USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 885 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 20 THR OG1 : rot 170:sc= -1.95! USER MOD Set 1.2: A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 31 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0145) USER MOD Set 2.2: A 34 GLN : amide:sc= 0.376 K(o=0.38,f=-0.73) USER MOD Set 3.1: A 27 SER OG : rot -150:sc= -0.271 USER MOD Set 3.2: A 112 HIS : no HE2:sc= -2.67! C(o=-2.9!,f=-9.6!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 129:sc= -0.892 USER MOD Single : A 24 SER OG : rot 158:sc= 0.448 USER MOD Single : A 28 LYS NZ :NH3+ -156:sc= -0.111 (180deg=-0.597) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.195 K(o=-0.19,f=-1.3!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00703) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -117:sc= -0.322 (180deg=-2.02!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.81 K(o=-1.8,f=-2.9) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -139:sc= -0.0443 (180deg=-0.315) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -141:sc= -1.09 (180deg=-3.44!) USER MOD Single : A 73 THR OG1 : rot 60:sc= -1.65 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0306) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0762 USER MOD Single : A 82 THR OG1 : rot 120:sc= -0.493 USER MOD Single : A 83 SER OG : rot -65:sc= 1.11 USER MOD Single : A 84 ASN : amide:sc= -0.522 K(o=-0.52,f=-1.6!) USER MOD Single : A 87 ASN : amide:sc= -0.328 K(o=-0.33,f=-2.6!) USER MOD Single : A 92 ASN : amide:sc= -0.0303 K(o=-0.03,f=-1.1) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.044 X(o=-0.044,f=0) USER MOD Single : A 98 THR OG1 : rot -90:sc= -2.2 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -71:sc= 1.26 USER MOD Single : B 9 SER OG : rot 180:sc= -0.451 USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 2.060 -12.657 -4.468 1.00 0.00 N ATOM 223 CA ILE A 14 2.897 -11.406 -4.624 1.00 0.00 C ATOM 224 C ILE A 14 2.173 -10.196 -3.999 1.00 0.00 C ATOM 225 O ILE A 14 2.800 -9.338 -3.408 1.00 0.00 O ATOM 226 CB ILE A 14 3.116 -11.187 -6.137 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.000 -9.951 -6.354 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.773 -10.972 -6.844 1.00 0.00 C ATOM 229 CD1 ILE A 14 5.373 -10.167 -5.705 1.00 0.00 C ATOM 0 HA ILE A 14 3.853 -11.514 -4.112 1.00 0.00 H new ATOM 0 HB ILE A 14 3.602 -12.070 -6.551 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.119 -9.761 -7.421 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.520 -9.071 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.943 -10.819 -7.910 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.141 -11.849 -6.700 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.278 -10.095 -6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.993 -9.285 -5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 14 5.248 -10.334 -4.635 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.855 -11.035 -6.154 1.00 0.00 H new ATOM 241 N GLU A 15 0.859 -10.128 -4.109 1.00 0.00 N ATOM 242 CA GLU A 15 0.125 -8.970 -3.490 1.00 0.00 C ATOM 243 C GLU A 15 0.245 -9.049 -1.962 1.00 0.00 C ATOM 244 O GLU A 15 0.418 -8.042 -1.302 1.00 0.00 O ATOM 245 CB GLU A 15 -1.344 -9.087 -3.923 1.00 0.00 C ATOM 246 CG GLU A 15 -1.529 -8.395 -5.276 1.00 0.00 C ATOM 247 CD GLU A 15 -2.955 -8.627 -5.778 1.00 0.00 C ATOM 248 OE1 GLU A 15 -3.868 -8.521 -4.977 1.00 0.00 O ATOM 249 OE2 GLU A 15 -3.109 -8.907 -6.955 1.00 0.00 O ATOM 0 H GLU A 15 0.275 -10.811 -4.591 1.00 0.00 H new ATOM 0 HA GLU A 15 0.540 -8.015 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.631 -10.136 -3.996 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.993 -8.630 -3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.336 -7.327 -5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.811 -8.785 -5.997 1.00 0.00 H new ATOM 256 N GLY A 16 0.172 -10.237 -1.389 1.00 0.00 N ATOM 257 CA GLY A 16 0.304 -10.353 0.094 1.00 0.00 C ATOM 258 C GLY A 16 1.732 -9.953 0.492 1.00 0.00 C ATOM 259 O GLY A 16 1.931 -9.232 1.452 1.00 0.00 O ATOM 0 H GLY A 16 0.028 -11.117 -1.885 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.421 -9.708 0.590 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.094 -11.374 0.414 1.00 0.00 H new ATOM 263 N ARG A 17 2.729 -10.403 -0.247 1.00 0.00 N ATOM 264 CA ARG A 17 4.146 -10.021 0.100 1.00 0.00 C ATOM 265 C ARG A 17 4.320 -8.494 0.069 1.00 0.00 C ATOM 266 O ARG A 17 5.165 -7.967 0.761 1.00 0.00 O ATOM 267 CB ARG A 17 5.055 -10.678 -0.951 1.00 0.00 C ATOM 268 CG ARG A 17 5.011 -12.198 -0.787 1.00 0.00 C ATOM 269 CD ARG A 17 6.148 -12.646 0.136 1.00 0.00 C ATOM 270 NE ARG A 17 6.269 -14.113 -0.088 1.00 0.00 N ATOM 271 CZ ARG A 17 6.063 -14.943 0.897 1.00 0.00 C ATOM 272 NH1 ARG A 17 6.883 -14.967 1.913 1.00 0.00 N ATOM 273 NH2 ARG A 17 5.038 -15.749 0.867 1.00 0.00 N ATOM 0 H ARG A 17 2.626 -11.008 -1.062 1.00 0.00 H new ATOM 0 HA ARG A 17 4.399 -10.358 1.105 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.729 -10.400 -1.953 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.078 -10.319 -0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.050 -12.502 -0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.105 -12.682 -1.759 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.078 -12.132 -0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.921 -12.423 1.179 1.00 0.00 H new ATOM 0 HE ARG A 17 6.513 -14.469 -1.012 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.685 -14.337 1.936 1.00 0.00 H new ATOM 0 HH12 ARG A 17 6.722 -15.616 2.683 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.398 -15.730 0.073 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.877 -16.398 1.637 1.00 0.00 H new ATOM 287 N TYR A 18 3.543 -7.770 -0.717 1.00 0.00 N ATOM 288 CA TYR A 18 3.714 -6.271 -0.739 1.00 0.00 C ATOM 289 C TYR A 18 3.442 -5.704 0.660 1.00 0.00 C ATOM 290 O TYR A 18 4.161 -4.841 1.129 1.00 0.00 O ATOM 291 CB TYR A 18 2.685 -5.716 -1.743 1.00 0.00 C ATOM 292 CG TYR A 18 3.280 -5.640 -3.133 1.00 0.00 C ATOM 293 CD1 TYR A 18 4.012 -6.717 -3.652 1.00 0.00 C ATOM 294 CD2 TYR A 18 3.083 -4.492 -3.909 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.548 -6.643 -4.942 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.619 -4.419 -5.200 1.00 0.00 C ATOM 297 CZ TYR A 18 4.351 -5.494 -5.716 1.00 0.00 C ATOM 298 OH TYR A 18 4.878 -5.422 -6.990 1.00 0.00 O ATOM 0 H TYR A 18 2.816 -8.140 -1.329 1.00 0.00 H new ATOM 0 HA TYR A 18 4.727 -5.992 -1.030 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.801 -6.353 -1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.359 -4.725 -1.427 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.162 -7.605 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.517 -3.662 -3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.114 -7.472 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.467 -3.533 -5.798 1.00 0.00 H new ATOM 0 HH TYR A 18 4.648 -4.558 -7.391 1.00 0.00 H new ATOM 308 N ALA A 19 2.424 -6.191 1.340 1.00 0.00 N ATOM 309 CA ALA A 19 2.144 -5.671 2.721 1.00 0.00 C ATOM 310 C ALA A 19 3.132 -6.295 3.712 1.00 0.00 C ATOM 311 O ALA A 19 3.601 -5.631 4.617 1.00 0.00 O ATOM 312 CB ALA A 19 0.707 -6.081 3.076 1.00 0.00 C ATOM 0 H ALA A 19 1.786 -6.913 1.005 1.00 0.00 H new ATOM 0 HA ALA A 19 2.255 -4.588 2.765 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.462 -5.721 4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.016 -5.646 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.622 -7.167 3.050 1.00 0.00 H new ATOM 318 N THR A 20 3.462 -7.563 3.551 1.00 0.00 N ATOM 319 CA THR A 20 4.435 -8.192 4.506 1.00 0.00 C ATOM 320 C THR A 20 5.865 -7.716 4.222 1.00 0.00 C ATOM 321 O THR A 20 6.672 -7.650 5.131 1.00 0.00 O ATOM 322 CB THR A 20 4.306 -9.715 4.353 1.00 0.00 C ATOM 323 OG1 THR A 20 3.676 -10.020 3.112 1.00 0.00 O ATOM 324 CG2 THR A 20 3.462 -10.259 5.509 1.00 0.00 C ATOM 0 H THR A 20 3.107 -8.175 2.816 1.00 0.00 H new ATOM 0 HA THR A 20 4.212 -7.900 5.532 1.00 0.00 H new ATOM 0 HB THR A 20 5.295 -10.174 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.738 -10.983 2.941 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.364 -11.340 5.410 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.947 -10.024 6.456 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.473 -9.801 5.484 1.00 0.00 H new ATOM 332 N ALA A 21 6.194 -7.350 2.997 1.00 0.00 N ATOM 333 CA ALA A 21 7.584 -6.849 2.740 1.00 0.00 C ATOM 334 C ALA A 21 7.715 -5.388 3.205 1.00 0.00 C ATOM 335 O ALA A 21 8.812 -4.916 3.439 1.00 0.00 O ATOM 336 CB ALA A 21 7.830 -6.964 1.229 1.00 0.00 C ATOM 0 H ALA A 21 5.576 -7.376 2.186 1.00 0.00 H new ATOM 0 HA ALA A 21 8.320 -7.433 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.834 -6.609 0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.733 -8.006 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.098 -6.359 0.694 1.00 0.00 H new ATOM 342 N LEU A 22 6.615 -4.669 3.377 1.00 0.00 N ATOM 343 CA LEU A 22 6.731 -3.257 3.865 1.00 0.00 C ATOM 344 C LEU A 22 6.471 -3.244 5.365 1.00 0.00 C ATOM 345 O LEU A 22 7.200 -2.619 6.114 1.00 0.00 O ATOM 346 CB LEU A 22 5.668 -2.441 3.122 1.00 0.00 C ATOM 347 CG LEU A 22 5.799 -0.960 3.512 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.479 -0.187 2.379 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.410 -0.370 3.774 1.00 0.00 C ATOM 0 H LEU A 22 5.665 -4.997 3.203 1.00 0.00 H new ATOM 0 HA LEU A 22 7.720 -2.836 3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.791 -2.557 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.672 -2.808 3.371 1.00 0.00 H new ATOM 0 HG LEU A 22 6.401 -0.879 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.570 0.863 2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.471 -0.602 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.881 -0.270 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.507 0.680 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.803 -0.454 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.930 -0.916 4.586 1.00 0.00 H new ATOM 361 N TYR A 23 5.464 -3.958 5.823 1.00 0.00 N ATOM 362 CA TYR A 23 5.222 -3.997 7.286 1.00 0.00 C ATOM 363 C TYR A 23 6.272 -4.915 7.953 1.00 0.00 C ATOM 364 O TYR A 23 6.464 -4.824 9.146 1.00 0.00 O ATOM 365 CB TYR A 23 3.744 -4.448 7.483 1.00 0.00 C ATOM 366 CG TYR A 23 3.625 -5.788 8.166 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.993 -5.929 9.505 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.151 -6.881 7.450 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.893 -7.170 10.129 1.00 0.00 C ATOM 370 CE2 TYR A 23 3.048 -8.121 8.063 1.00 0.00 C ATOM 371 CZ TYR A 23 3.421 -8.275 9.406 1.00 0.00 C ATOM 372 OH TYR A 23 3.318 -9.509 10.017 1.00 0.00 O ATOM 0 H TYR A 23 4.817 -4.502 5.252 1.00 0.00 H new ATOM 0 HA TYR A 23 5.342 -3.028 7.770 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.216 -3.698 8.072 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.252 -4.496 6.512 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.356 -5.075 10.058 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.863 -6.765 6.416 1.00 0.00 H new ATOM 0 HE1 TYR A 23 4.178 -7.281 11.165 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.680 -8.969 7.505 1.00 0.00 H new ATOM 0 HH TYR A 23 2.421 -9.875 9.867 1.00 0.00 H new ATOM 382 N SER A 24 6.983 -5.777 7.213 1.00 0.00 N ATOM 383 CA SER A 24 8.038 -6.634 7.890 1.00 0.00 C ATOM 384 C SER A 24 8.950 -5.720 8.731 1.00 0.00 C ATOM 385 O SER A 24 9.332 -6.063 9.834 1.00 0.00 O ATOM 386 CB SER A 24 8.840 -7.325 6.779 1.00 0.00 C ATOM 387 OG SER A 24 8.935 -6.456 5.657 1.00 0.00 O ATOM 0 H SER A 24 6.879 -5.916 6.208 1.00 0.00 H new ATOM 0 HA SER A 24 7.595 -7.381 8.549 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.836 -7.582 7.140 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.355 -8.258 6.491 1.00 0.00 H new ATOM 0 HG SER A 24 9.704 -6.714 5.107 1.00 0.00 H new ATOM 393 N ALA A 25 9.232 -4.522 8.243 1.00 0.00 N ATOM 394 CA ALA A 25 10.039 -3.562 9.062 1.00 0.00 C ATOM 395 C ALA A 25 9.105 -2.979 10.136 1.00 0.00 C ATOM 396 O ALA A 25 9.490 -2.831 11.281 1.00 0.00 O ATOM 397 CB ALA A 25 10.530 -2.459 8.110 1.00 0.00 C ATOM 0 H ALA A 25 8.940 -4.179 7.328 1.00 0.00 H new ATOM 0 HA ALA A 25 10.894 -4.033 9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.125 -1.735 8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.141 -2.902 7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.673 -1.956 7.663 1.00 0.00 H new ATOM 403 N ALA A 26 7.862 -2.674 9.782 1.00 0.00 N ATOM 404 CA ALA A 26 6.904 -2.132 10.813 1.00 0.00 C ATOM 405 C ALA A 26 6.744 -3.150 11.956 1.00 0.00 C ATOM 406 O ALA A 26 6.677 -2.780 13.111 1.00 0.00 O ATOM 407 CB ALA A 26 5.553 -1.936 10.103 1.00 0.00 C ATOM 0 H ALA A 26 7.480 -2.776 8.842 1.00 0.00 H new ATOM 0 HA ALA A 26 7.268 -1.195 11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.823 -1.543 10.811 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.674 -1.233 9.279 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.204 -2.893 9.715 1.00 0.00 H new ATOM 413 N SER A 27 6.689 -4.435 11.645 1.00 0.00 N ATOM 414 CA SER A 27 6.538 -5.468 12.735 1.00 0.00 C ATOM 415 C SER A 27 7.680 -5.314 13.752 1.00 0.00 C ATOM 416 O SER A 27 7.466 -5.409 14.946 1.00 0.00 O ATOM 417 CB SER A 27 6.616 -6.845 12.059 1.00 0.00 C ATOM 418 OG SER A 27 5.875 -7.786 12.824 1.00 0.00 O ATOM 0 H SER A 27 6.741 -4.808 10.697 1.00 0.00 H new ATOM 0 HA SER A 27 5.593 -5.350 13.264 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.218 -6.789 11.046 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.655 -7.164 11.976 1.00 0.00 H new ATOM 0 HG SER A 27 6.271 -8.676 12.720 1.00 0.00 H new ATOM 424 N LYS A 28 8.890 -5.055 13.292 1.00 0.00 N ATOM 425 CA LYS A 28 10.030 -4.872 14.261 1.00 0.00 C ATOM 426 C LYS A 28 9.751 -3.644 15.146 1.00 0.00 C ATOM 427 O LYS A 28 10.024 -3.659 16.332 1.00 0.00 O ATOM 428 CB LYS A 28 11.300 -4.646 13.425 1.00 0.00 C ATOM 429 CG LYS A 28 11.792 -5.986 12.872 1.00 0.00 C ATOM 430 CD LYS A 28 13.322 -5.993 12.832 1.00 0.00 C ATOM 431 CE LYS A 28 13.865 -6.644 14.108 1.00 0.00 C ATOM 432 NZ LYS A 28 14.225 -5.504 14.997 1.00 0.00 N ATOM 0 H LYS A 28 9.135 -4.964 12.306 1.00 0.00 H new ATOM 0 HA LYS A 28 10.148 -5.742 14.907 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.092 -3.957 12.606 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.075 -4.187 14.038 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.431 -6.803 13.496 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.391 -6.147 11.871 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.671 -6.540 11.956 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.698 -4.974 12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.117 -7.286 14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.733 -7.268 13.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.947 -5.811 15.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.600 -4.722 14.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.379 -5.183 15.509 1.00 0.00 H new ATOM 446 N GLN A 29 9.196 -2.584 14.585 1.00 0.00 N ATOM 447 CA GLN A 29 8.890 -1.371 15.419 1.00 0.00 C ATOM 448 C GLN A 29 7.442 -1.400 15.963 1.00 0.00 C ATOM 449 O GLN A 29 7.029 -0.482 16.643 1.00 0.00 O ATOM 450 CB GLN A 29 9.084 -0.162 14.493 1.00 0.00 C ATOM 451 CG GLN A 29 10.579 0.102 14.302 1.00 0.00 C ATOM 452 CD GLN A 29 10.779 1.492 13.686 1.00 0.00 C ATOM 453 OE1 GLN A 29 10.763 2.484 14.389 1.00 0.00 O ATOM 454 NE2 GLN A 29 10.967 1.615 12.395 1.00 0.00 N ATOM 0 H GLN A 29 8.946 -2.509 13.599 1.00 0.00 H new ATOM 0 HA GLN A 29 9.544 -1.330 16.290 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.611 -0.350 13.529 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.601 0.717 14.919 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.095 0.039 15.260 1.00 0.00 H new ATOM 0 HG3 GLN A 29 11.014 -0.660 13.655 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.981 0.786 11.800 1.00 0.00 H new ATOM 0 HE22 GLN A 29 11.099 2.539 11.985 1.00 0.00 H new ATOM 463 N ASN A 30 6.655 -2.433 15.672 1.00 0.00 N ATOM 464 CA ASN A 30 5.242 -2.497 16.173 1.00 0.00 C ATOM 465 C ASN A 30 4.412 -1.404 15.499 1.00 0.00 C ATOM 466 O ASN A 30 3.605 -0.751 16.135 1.00 0.00 O ATOM 467 CB ASN A 30 5.291 -2.292 17.696 1.00 0.00 C ATOM 468 CG ASN A 30 4.095 -2.997 18.347 1.00 0.00 C ATOM 469 OD1 ASN A 30 3.710 -4.070 17.924 1.00 0.00 O ATOM 470 ND2 ASN A 30 3.483 -2.443 19.364 1.00 0.00 N ATOM 0 H ASN A 30 6.942 -3.232 15.106 1.00 0.00 H new ATOM 0 HA ASN A 30 4.778 -3.456 15.941 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.223 -2.690 18.097 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.271 -1.228 17.931 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.687 -2.912 19.797 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.802 -1.543 19.723 1.00 0.00 H new ATOM 477 N LYS A 31 4.597 -1.204 14.209 1.00 0.00 N ATOM 478 CA LYS A 31 3.805 -0.155 13.504 1.00 0.00 C ATOM 479 C LYS A 31 2.727 -0.771 12.585 1.00 0.00 C ATOM 480 O LYS A 31 2.143 -0.064 11.787 1.00 0.00 O ATOM 481 CB LYS A 31 4.820 0.644 12.683 1.00 0.00 C ATOM 482 CG LYS A 31 5.848 1.286 13.618 1.00 0.00 C ATOM 483 CD LYS A 31 5.415 2.715 13.955 1.00 0.00 C ATOM 484 CE LYS A 31 6.089 3.694 12.993 1.00 0.00 C ATOM 485 NZ LYS A 31 5.061 4.738 12.724 1.00 0.00 N ATOM 0 H LYS A 31 5.256 -1.719 13.626 1.00 0.00 H new ATOM 0 HA LYS A 31 3.268 0.472 14.216 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.321 -0.010 11.970 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.309 1.414 12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.940 0.698 14.531 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.830 1.295 13.144 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.331 2.805 13.881 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.685 2.955 14.983 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.986 4.128 13.435 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.396 3.196 12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.471 5.483 12.