497 CB SER A 95 1.280 -7.452 -7.791 1.00 0.00 C ATOM 1498 OG SER A 95 0.158 -6.829 -8.401 1.00 0.00 O ATOM 0 H SER A 95 -0.118 -7.834 -5.781 1.00 0.00 H new ATOM 0 HA SER A 95 2.511 -7.130 -6.043 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.150 -7.381 -8.444 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.083 -8.513 -7.637 1.00 0.00 H new ATOM 0 HG SER A 95 -0.483 -6.561 -7.710 1.00 0.00 H new ATOM 1504 N SER A 96 0.544 -4.569 -6.527 1.00 0.00 N ATOM 1505 CA SER A 96 0.506 -3.122 -6.730 1.00 0.00 C ATOM 1506 C SER A 96 1.480 -2.411 -5.793 1.00 0.00 C ATOM 1507 O SER A 96 2.193 -1.493 -6.199 1.00 0.00 O ATOM 1508 CB SER A 96 -0.905 -2.587 -6.483 1.00 0.00 C ATOM 1509 OG SER A 96 -1.164 -2.570 -5.085 1.00 0.00 O ATOM 0 H SER A 96 -0.348 -4.984 -6.259 1.00 0.00 H new ATOM 0 HA SER A 96 0.798 -2.925 -7.761 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.002 -1.582 -6.895 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.638 -3.213 -6.993 1.00 0.00 H new ATOM 0 HG SER A 96 -0.985 -3.457 -4.708 1.00 0.00 H new ATOM 1515 N ALA A 97 1.502 -2.842 -4.532 1.00 0.00 N ATOM 1516 CA ALA A 97 2.392 -2.237 -3.541 1.00 0.00 C ATOM 1517 C ALA A 97 3.847 -2.331 -3.995 1.00 0.00 C ATOM 1518 O ALA A 97 4.531 -1.319 -4.148 1.00 0.00 O ATOM 1519 CB ALA A 97 2.237 -2.933 -2.185 1.00 0.00 C ATOM 0 H ALA A 97 0.920 -3.600 -4.175 1.00 0.00 H new ATOM 0 HA ALA A 97 2.117 -1.187 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.906 -2.470 -1.460 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.207 -2.836 -1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.487 -3.989 -2.287 1.00 0.00 H new ATOM 1525 N ASP A 98 4.309 -3.559 -4.222 1.00 0.00 N ATOM 1526 CA ASP A 98 5.683 -3.774 -4.674 1.00 0.00 C ATOM 1527 C ASP A 98 5.916 -3.057 -6.003 1.00 0.00 C ATOM 1528 O ASP A 98 7.020 -2.595 -6.293 1.00 0.00 O ATOM 1529 CB ASP A 98 5.961 -5.267 -4.857 1.00 0.00 C ATOM 1530 CG ASP A 98 6.001 -5.947 -3.492 1.00 0.00 C ATOM 1531 OD1 ASP A 98 7.061 -5.959 -2.888 1.00 0.00 O ATOM 1532 OD2 ASP A 98 4.970 -6.445 -3.071 1.00 0.00 O ATOM 0 H ASP A 98 3.761 -4.411 -4.102 1.00 0.00 H new ATOM 0 HA ASP A 98 6.357 -3.374 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.187 -5.719 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.909 -5.411 -5.375 1.00 0.00 H new ATOM 1537 N PHE A 99 4.855 -2.965 -6.800 1.00 0.00 N ATOM 1538 CA PHE A 99 4.935 -2.297 -8.093 1.00 0.00 C ATOM 1539 C PHE A 99 4.570 -0.819 -7.938 1.00 0.00 C ATOM 1540 O PHE A 99 3.514 -0.372 -8.388 1.00 0.00 O ATOM 1541 CB PHE A 99 3.977 -2.969 -9.093 1.00 0.00 C ATOM 1542 CG PHE A 99 4.054 -2.287 -10.444 1.00 0.00 C ATOM 1543 CD1 PHE A 99 5.298 -2.019 -11.031 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.876 -1.923 -11.104 1.00 0.00 C ATOM 1545 CE1 PHE A 99 5.360 -1.386 -12.277 1.00 0.00 C ATOM 1546 CE2 PHE A 99 2.939 -1.290 -12.350 1.00 0.00 C ATOM 1547 CZ PHE A 99 4.181 -1.021 -12.937 1.00 0.00 C ATOM 0 H PHE A 99 3.935 -3.343 -6.574 1.00 0.00 H new ATOM 0 HA PHE A 99 5.955 -2.376 -8.470 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.232 -4.024 -9.197 