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.249 4.308 12.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.744 5.153 13.623 1.00 0.00 H new ATOM 499 N LEU A 32 2.429 -2.068 12.689 1.00 0.00 N ATOM 500 CA LEU A 32 1.352 -2.667 11.808 1.00 0.00 C ATOM 501 C LEU A 32 0.076 -1.810 11.864 1.00 0.00 C ATOM 502 O LEU A 32 -0.631 -1.701 10.887 1.00 0.00 O ATOM 503 CB LEU A 32 1.080 -4.074 12.351 1.00 0.00 C ATOM 504 CG LEU A 32 2.032 -5.062 11.658 1.00 0.00 C ATOM 505 CD1 LEU A 32 2.710 -5.964 12.694 1.00 0.00 C ATOM 506 CD2 LEU A 32 1.251 -5.913 10.642 1.00 0.00 C ATOM 0 H LEU A 32 2.877 -2.720 13.333 1.00 0.00 H new ATOM 0 HA LEU A 32 1.669 -2.704 10.766 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.230 -4.098 13.430 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.043 -4.356 12.167 1.00 0.00 H new ATOM 0 HG LEU A 32 2.803 -4.499 11.132 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.381 -6.658 12.188 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.280 -5.351 13.392 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.952 -6.525 13.240 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.931 -6.611 10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.468 -6.469 11.158 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.800 -5.262 9.893 1.00 0.00 H new ATOM 518 N GLU A 33 -0.208 -1.169 12.984 1.00 0.00 N ATOM 519 CA GLU A 33 -1.426 -0.289 13.032 1.00 0.00 C ATOM 520 C GLU A 33 -1.139 0.962 12.188 1.00 0.00 C ATOM 521 O GLU A 33 -1.951 1.372 11.380 1.00 0.00 O ATOM 522 CB GLU A 33 -1.653 0.088 14.505 1.00 0.00 C ATOM 523 CG GLU A 33 -2.082 -1.152 15.291 1.00 0.00 C ATOM 524 CD GLU A 33 -3.046 -0.744 16.406 1.00 0.00 C ATOM 525 OE1 GLU A 33 -2.589 -0.144 17.365 1.00 0.00 O ATOM 526 OE2 GLU A 33 -4.223 -1.037 16.282 1.00 0.00 O ATOM 0 H GLU A 33 0.337 -1.216 13.845 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.313 -0.785 12.638 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.739 0.502 14.930 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.418 0.861 14.579 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.563 -1.869 14.625 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.208 -1.647 15.715 1.00 0.00 H new ATOM 533 N GLN A 34 0.033 1.552 12.343 1.00 0.00 N ATOM 534 CA GLN A 34 0.382 2.761 11.507 1.00 0.00 C ATOM 535 C GLN A 34 0.392 2.392 10.012 1.00 0.00 C ATOM 536 O GLN A 34 0.208 3.247 9.168 1.00 0.00 O ATOM 537 CB GLN A 34 1.787 3.219 11.940 1.00 0.00 C ATOM 538 CG GLN A 34 1.667 4.299 13.022 1.00 0.00 C ATOM 539 CD GLN A 34 1.885 5.684 12.398 1.00 0.00 C ATOM 540 OE1 GLN A 34 2.641 6.481 12.918 1.00 0.00 O ATOM 541 NE2 GLN A 34 1.254 6.014 11.295 1.00 0.00 N ATOM 0 H GLN A 34 0.753 1.255 13.001 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.352 3.553 11.652 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.356 2.371 12.321 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.334 3.610 11.082 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.684 4.251 13.490 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.402 4.124 13.807 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.618 5.350 10.853 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.400 6.934 10.880 1.00 0.00 H new ATOM 550 N VAL A 35 0.609 1.135 9.668 1.00 0.00 N ATOM 551 CA VAL A 35 0.630 0.752 8.217 1.00 0.00 C ATOM 552 C VAL A 35 -0.730 0.146 7.824 1.00 0.00 C ATOM 553 O VAL A 35 -1.299 0.507 6.812 1.00 0.00 O ATOM 554 CB VAL A 35 1.753 -0.301 8.044 1.00 0.00 C ATOM 555 CG1 VAL A 35 2.195 -0.329 6.581 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.976 0.024 8.930 1.00 0.00 C ATOM 0 H VAL A 35 0.770 0.370 10.323 1.00 0.00 H new ATOM 0 HA VAL A 35 0.812 1.619 7.582 1.00 0.00 H new ATOM 0 HB VAL A 35 1.357 -1.271 8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.985 -1.069 6.454 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.346 -0.592 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.569 0.654 6.295 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.744 -0.735 8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.375 1.001 8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.674 0.036 9.977 1.00 0.00 H new ATOM 566 N GLU A 36 -1.256 -0.768 8.614 1.00 0.00 N ATOM 567 CA GLU A 36 -2.588 -1.389 8.267 1.00 0.00 C ATOM 568 C GLU A 36 -3.691 -0.318 8.210 1.00 0.00 C ATOM 569 O GLU A 36 -4.626 -0.439 7.442 1.00 0.00 O ATOM 570 CB GLU A 36 -2.917 -2.396 9.383 1.00 0.00 C ATOM 571 CG GLU A 36 -3.972 -3.383 8.883 1.00 0.00 C ATOM 572 CD GLU A 36 -4.600 -4.107 10.077 1.00 0.00 C ATOM 573 OE1 GLU A 36 -5.451 -3.517 10.722 1.00 0.00 O ATOM 574 OE2 GLU A 36 -4.219 -5.239 10.324 1.00 0.00 O ATOM 0 H GLU A 36 -0.829 -1.109 9.475 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.536 -1.871 7.291 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.016 -2.931 9.682 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.284 -1.871 10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.741 -2.855 8.319 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.518 -4.105 8.204 1.00 0.00 H new ATOM 581 N LYS A 37 -3.605 0.721 9.021 1.00 0.00 N ATOM 582 CA LYS A 37 -4.682 1.771 8.991 1.00 0.00 C ATOM 583 C LYS A 37 -4.487 2.697 7.791 1.00 0.00 C ATOM 584 O LYS A 37 -5.439 3.018 7.102 1.00 0.00 O ATOM 585 CB LYS A 37 -4.570 2.561 10.304 1.00 0.00 C ATOM 586 CG LYS A 37 -5.216 1.762 11.438 1.00 0.00 C ATOM 587 CD LYS A 37 -5.659 2.718 12.548 1.00 0.00 C ATOM 588 CE LYS A 37 -5.992 1.918 13.809 1.00 0.00 C ATOM 589 NZ LYS A 37 -6.785 2.850 14.657 1.00 0.00 N ATOM 0 H LYS A 37 -2.851 0.884 9.689 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.668 1.317 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.523 2.758 10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -5.061 3.529 10.201 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.073 1.203 11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.508 1.033 11.832 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -4.868 3.438 12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.530 3.288 12.225 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.562 1.021 13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.086 1.592 14.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.051 2.373 15.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.214 3.691 14.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.644 3.138 14.147 1.00 0.00 H new ATOM 603 N GLU A 38 -3.271 3.125 7.515 1.00 0.00 N ATOM 604 CA GLU A 38 -3.072 4.019 6.331 1.00 0.00 C ATOM 605 C GLU A 38 -3.276 3.202 5.044 1.00 0.00 C ATOM 606 O GLU A 38 -3.877 3.676 4.098 1.00 0.00 O ATOM 607 CB GLU A 38 -1.644 4.574 6.422 1.00 0.00 C ATOM 608 CG GLU A 38 -1.632 5.807 7.330 1.00 0.00 C ATOM 609 CD GLU A 38 -1.481 5.372 8.789 1.00 0.00 C ATOM 610 OE1 GLU A 38 -2.412 4.781 9.311 1.00 0.00 O ATOM 611 OE2 GLU A 38 -0.438 5.641 9.361 1.00 0.00 O ATOM 0 H GLU A 38 -2.430 2.899 8.046 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.786 4.842 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.971 3.813 6.816 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.281 4.837 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.812 6.468 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.555 6.373 7.203 1.00 0.00 H new ATOM 618 N LEU A 39 -2.806 1.967 5.002 1.00 0.00 N ATOM 619 CA LEU A 39 -3.021 1.137 3.759 1.00 0.00 C ATOM 620 C LEU A 39 -4.527 0.959 3.515 1.00 0.00 C ATOM 621 O LEU A 39 -4.983 1.007 2.388 1.00 0.00 O ATOM 622 CB LEU A 39 -2.367 -0.235 4.005 1.00 0.00 C ATOM 623 CG LEU A 39 -0.958 -0.242 3.415 1.00 0.00 C ATOM 624 CD1 LEU A 39 -0.048 0.662 4.247 1.00 0.00 C ATOM 625 CD2 LEU A 39 -0.408 -1.670 3.430 1.00 0.00 C ATOM 0 H LEU A 39 -2.295 1.507 5.755 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.583 1.621 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.326 -0.444 5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.967 -1.023 3.549 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.993 0.126 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.957 0.655 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.439 1.679 4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.012 0.297 5.273 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.598 -1.677 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.375 -2.036 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.055 -2.315 2.835 1.00 0.00 H new ATOM 637 N LEU A 40 -5.311 0.760 4.562 1.00 0.00 N ATOM 638 CA LEU A 40 -6.798 0.590 4.357 1.00 0.00 C ATOM 639 C LEU A 40 -7.381 1.814 3.627 1.00 0.00 C ATOM 640 O LEU A 40 -8.288 1.683 2.828 1.00 0.00 O ATOM 641 CB LEU A 40 -7.426 0.464 5.756 1.00 0.00 C ATOM 642 CG LEU A 40 -8.879 0.009 5.625 1.00 0.00 C ATOM 643 CD1 LEU A 40 -8.940 -1.520 5.658 1.00 0.00 C ATOM 644 CD2 LEU A 40 -9.698 0.576 6.786 1.00 0.00 C ATOM 0 H LEU A 40 -4.994 0.709 5.530 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.009 -0.290 3.749 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.863 -0.251 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.379 1.422 6.275 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.288 0.369 4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.976 -1.845 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.357 -1.925 4.831 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.531 -1.880 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.734 0.252 6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.289 0.216 7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.655 1.665 6.764 1.00 0.00 H new ATOM 656 N ARG A 41 -6.872 3.006 3.892 1.00 0.00 N ATOM 657 CA ARG A 41 -7.422 4.224 3.193 1.00 0.00 C ATOM 658 C ARG A 41 -7.279 4.070 1.670 1.00 0.00 C ATOM 659 O ARG A 41 -8.177 4.422 0.927 1.00 0.00 O ATOM 660 CB ARG A 41 -6.597 5.425 3.682 1.00 0.00 C ATOM 661 CG ARG A 41 -7.171 5.938 5.005 1.00 0.00 C ATOM 662 CD ARG A 41 -8.127 7.102 4.732 1.00 0.00 C ATOM 663 NE ARG A 41 -8.505 7.612 6.079 1.00 0.00 N ATOM 664 CZ ARG A 41 -9.723 7.454 6.519 1.00 0.00 C ATOM 665 NH1 ARG A 41 -10.234 6.256 6.607 1.00 0.00 N ATOM 666 NH2 ARG A 41 -10.429 8.493 6.871 1.00 0.00 N ATOM 0 H ARG A 41 -6.113 3.185 4.550 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.481 4.358 3.415 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.555 5.133 3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.613 6.219 2.935 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.698 5.135 5.521 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.364 6.263 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.645 7.878 4.137 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.003 6.771 4.175 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.811 8.085 6.658 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.681 5.444 6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.186 6.132 6.951 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.029 9.429 6.802 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.381 8.370 7.215 1.00 0.00 H new ATOM 680 N VAL A 42 -6.167 3.542 1.194 1.00 0.00 N ATOM 681 CA VAL A 42 -6.005 3.374 -0.295 1.00 0.00 C ATOM 682 C VAL A 42 -7.102 2.436 -0.833 1.00 0.00 C ATOM 683 O VAL A 42 -7.637 2.658 -1.903 1.00 0.00 O ATOM 684 CB VAL A 42 -4.608 2.765 -0.522 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.378 2.531 -2.018 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.545 3.733 0.004 1.00 0.00 C ATOM 0 H VAL A 42 -5.379 3.226 1.759 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.098 4.325 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.540 1.814 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.388 2.100 -2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.135 1.846 -2.400 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.447 3.480 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.554 3.307 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.621 4.681 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.702 3.901 1.069 1.00 0.00 H new ATOM 696 N GLY A 43 -7.447 1.395 -0.100 1.00 0.00 N ATOM 697 CA GLY A 43 -8.512 0.464 -0.579 1.00 0.00 C ATOM 698 C GLY A 43 -9.856 1.205 -0.606 1.00 0.00 C ATOM 699 O GLY A 43 -10.599 1.108 -1.564 1.00 0.00 O ATOM 0 H GLY A 43 -7.036 1.157 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.267 0.094 -1.575 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.575 -0.404 0.077 1.00 0.00 H new ATOM 703 N GLN A 44 -10.174 1.953 0.434 1.00 0.00 N ATOM 704 CA GLN A 44 -11.483 2.703 0.438 1.00 0.00 C ATOM 705 C GLN A 44 -11.477 3.764 -0.676 1.00 0.00 C ATOM 706 O GLN A 44 -12.477 3.976 -1.334 1.00 0.00 O ATOM 707 CB GLN A 44 -11.607 3.381 1.812 1.00 0.00 C ATOM 708 CG GLN A 44 -13.040 3.877 2.008 1.00 0.00 C ATOM 709 CD GLN A 44 -13.394 3.845 3.500 1.00 0.00 C ATOM 710 OE1 GLN A 44 -13.808 2.824 4.011 1.00 0.00 O ATOM 711 NE2 GLN A 44 -13.250 4.926 4.230 1.00 0.00 N ATOM 0 H GLN A 44 -9.596 2.076 1.266 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.322 2.031 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.343 2.678 2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.909 4.215 1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.141 4.891 1.621 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.733 3.251 1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.903 5.786 3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -13.485 4.906 5.222 1.00 0.00 H new ATOM 720 N ILE A 45 -10.358 4.428 -0.900 1.00 0.00 N ATOM 721 CA ILE A 45 -10.313 5.471 -1.992 1.00 0.00 C ATOM 722 C ILE A 45 -10.646 4.812 -3.339 1.00 0.00 C ATOM 723 O ILE A 45 -11.397 5.361 -4.126 1.00 0.00 O ATOM 724 CB ILE A 45 -8.874 6.042 -1.985 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.643 6.811 -0.681 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.664 6.994 -3.166 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.141 6.903 -0.402 1.00 0.00 C ATOM 0 H ILE A 45 -9.488 4.297 -0.385 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.039 6.269 -1.833 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.170 5.214 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.072 7.810 -0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.147 6.308 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.646 7.384 -3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.825 6.456 -4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.371 7.821 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.976 7.450 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.726 5.899 -0.310 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.650 7.425 -1.223 1.00 0.00 H new ATOM 739 N LEU A 46 -10.122 3.635 -3.605 1.00 0.00 N ATOM 740 CA LEU A 46 -10.459 2.960 -4.903 1.00 0.00 C ATOM 741 C LEU A 46 -11.839 2.289 -4.803 1.00 0.00 C ATOM 742 O LEU A 46 -12.558 2.213 -5.782 1.00 0.00 O ATOM 743 CB LEU A 46 -9.368 1.914 -5.170 1.00 0.00 C ATOM 744 CG LEU A 46 -9.617 1.256 -6.533 1.00 0.00 C ATOM 745 CD1 LEU A 46 -9.587 2.317 -7.641 1.00 0.00 C ATOM 746 CD2 LEU A 46 -8.528 0.215 -6.798 1.00 0.00 C ATOM 0 H LEU A 46 -9.488 3.121 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.500 3.682 -5.719 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.385 2.385 -5.155 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.372 1.160 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.595 0.775 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.765 1.841 -8.605 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.363 3.060 -7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.612 2.805 -7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.702 -0.255 -7.766 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.553 0.701 -6.801 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.553 -0.544 -6.016 1.00 0.00 H new ATOM 758 N LYS A 47 -12.235 1.826 -3.629 1.00 0.00 N ATOM 759 CA LYS A 47 -13.593 1.200 -3.503 1.00 0.00 C ATOM 760 C LYS A 47 -14.666 2.299 -3.505 1.00 0.00 C ATOM 761 O LYS A 47 -15.793 2.058 -3.899 1.00 0.00 O ATOM 762 CB LYS A 47 -13.610 0.435 -2.169 1.00 0.00 C ATOM 763 CG LYS A 47 -14.927 -0.334 -2.037 1.00 0.00 C ATOM 764 CD LYS A 47 -15.926 0.492 -1.223 1.00 0.00 C ATOM 765 CE LYS A 47 -15.790 0.141 0.261 1.00 0.00 C ATOM 766 NZ LYS A 47 -16.082 1.410 0.984 1.00 0.00 N ATOM 0 H LYS A 47 -11.684 1.856 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.800 0.525 -4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.768 -0.255 -2.123 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.498 1.131 -1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.336 -0.547 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.752 -1.294 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.743 1.556 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -16.942 0.292 -1.563 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.488 -0.646 0.546 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.789 -0.223 0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.959 1.263 2.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.430 2.152 0.