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.956 -2.923 -8.714 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.208 -2.301 -10.522 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.917 -2.131 -10.652 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.318 -1.179 -12.730 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.029 -1.009 -12.859 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.229 -0.532 -13.899 1.00 0.00 H new ATOM 1557 N PHE A 100 5.457 -0.066 -7.295 1.00 0.00 N ATOM 1558 CA PHE A 100 5.216 1.359 -7.087 1.00 0.00 C ATOM 1559 C PHE A 100 6.415 2.018 -6.410 1.00 0.00 C ATOM 1560 O PHE A 100 7.087 2.867 -6.996 1.00 0.00 O ATOM 1561 CB PHE A 100 3.971 1.569 -6.220 1.00 0.00 C ATOM 1562 CG PHE A 100 3.418 2.953 -6.458 1.00 0.00 C ATOM 1563 CD1 PHE A 100 2.568 3.190 -7.545 1.00 0.00 C ATOM 1564 CD2 PHE A 100 3.755 4.000 -5.592 1.00 0.00 C ATOM 1565 CE1 PHE A 100 2.055 4.474 -7.766 1.00 0.00 C ATOM 1566 CE2 PHE A 100 3.242 5.284 -5.813 1.00 0.00 C ATOM 1567 CZ PHE A 100 2.392 5.521 -6.900 1.00 0.00 C ATOM 0 H PHE A 100 6.338 -0.412 -6.913 1.00 0.00 H new ATOM 0 HA PHE A 100 5.061 1.818 -8.064 1.00 0.00 H new ATOM 0 HB2 PHE A 100 3.217 0.819 -6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 100 4.223 1.443 -5.167 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.308 2.382 -8.213 1.00 0.00 H new ATOM 0 HD2 PHE A 100 4.411 3.817 -4.753 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.399 4.657 -8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.502 6.092 -5.145 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.996 6.511 -7.070 1.00 0.00 H new ATOM 1577 N LYS A 101 6.673 1.626 -5.165 1.00 0.00 N ATOM 1578 CA LYS A 101 7.791 2.195 -4.414 1.00 0.00 C ATOM 1579 C LYS A 101 9.118 1.575 -4.853 1.00 0.00 C ATOM 1580 O LYS A 101 10.159 2.230 -4.835 1.00 0.00 O ATOM 1581 CB LYS A 101 7.604 1.976 -2.906 1.00 0.00 C ATOM 1582 CG LYS A 101 7.569 0.476 -2.581 1.00 0.00 C ATOM 1583 CD LYS A 101 6.834 0.259 -1.256 1.00 0.00 C ATOM 1584 CE LYS A 101 5.336 0.518 -1.446 1.00 0.00 C ATOM 1585 NZ LYS A 101 4.581 -0.757 -1.605 1.00 0.00 N ATOM 0 H LYS A 101 6.131 0.925 -4.659 1.00 0.00 H new ATOM 0 HA LYS A 101 7.812 3.265 -4.621 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.417 2.454 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.678 2.447 -2.576 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.068 -0.069 -3.381 1.00 0.00 H new ATOM 0 HG3 LYS A 101 8.584 0.083 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.995 -0.760 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.234 0.927 -0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.948 1.068 -0.588 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.182 1.146 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.581 -0.547 -1.