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.062 1.702 0.792 1.00 0.00 H new ATOM 780 N GLU A 48 -14.341 3.513 -3.070 1.00 0.00 N ATOM 781 CA GLU A 48 -15.378 4.606 -3.064 1.00 0.00 C ATOM 782 C GLU A 48 -16.037 4.730 -4.455 1.00 0.00 C ATOM 783 O GLU A 48 -15.355 4.657 -5.457 1.00 0.00 O ATOM 784 CB GLU A 48 -14.634 5.906 -2.719 1.00 0.00 C ATOM 785 CG GLU A 48 -14.664 6.125 -1.205 1.00 0.00 C ATOM 786 CD GLU A 48 -14.750 7.624 -0.906 1.00 0.00 C ATOM 787 OE1 GLU A 48 -15.542 8.292 -1.549 1.00 0.00 O ATOM 788 OE2 GLU A 48 -14.021 8.077 -0.039 1.00 0.00 O ATOM 0 H GLU A 48 -13.419 3.784 -2.727 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.168 4.393 -2.343 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.603 5.851 -3.069 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.099 6.750 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.518 5.607 -0.769 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.769 5.703 -0.748 1.00 0.00 H new ATOM 795 N PRO A 49 -17.343 4.905 -4.482 1.00 0.00 N ATOM 796 CA PRO A 49 -18.057 5.023 -5.783 1.00 0.00 C ATOM 797 C PRO A 49 -17.756 6.368 -6.466 1.00 0.00 C ATOM 798 O PRO A 49 -17.661 6.434 -7.678 1.00 0.00 O ATOM 799 CB PRO A 49 -19.530 4.929 -5.396 1.00 0.00 C ATOM 800 CG PRO A 49 -19.585 5.379 -3.972 1.00 0.00 C ATOM 801 CD PRO A 49 -18.268 5.010 -3.342 1.00 0.00 C ATOM 0 HA PRO A 49 -17.754 4.257 -6.497 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -20.147 5.562 -6.034 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.902 3.910 -5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.752 6.454 -3.914 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.411 4.899 -3.448 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.940 5.768 -2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.337 4.069 -2.796 1.00 0.00 H new ATOM 809 N LYS A 50 -17.585 7.437 -5.712 1.00 0.00 N ATOM 810 CA LYS A 50 -17.266 8.759 -6.358 1.00 0.00 C ATOM 811 C LYS A 50 -15.779 8.784 -6.744 1.00 0.00 C ATOM 812 O LYS A 50 -15.410 9.326 -7.769 1.00 0.00 O ATOM 813 CB LYS A 50 -17.572 9.847 -5.318 1.00 0.00 C ATOM 814 CG LYS A 50 -17.607 11.214 -6.005 1.00 0.00 C ATOM 815 CD LYS A 50 -18.940 11.385 -6.738 1.00 0.00 C ATOM 816 CE LYS A 50 -19.243 12.875 -6.905 1.00 0.00 C ATOM 817 NZ LYS A 50 -18.553 13.268 -8.166 1.00 0.00 N ATOM 0 H LYS A 50 -17.651 7.452 -4.694 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.854 8.921 -7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -18.529 9.646 -4.836 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.813 9.841 -4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.482 12.007 -5.267 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -16.779 11.300 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.896 10.901 -7.713 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -19.740 10.901 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.316 13.055 -6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.873 13.451 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.714 14.279 -8.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -17.532 13.092 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -18.930 12.708 -8.957 1.00 0.00 H new ATOM 831 N MET A 51 -14.924 8.186 -5.937 1.00 0.00 N ATOM 832 CA MET A 51 -13.463 8.161 -6.278 1.00 0.00 C ATOM 833 C MET A 51 -13.151 7.004 -7.248 1.00 0.00 C ATOM 834 O MET A 51 -12.228 7.096 -8.037 1.00 0.00 O ATOM 835 CB MET A 51 -12.725 7.962 -4.949 1.00 0.00 C ATOM 836 CG MET A 51 -11.221 8.010 -5.191 1.00 0.00 C ATOM 837 SD MET A 51 -10.661 9.731 -5.207 1.00 0.00 S ATOM 838 CE MET A 51 -9.467 9.569 -6.557 1.00 0.00 C ATOM 0 H MET A 51 -15.175 7.719 -5.065 1.00 0.00 H new ATOM 0 HA MET A 51 -13.154 9.081 -6.774 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.015 8.737 -4.240 1.00 0.00 H new ATOM 0 HB3 MET A 51 -13.003 7.005 -4.506 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.699 7.455 -4.411 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.980 7.530 -6.140 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.465 9.781 -6.184 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.500 8.554 -6.952 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.716 10.275 -7.350 1.00 0.00 H new ATOM 848 N ALA A 52 -13.903 5.912 -7.211 1.00 0.00 N ATOM 849 CA ALA A 52 -13.612 4.770 -8.157 1.00 0.00 C ATOM 850 C ALA A 52 -13.618 5.268 -9.614 1.00 0.00 C ATOM 851 O ALA A 52 -12.817 4.833 -10.421 1.00 0.00 O ATOM 852 CB ALA A 52 -14.729 3.732 -7.956 1.00 0.00 C ATOM 0 H ALA A 52 -14.690 5.766 -6.579 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.631 4.340 -7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.562 2.884 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.725 3.388 -6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.693 4.187 -8.183 1.00 0.00 H new ATOM 858 N ALA A 53 -14.510 6.177 -9.957 1.00 0.00 N ATOM 859 CA ALA A 53 -14.543 6.690 -11.375 1.00 0.00 C ATOM 860 C ALA A 53 -13.234 7.429 -11.706 1.00 0.00 C ATOM 861 O ALA A 53 -12.731 7.330 -12.810 1.00 0.00 O ATOM 862 CB ALA A 53 -15.734 7.656 -11.471 1.00 0.00 C ATOM 0 H ALA A 53 -15.206 6.581 -9.329 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.647 5.868 -12.083 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.799 8.054 -12.483 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -16.654 7.124 -11.231 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.595 8.476 -10.767 1.00 0.00 H new ATOM 868 N SER A 54 -12.677 8.171 -10.767 1.00 0.00 N ATOM 869 CA SER A 54 -11.394 8.908 -11.065 1.00 0.00 C ATOM 870 C SER A 54 -10.236 7.913 -11.229 1.00 0.00 C ATOM 871 O SER A 54 -9.389 8.088 -12.084 1.00 0.00 O ATOM 872 CB SER A 54 -11.130 9.838 -9.870 1.00 0.00 C ATOM 873 OG SER A 54 -12.199 10.765 -9.751 1.00 0.00 O ATOM 0 H SER A 54 -13.046 8.297 -9.825 1.00 0.00 H new ATOM 0 HA SER A 54 -11.475 9.475 -11.992 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.036 9.254 -8.954 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.188 10.368 -10.008 1.00 0.00 H new ATOM 0 HG SER A 54 -12.034 11.358 -8.989 1.00 0.00 H new ATOM 879 N LEU A 55 -10.187 6.869 -10.426 1.00 0.00 N ATOM 880 CA LEU A 55 -9.065 5.871 -10.568 1.00 0.00 C ATOM 881 C LEU A 55 -9.270 4.994 -11.820 1.00 0.00 C ATOM 882 O LEU A 55 -8.311 4.532 -12.410 1.00 0.00 O ATOM 883 CB LEU A 55 -9.085 5.005 -9.300 1.00 0.00 C ATOM 884 CG LEU A 55 -8.398 5.761 -8.160 1.00 0.00 C ATOM 885 CD1 LEU A 55 -9.078 5.416 -6.835 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.924 5.357 -8.095 1.00 0.00 C ATOM 0 H LEU A 55 -10.863 6.665 -9.690 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.107 6.378 -10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.112 4.765 -9.026 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.575 4.059 -9.484 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.474 6.833 -8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.588 5.955 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.128 5.704 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.003 4.343 -6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.435 5.895 -7.283 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.848 4.284 -7.917 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.437 5.603 -9.039 1.00 0.00 H new ATOM 898 N LEU A 56 -10.502 4.761 -12.239 1.00 0.00 N ATOM 899 CA LEU A 56 -10.728 3.915 -13.463 1.00 0.00 C ATOM 900 C LEU A 56 -10.744 4.780 -14.741 1.00 0.00 C ATOM 901 O LEU A 56 -10.480 4.277 -15.816 1.00 0.00 O ATOM 902 CB LEU A 56 -12.096 3.223 -13.251 1.00 0.00 C ATOM 903 CG LEU A 56 -12.411 2.198 -14.368 1.00 0.00 C ATOM 904 CD1 LEU A 56 -12.850 2.923 -15.648 1.00 0.00 C ATOM 905 CD2 LEU A 56 -11.186 1.316 -14.666 1.00 0.00 C ATOM 0 H LEU A 56 -11.347 5.115 -11.792 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.927 3.188 -13.595 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -12.100 2.718 -12.285 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.882 3.977 -13.220 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.223 1.560 -14.020 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -13.068 2.190 -16.425 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -13.744 3.512 -15.444 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -12.050 3.582 -15.985 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -11.433 0.604 -15.454 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.356 1.944 -14.991 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.900 0.774 -13.765 1.00 0.00 H new ATOM 917 N ASN A 57 -11.061 6.064 -14.651 1.00 0.00 N ATOM 918 CA ASN A 57 -11.097 6.920 -15.901 1.00 0.00 C ATOM 919 C ASN A 57 -9.806 6.749 -16.725 1.00 0.00 C ATOM 920 O ASN A 57 -8.745 6.553 -16.166 1.00 0.00 O ATOM 921 CB ASN A 57 -11.225 8.386 -15.439 1.00 0.00 C ATOM 922 CG ASN A 57 -12.160 9.144 -16.388 1.00 0.00 C ATOM 923 OD1 ASN A 57 -11.780 10.153 -16.949 1.00 0.00 O ATOM 924 ND2 ASN A 57 -13.379 8.705 -16.596 1.00 0.00 N ATOM 0 H ASN A 57 -11.292 6.549 -13.784 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.933 6.625 -16.535 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -11.614 8.425 -14.421 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.244 8.860 -15.424 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.002 9.210 -17.226 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.703 7.859 -16.128 1.00 0.00 H new ATOM 931 N PRO A 58 -9.931 6.846 -18.038 1.00 0.00 N ATOM 932 CA PRO A 58 -8.740 6.714 -18.918 1.00 0.00 C ATOM 933 C PRO A 58 -7.860 7.991 -18.903 1.00 0.00 C ATOM 934 O PRO A 58 -6.809 8.013 -19.515 1.00 0.00 O ATOM 935 CB PRO A 58 -9.341 6.502 -20.304 1.00 0.00 C ATOM 936 CG PRO A 58 -10.700 7.124 -20.248 1.00 0.00 C ATOM 937 CD PRO A 58 -11.162 7.077 -18.815 1.00 0.00 C ATOM 0 HA PRO A 58 -8.084 5.905 -18.597 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.727 6.969 -21.074 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.404 5.441 -20.547 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.665 8.153 -20.606 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.395 6.585 -20.892 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.646 8.009 -18.523 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.887 6.278 -18.658 1.00 0.00 H new ATOM 945 N TYR A 59 -8.260 9.048 -18.212 1.00 0.00 N ATOM 946 CA TYR A 59 -7.416 10.289 -18.179 1.00 0.00 C ATOM 947 C TYR A 59 -6.435 10.268 -16.984 1.00 0.00 C ATOM 948 O TYR A 59 -5.481 11.025 -16.966 1.00 0.00 O ATOM 949 CB TYR A 59 -8.407 11.454 -18.043 1.00 0.00 C ATOM 950 CG TYR A 59 -9.193 11.591 -19.327 1.00 0.00 C ATOM 951 CD1 TYR A 59 -10.294 10.755 -19.572 1.00 0.00 C ATOM 952 CD2 TYR A 59 -8.818 12.549 -20.276 1.00 0.00 C ATOM 953 CE1 TYR A 59 -11.015 10.882 -20.765 1.00 0.00 C ATOM 954 CE2 TYR A 59 -9.541 12.674 -21.468 1.00 0.00 C ATOM 955 CZ TYR A 59 -10.639 11.840 -21.713 1.00 0.00 C ATOM 956 OH TYR A 59 -11.350 11.964 -22.889 1.00 0.00 O ATOM 0 H TYR A 59 -9.127 9.099 -17.677 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.803 10.376 -19.076 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.083 11.276 -17.206 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.872 12.379 -17.830 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.584 10.015 -18.841 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.971 13.192 -20.089 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.863 10.240 -20.954 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.252 13.414 -22.199 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.957 12.677 -23.435 1.00 0.00 H new ATOM 966 N VAL A 60 -6.640 9.415 -15.991 1.00 0.00 N ATOM 967 CA VAL A 60 -5.685 9.382 -14.830 1.00 0.00 C ATOM 968 C VAL A 60 -4.570 8.354 -15.097 1.00 0.00 C ATOM 969 O VAL A 60 -4.421 7.393 -14.365 1.00 0.00 O ATOM 970 CB VAL A 60 -6.507 8.996 -13.581 1.00 0.00 C ATOM 971 CG1 VAL A 60 -7.650 9.998 -13.398 1.00 0.00 C ATOM 972 CG2 VAL A 60 -7.087 7.576 -13.727 1.00 0.00 C ATOM 0 H VAL A 60 -7.415 8.753 -15.939 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.206 10.350 -14.682 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.851 9.015 -12.711 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.233 9.729 -12.517 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.239 10.999 -13.269 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.293 9.981 -14.278 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.662 7.325 -12.836 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.736 7.536 -14.601 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.273 6.861 -13.847 1.00 0.00 H new ATOM 982 N LYS A 61 -3.793 8.543 -16.147 1.00 0.00 N ATOM 983 CA LYS A 61 -2.687 7.559 -16.467 1.00 0.00 C ATOM 984 C LYS A 61 -1.833 7.256 -15.218 1.00 0.00 C ATOM 985 O LYS A 61 -1.992 7.886 -14.190 1.00 0.00 O ATOM 986 CB LYS A 61 -1.811 8.219 -17.545 1.00 0.00 C ATOM 987 CG LYS A 61 -2.288 7.779 -18.930 1.00 0.00 C ATOM 988 CD LYS A 61 -1.236 8.154 -19.975 1.00 0.00 C ATOM 989 CE LYS A 61 -1.905 8.296 -21.345 1.00 0.00 C ATOM 990 NZ LYS A 61 -2.348 9.716 -21.410 1.00 0.00 N ATOM 0 H LYS A 61 -3.873 9.328 -16.793 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.108 6.614 -16.810 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.865 9.304 -17.458 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.767 7.939 -17.402 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.460 6.703 -18.942 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.238 8.257 -19.168 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.749 9.089 -19.697 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.459 7.390 -20.015 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.209 8.062 -22.151 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.749 7.614 -21.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.817 9.892 -22.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.015 9.907 -20.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.522 10.342 -21.319 1.00 0.00 H new ATOM 1004 N ARG A 62 -0.936 6.294 -15.300 1.00 0.00 N ATOM 1005 CA ARG A 62 -0.086 5.963 -14.098 1.00 0.00 C ATOM 1006 C ARG A 62 0.882 7.115 -13.793 1.00 0.00 C ATOM 1007 O ARG A 62 0.982 7.553 -12.662 1.00 0.00 O ATOM 1008 CB ARG A 62 0.700 4.689 -14.451 1.00 0.00 C ATOM 1009 CG ARG A 62 1.519 4.240 -13.239 1.00 0.00 C ATOM 1010 CD ARG A 62 2.054 2.826 -13.480 1.00 0.00 C ATOM 1011 NE ARG A 62 2.974 2.955 -14.643 1.00 0.00 N ATOM 1012 CZ ARG A 62 2.799 2.210 -15.700 1.00 0.00 C ATOM 1013 NH1 ARG A 62 3.215 0.972 -15.702 1.00 0.00 N ATOM 1014 NH2 ARG A 62 2.206 2.700 -16.753 1.00 0.00 N ATOM 0 H ARG A 62 -0.756 5.731 -16.131 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.704 5.812 -13.213 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.014 3.898 -14.752 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.359 4.879 -15.298 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.346 4.929 -13.070 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.900 4.258 -12.342 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.578 2.447 -12.602 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.244 2.129 -13.693 1.00 0.00 H new ATOM 0 HE ARG A 62 3.742 3.626 -14.614 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.676 0.588 -14.878 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.078 0.389 -16.528 1.00 0.00 H new ATOM 0 HH21 ARG A 62 1.879 3.666 -16.751 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.070 2.117 -17.579 1.00 0.00 H new ATOM 1028 N SER A 63 1.602 7.611 -14.782 1.00 0.00 N ATOM 1029 CA SER A 63 2.567 8.741 -14.508 1.00 0.00 C ATOM 1030 C SER A 63 1.826 9.936 -13.891 1.00 0.00 C ATOM 1031 O SER A 63 2.223 10.444 -12.859 1.00 0.00 O ATOM 1032 CB SER A 63 3.182 9.139 -15.859 1.00 0.00 C ATOM 1033 OG SER A 63 4.460 9.722 -15.640 1.00 0.00 O ATOM 0 H SER A 63 1.566 7.291 -15.750 1.00 0.00 H new ATOM 0 HA SER A 63 3.339 8.431 -13.803 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.274 8.263 -16.502 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.531 9.845 -16.374 1.00 0.00 H new ATOM 0 HG SER A 63 4.856 9.975 -16.500 1.00 0.00 H new ATOM 1039 N VAL A 64 0.748 10.386 -14.502 1.00 0.00 N ATOM 1040 CA VAL A 64 -0.005 11.549 -13.912 1.00 0.00 C ATOM 1041 C VAL A 64 -0.568 11.141 -12.541 1.00 0.00 C ATOM 1042 O VAL A 64 -0.520 11.908 -11.597 1.00 0.00 O ATOM 1043 CB VAL A 64 -1.147 11.885 -14.888 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -1.961 13.064 -14.345 1.00 0.00 C ATOM 1045 CG2 VAL A 64 -0.560 12.259 -16.255 1.00 0.00 C ATOM 0 H VAL A 64 0.363 10.007 -15.367 1.00 0.00 H new ATOM 0 HA VAL A 64 0.639 12.417 -13.770 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.796 11.016 -14.994 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.768 13.299 -15.039 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.382 12.800 -13.375 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.313 13.933 -14.235 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.369 12.497 -16.946 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.091 13.126 -16.146 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.016 11.420 -16.646 1.00 0.00 H new ATOM 1055 N LYS A 65 -1.091 9.936 -12.417 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.639 9.496 -11.084 1.00 0.00 C ATOM 1057 C LYS A 65 -0.518 9.485 -10.032 1.00 0.00 C ATOM 1058 O LYS A 65 -0.749 9.814 -8.882 1.00 0.00 O ATOM 1059 CB LYS A 65 -2.199 8.077 -11.277 1.00 0.00 C ATOM 1060 CG LYS A 65 -2.975 7.661 -10.026 1.00 0.00 C ATOM 1061 CD LYS A 65 -4.337 8.357 -10.015 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.758 8.634 -8.570 1.00 0.00 C ATOM 1063 NZ LYS A 65 -5.533 9.904 -8.633 1.00 0.00 N ATOM 0 H LYS A 65 -1.162 9.249 -13.167 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.416 10.177 -10.736 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.852 8.048 -12.149 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.386 7.376 -11.464 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.108 6.579 -10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.412 7.926 -9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.284 9.291 -10.575 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.081 7.731 -10.508 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.365 7.820 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.890 8.733 -7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.857 10.161 -7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.928 10.662 -9.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.356 9.778 -9.256 1.00 0.00 H new ATOM 1077 N VAL A 66 0.695 9.110 -10.403 1.00 0.00 N ATOM 1078 CA VAL A 66 1.808 9.093 -9.385 1.00 0.00 C ATOM 1079 C VAL A 66 2.022 10.510 -8.827 1.00 0.00 C ATOM 1080 O VAL A 66 2.226 10.681 -7.640 1.00 0.00 O ATOM 1081 CB VAL A 66 3.078 8.601 -10.112 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.252 8.564 -9.127 1.00 0.00 C ATOM 1083 CG2 VAL A 66 2.838 7.192 -10.680 1.00 0.00 C ATOM 0 H VAL A 66 0.957 8.821 -11.345 1.00 0.00 H new ATOM 0 HA VAL A 66 1.569 8.437 -8.548 1.00 0.00 H new ATOM 0 HB VAL A 66 3.312 9.284 -10.929 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.148 8.216 -9.642 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.426 9.564 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.018 7.885 -8.307 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.737 6.848 -11.192 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.600 6.507 -9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.007 7.221 -11.385 1.00 0.00 H new ATOM 1093 N LYS A 67 1.968 11.527 -9.665 1.00 0.00 N ATOM 1094 CA LYS A 67 2.160 12.926 -9.140 1.00 0.00 C ATOM 1095 C LYS A 67 0.944 13.317 -8.292 1.00 0.00 C ATOM 1096 O LYS A 67 1.087 13.884 -7.225 1.00 0.00 O ATOM 1097 CB LYS A 67 2.286 13.851 -10.359 1.00 0.00 C ATOM 1098 CG LYS A 67 3.159 15.055 -10.000 1.00 0.00 C ATOM 1099 CD LYS A 67 3.023 16.127 -11.085 1.00 0.00 C ATOM 1100 CE LYS A 67 4.058 15.878 -12.185 1.00 0.00 C ATOM 1101 NZ LYS A 67 3.309 15.178 -13.266 1.00 0.00 N ATOM 0 H LYS A 67 1.803 11.453 -10.669 1.00 0.00 H new ATOM 0 HA LYS A 67 3.050 13.001 -8.515 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.724 13.308 -11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.299 14.186 -10.678 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.858 15.460 -9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.200 14.747 -9.906 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.018 16.107 -11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.168 17.117 -10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.486 16.814 -12.544 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.885 15.269 -11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.898 14.416 -13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.434 14.773 -12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.072 15.855 -14.019 1.00 0.00 H new ATOM 1115 N SER A 68 -0.254 12.999 -8.743 1.00 0.00 N ATOM 1116 CA SER A 68 -1.469 13.346 -7.926 1.00 0.00 C ATOM 1117 C SER A 68 -1.461 12.528 -6.624 1.00 0.00 C ATOM 1118 O SER A 68 -1.832 13.025 -5.578 1.00 0.00 O ATOM 1119 CB SER A 68 -2.697 12.984 -8.775 1.00 0.00 C ATOM 1120 OG SER A 68 -3.842 13.641 -8.247 1.00 0.00 O ATOM 0 H SER A 68 -0.441 12.523 -9.625 1.00 0.00 H new ATOM 0 HA SER A 68 -1.483 14.404 -7.662 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.538 13.282 -9.811 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.849 11.905 -8.773 1.00 0.00 H new ATOM 0 HG SER A 68 -4.628 13.414 -8.787 1.00 0.00 H new ATOM 1126 N LEU A 69 -1.032 11.277 -6.673 1.00 0.00 N ATOM 1127 CA LEU A 69 -1.005 10.453 -5.412 1.00 0.00 C ATOM 1128 C LEU A 69 -0.064 11.106 -4.386 1.00 0.00 C ATOM 1129 O LEU A 69 -0.366 11.144 -3.207 1.00 0.00 O ATOM 1130 CB LEU A 69 -0.485 9.056 -5.795 1.00 0.00 C ATOM 1131 CG LEU A 69 -1.163 8.000 -4.920 1.00 0.00 C ATOM 1132 CD1 LEU A 69 -2.663 7.968 -5.225 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -0.557 6.627 -5.219 1.00 0.00 C ATOM 0 H LEU A 69 -0.706 10.801 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.997 10.385 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.689 8.857 -6.847 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.596 9.011 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.010 8.248 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.145 7.215 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.098 8.945 -5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.815 7.720 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.039 5.873 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.711 6.382 -6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.511 6.646 -5.004 1.00 0.00 H new ATOM 1145 N SER A 70 1.070 11.630 -4.818 1.00 0.00 N ATOM 1146 CA SER A 70 2.006 12.283 -3.832 1.00 0.00 C ATOM 1147 C SER A 70 1.302 13.477 -3.174 1.00 0.00 C ATOM 1148 O SER A 70 1.303 13.608 -1.964 1.00 0.00 O ATOM 1149 CB SER A 70 3.232 12.759 -4.626 1.00 0.00 C ATOM 1150 OG SER A 70 4.085 11.651 -4.883 1.00 0.00 O ATOM 0 H SER A 70 1.382 11.634 -5.789 1.00 0.00 H new ATOM 0 HA SER A 70 2.304 11.589 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.917 13.215 -5.564 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.769 13.523 -4.064 1.00 0.00 H new ATOM 0 HG SER A 70 4.867 11.951 -5.391 1.00 0.00 H new ATOM 1156 N ASP A 71 0.682 14.341 -3.955 1.00 0.00 N ATOM 1157 CA ASP A 71 -0.039 15.513 -3.339 1.00 0.00 C ATOM 1158 C ASP A 71 -1.284 15.030 -2.572 1.00 0.00 C ATOM 1159 O ASP A 71 -1.698 15.659 -1.616 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.450 16.441 -4.493 1.00 0.00 C ATOM 1161 CG ASP A 71 0.802 17.040 -5.138 1.00 0.00 C ATOM 1162 OD1 ASP A 71 1.753 16.302 -5.334 1.00 0.00 O ATOM 1163 OD2 ASP A 71 0.788 18.226 -5.424 1.00 0.00 O ATOM 0 H ASP A 71 0.643 14.288 -4.973 1.00 0.00 H new ATOM 0 HA ASP A 71 0.602 16.036 -2.629 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.023 15.885 -5.235 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.096 17.236 -4.122 1.00 0.00 H new ATOM 1168 N MET A 72 -1.872 13.908 -2.953 1.00 0.00 N ATOM 1169 CA MET A 72 -3.066 13.402 -2.194 1.00 0.00 C ATOM 1170 C MET A 72 -2.571 12.717 -0.914 1.00 0.00 C ATOM 1171 O MET A 72 -3.166 12.855 0.137 1.00 0.00 O ATOM 1172 CB MET A 72 -3.781 12.393 -3.105 1.00 0.00 C ATOM 1173 CG MET A 72 -5.178 12.105 -2.553 1.00 0.00 C ATOM 1174 SD MET A 72 -5.771 10.525 -3.205 1.00 0.00 S ATOM 1175 CE MET A 72 -4.691 9.454 -2.224 1.00 0.00 C ATOM 0 H MET A 72 -1.580 13.333 -3.743 1.00 0.00 H new ATOM 0 HA MET A 72 -3.749 14.205 -1.918 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.854 12.790 -4.118 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.205 11.470 -3.165 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.151 12.074 -1.464 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.863 12.906 -2.832 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.351 8.620 -2.838 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.830 10.025 -1.878 1.00 0.00 H new ATOM 0 HE3 MET A 72 -5.242 9.071 -1.365 1.00 0.00 H new ATOM 1185 N THR A 73 -1.463 11.995 -0.987 1.00 0.00 N ATOM 1186 CA THR A 73 -0.923 11.326 0.251 1.00 0.00 C ATOM 1187 C THR A 73 -0.685 12.399 1.342 1.00 0.00 C ATOM 1188 O THR A 73 -0.950 12.166 2.506 1.00 0.00 O ATOM 1189 CB THR A 73 0.389 10.583 -0.180 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.151 9.185 -0.182 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.570 10.879 0.754 1.00 0.00 C ATOM 0 H THR A 73 -0.920 11.844 -1.837 1.00 0.00 H new ATOM 0 HA THR A 73 -1.615 10.601 0.680 1.00 0.00 H new ATOM 0 HB THR A 73 0.654 10.943 -1.174 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.569 8.977 -0.813 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.451 10.339 0.408 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.776 11.949 0.752 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.322 10.559 1.766 1.00 0.00 H new ATOM 1199 N ALA A 74 -0.199 13.575 0.973 1.00 0.00 N ATOM 1200 CA ALA A 74 0.031 14.645 2.015 1.00 0.00 C ATOM 1201 C ALA A 74 -1.269 14.912 2.794 1.00 0.00 C ATOM 1202 O ALA A 74 -1.237 15.153 3.986 1.00 0.00 O ATOM 1203 CB ALA A 74 0.469 15.913 1.265 1.00 0.00 C ATOM 0 H ALA A 74 0.043 13.835 0.017 1.00 0.00 H new ATOM 0 HA ALA A 74 0.791 14.335 2.732 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.647 16.716 1.981 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.386 15.710 0.712 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.315 16.214 0.570 1.00 0.00 H new ATOM 1209 N LYS A 75 -2.414 14.848 2.141 1.00 0.00 N ATOM 1210 CA LYS A 75 -3.699 15.075 2.874 1.00 0.00 C ATOM 1211 C LYS A 75 -4.398 13.731 3.158 1.00 0.00 C ATOM 1212 O LYS A 75 -5.611 13.670 3.230 1.00 0.00 O ATOM 1213 CB LYS A 75 -4.559 15.944 1.949 1.00 0.00 C ATOM 1214 CG LYS A 75 -4.031 17.379 1.958 1.00 0.00 C ATOM 1215 CD LYS A 75 -4.246 18.013 0.582 1.00 0.00 C ATOM 1216 CE LYS A 75 -3.502 19.347 0.511 1.00 0.00 C ATOM 1217 NZ LYS A 75 -4.489 20.363 0.971 1.00 0.00 N ATOM 0 H LYS A 75 -2.509 14.651 1.145 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.534 15.559 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.539 15.544 0.935 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.598 15.926 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.545 17.962 2.722 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.971 17.386 2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -3.887 17.343 -0.199 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.310 18.168 0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.617 19.340 1.147 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.163 19.557 -0.