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.981 -1.301 -2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.654 -1.315 -0.730 1.00 0.00 H new ATOM 1599 N CYS A 102 9.067 0.301 -5.243 1.00 0.00 N ATOM 1600 CA CYS A 102 10.271 -0.414 -5.682 1.00 0.00 C ATOM 1601 C CYS A 102 11.026 0.371 -6.756 1.00 0.00 C ATOM 1602 O CYS A 102 12.256 0.355 -6.806 1.00 0.00 O ATOM 1603 CB CYS A 102 9.898 -1.786 -6.243 1.00 0.00 C ATOM 1604 SG CYS A 102 11.399 -2.769 -6.485 1.00 0.00 S ATOM 0 H CYS A 102 8.213 -0.256 -5.265 1.00 0.00 H new ATOM 0 HA CYS A 102 10.916 -0.530 -4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.221 -2.298 -5.559 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.369 -1.672 -7.189 1.00 0.00 H new ATOM 1609 N VAL A 103 10.276 1.056 -7.613 1.00 0.00 N ATOM 1610 CA VAL A 103 10.887 1.842 -8.683 1.00 0.00 C ATOM 1611 C VAL A 103 11.133 3.285 -8.235 1.00 0.00 C ATOM 1612 O VAL A 103 11.971 3.986 -8.802 1.00 0.00 O ATOM 1613 CB VAL A 103 9.987 1.854 -9.923 1.00 0.00 C ATOM 1614 CG1 VAL A 103 9.846 0.428 -10.466 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.604 2.398 -9.548 1.00 0.00 C ATOM 0 H VAL A 103 9.257 1.084 -7.590 1.00 0.00 H new ATOM 0 HA VAL A 103 11.842 1.376 -8.927 1.00 0.00 H new ATOM 0 HB VAL A 103 10.432 2.491 -10.687 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.206 0.436 -11.348 1.00 0.00 H new ATOM 0 HG12 VAL A 103 10.829 0.042 -10.735 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.402 -0.210 -9.702 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.965 2.406 -10.431 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.158 1.762 -8.783 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.704 3.413 -9.163 1.00 0.00 H new ATOM 1625 N HIS A 104 10.391 3.728 -7.217 1.00 0.00 N ATOM 1626 CA HIS A 104 10.540 5.094 -6.716 1.00 0.00 C ATOM 1627 C HIS A 104 11.563 5.174 -5.580 1.00 0.00 C ATOM 1628 O HIS A 104 11.570 6.136 -4.811 1.00 0.00 O ATOM 1629 CB HIS A 104 9.198 5.618 -6.201 1.00 0.00 C ATOM 1630 CG HIS A 104 8.408 6.195 -7.342 1.00 0.00 C ATOM 1631 ND1 HIS A 104 8.497 5.693 -8.631 1.00 0.00 N ATOM 1632 CD2 HIS A 104 7.507 7.230 -7.403 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.672 6.421 -9.406 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.044 7.371 -8.708 1.00 0.00 N ATOM 0 H HIS A 104 9.691 3.169 -6.730 1.00 0.00 H new ATOM 0 HA HIS A 104 10.891 5.704 -7.548 1.00 0.00 H new ATOM 0 HB2 HIS A 104 8.638 4.810 -5.730 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.362 6.379 -5.438 1.00 0.00 H new ATOM 0 HD2 HIS A 104 7.204 7.841 -6.566 1.00 0.00 H new ATOM 0 HE1 HIS A 104 7.534 6.257 -10.465 1.00 0.00 H new ATOM 0 HE2 HIS A 104 6.370 8.053 -9.056 1.00 0.00 H new ATOM 1642 N ASP A 105 12.432 4.169 -5.477 1.00 0.00 N ATOM 1643 CA ASP A 105 13.447 4.167 -4.425 1.00 0.00 C ATOM 1644 C ASP A 105 14.842 4.025 -5.029 1.00 0.00 C ATOM 1645 O ASP A 105 15.738 3.435 -4.425 1.00 0.00 O ATOM 1646 CB ASP A 105 13.210 3.019 -3.438 1.00 0.00 C ATOM 1647 CG ASP A 105 13.054 1.705 -4.196 1.00 0.00 C ATOM 1648 OD1 ASP A 105 13.748 1.524 -5.183 1.00 0.00 O ATOM 1649 OD2 ASP A 105 12.244 0.897 -3.775 1.00 0.00 O ATOM 0 H ASP A 105 12.455 3.359 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 105 13.374 5.116 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.045 2.949 -2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.316 3.216 -2.846 1.00 0.00 H new