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.052 21.306 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.318 20.352 0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.788 20.142 1.942 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.650 12.652 3.334 1.00 0.00 N ATOM 1232 CA GLU A 76 -4.292 11.334 3.623 1.00 0.00 C ATOM 1233 C GLU A 76 -3.598 10.623 4.808 1.00 0.00 C ATOM 1234 O GLU A 76 -3.691 9.418 4.941 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.122 10.524 2.340 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.135 11.001 1.297 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.538 10.542 1.700 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.723 9.348 1.872 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -7.404 11.391 1.832 1.00 0.00 O ATOM 0 H GLU A 76 -2.631 12.637 3.288 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.338 11.448 3.906 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.108 10.639 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.267 9.463 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.106 12.088 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.878 10.602 0.316 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.916 11.349 5.683 1.00 0.00 N ATOM 1247 CA LYS A 77 -2.241 10.706 6.859 1.00 0.00 C ATOM 1248 C LYS A 77 -1.200 9.660 6.426 1.00 0.00 C ATOM 1249 O LYS A 77 -0.965 8.700 7.138 1.00 0.00 O ATOM 1250 CB LYS A 77 -3.360 10.041 7.672 1.00 0.00 C ATOM 1251 CG LYS A 77 -2.875 9.793 9.102 1.00 0.00 C ATOM 1252 CD LYS A 77 -3.062 11.066 9.931 1.00 0.00 C ATOM 1253 CE LYS A 77 -4.450 11.057 10.577 1.00 0.00 C ATOM 1254 NZ LYS A 77 -4.293 10.242 11.814 1.00 0.00 N ATOM 0 H LYS A 77 -2.802 12.361 5.626 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.696 11.450 7.440 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.244 10.678 7.682 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.651 9.099 7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.432 8.970 9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.825 9.501 9.096 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.292 11.128 10.700 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.950 11.945 9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.784 12.068 10.810 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.194 10.622 9.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.192 9.766 12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.550 9.529 11.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.027 10.861 12.606 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.547 9.836 5.291 1.00 0.00 N ATOM 1269 CA PHE A 78 0.494 8.841 4.879 1.00 0.00 C ATOM 1270 C PHE A 78 1.885 9.450 5.069 1.00 0.00 C ATOM 1271 O PHE A 78 2.091 10.617 4.790 1.00 0.00 O ATOM 1272 CB PHE A 78 0.251 8.541 3.396 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.092 7.869 3.177 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.649 7.004 4.139 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.781 8.112 1.985 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.883 6.402 3.896 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -3.014 7.504 1.746 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.568 6.651 2.703 1.00 0.00 C ATOM 0 H PHE A 78 -0.690 10.613 4.646 1.00 0.00 H new ATOM 0 HA PHE A 78 0.436 7.931 5.476 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.292 9.468 2.825 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.046 7.898 3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.122 6.808 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -1.356 8.774 1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.312 5.740 4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.540 7.693 0.822 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.525 6.184 2.522 1.00 0.00 H new ATOM 1288 N SER A 79 2.850 8.679 5.535 1.00 0.00 N ATOM 1289 CA SER A 79 4.234 9.245 5.730 1.00 0.00 C ATOM 1290 C SER A 79 5.215 8.199 6.300 1.00 0.00 C ATOM 1291 O SER A 79 6.206 7.896 5.663 1.00 0.00 O ATOM 1292 CB SER A 79 4.082 10.422 6.708 1.00 0.00 C ATOM 1293 OG SER A 79 5.258 10.536 7.500 1.00 0.00 O ATOM 0 H SER A 79 2.742 7.696 5.786 1.00 0.00 H new ATOM 0 HA SER A 79 4.650 9.559 4.773 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.911 11.347 6.157 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.213 10.267 7.348 1.00 0.00 H new ATOM 0 HG SER A 79 5.162 11.287 8.122 1.00 0.00 H new ATOM 1299 N PRO A 80 4.944 7.700 7.490 1.00 0.00 N ATOM 1300 CA PRO A 80 5.870 6.718 8.111 1.00 0.00 C ATOM 1301 C PRO A 80 5.915 5.384 7.357 1.00 0.00 C ATOM 1302 O PRO A 80 6.942 5.045 6.795 1.00 0.00 O ATOM 1303 CB PRO A 80 5.349 6.569 9.539 1.00 0.00 C ATOM 1304 CG PRO A 80 3.912 6.980 9.483 1.00 0.00 C ATOM 1305 CD PRO A 80 3.785 7.980 8.361 1.00 0.00 C ATOM 0 HA PRO A 80 6.905 7.058 8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.450 5.542 9.889 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.911 7.198 10.230 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.270 6.117 9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 80 3.599 7.420 10.430 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.845 7.858 7.824 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.807 9.003 8.736 1.00 0.00 H new ATOM 1313 N LEU A 81 4.848 4.620 7.327 1.00 0.00 N ATOM 1314 CA LEU A 81 4.904 3.326 6.591 1.00 0.00 C ATOM 1315 C LEU A 81 3.975 3.329 5.368 1.00 0.00 C ATOM 1316 O LEU A 81 3.738 2.290 4.779 1.00 0.00 O ATOM 1317 CB LEU A 81 4.491 2.265 7.610 1.00 0.00 C ATOM 1318 CG LEU A 81 5.728 1.879 8.435 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.321 1.587 9.879 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.388 0.637 7.826 1.00 0.00 C ATOM 0 H LEU A 81 3.957 4.835 7.774 1.00 0.00 H new ATOM 0 HA LEU A 81 5.900 3.134 6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.706 2.649 8.261 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.085 1.390 7.103 1.00 0.00 H new ATOM 0 HG LEU A 81 6.436 2.708 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.203 1.314 10.458 1.00 0.00 H new ATOM 0 HD12 LEU A 81 4.862 2.475 10.314 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.607 0.764 9.896 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.265 0.366 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.679 -0.191 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.690 0.851 6.801 1.00 0.00 H new ATOM 1332 N THR A 82 3.465 4.477 4.953 1.00 0.00 N ATOM 1333 CA THR A 82 2.591 4.496 3.752 1.00 0.00 C ATOM 1334 C THR A 82 3.182 5.377 2.631 1.00 0.00 C ATOM 1335 O THR A 82 2.541 5.570 1.618 1.00 0.00 O ATOM 1336 CB THR A 82 1.241 5.047 4.219 1.00 0.00 C ATOM 1337 OG1 THR A 82 1.142 4.936 5.636 1.00 0.00 O ATOM 1338 CG2 THR A 82 0.113 4.241 3.569 1.00 0.00 C ATOM 0 H THR A 82 3.621 5.382 5.396 1.00 0.00 H new ATOM 0 HA THR A 82 2.493 3.496 3.330 1.00 0.00 H new ATOM 0 HB THR A 82 1.159 6.095 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 82 1.024 5.827 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.850 4.631 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.185 4.324 2.485 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.200 3.194 3.860 1.00 0.00 H new ATOM 1346 N SER A 83 4.405 5.882 2.758 1.00 0.00 N ATOM 1347 CA SER A 83 4.982 6.690 1.639 1.00 0.00 C ATOM 1348 C SER A 83 6.093 5.872 0.965 1.00 0.00 C ATOM 1349 O SER A 83 7.147 6.372 0.628 1.00 0.00 O ATOM 1350 CB SER A 83 5.526 7.970 2.272 1.00 0.00 C ATOM 1351 OG SER A 83 6.443 8.584 1.376 1.00 0.00 O ATOM 0 H SER A 83 5.007 5.767 3.573 1.00 0.00 H new ATOM 0 HA SER A 83 4.247 6.939 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.708 8.654 2.498 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.020 7.741 3.216 1.00 0.00 H new ATOM 0 HG SER A 83 7.224 8.004 1.259 1.00 0.00 H new ATOM 1357 N ASN A 84 5.825 4.609 0.759 1.00 0.00 N ATOM 1358 CA ASN A 84 6.799 3.690 0.092 1.00 0.00 C ATOM 1359 C ASN A 84 5.962 2.623 -0.617 1.00 0.00 C ATOM 1360 O ASN A 84 5.979 2.509 -1.828 1.00 0.00 O ATOM 1361 CB ASN A 84 7.635 3.082 1.220 1.00 0.00 C ATOM 1362 CG ASN A 84 8.812 4.010 1.542 1.00 0.00 C ATOM 1363 OD1 ASN A 84 9.871 3.884 0.961 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.677 4.945 2.452 1.00 0.00 N ATOM 0 H ASN A 84 4.949 4.164 1.032 1.00 0.00 H new ATOM 0 HA ASN A 84 7.455 4.173 -0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.018 2.938 2.107 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.003 2.099 0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.459 5.562 2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 84 7.790 5.055 2.943 1.00 0.00 H new ATOM 1371 N LEU A 85 5.158 1.894 0.140 1.00 0.00 N ATOM 1372 CA LEU A 85 4.241 0.903 -0.498 1.00 0.00 C ATOM 1373 C LEU A 85 3.307 1.646 -1.481 1.00 0.00 C ATOM 1374 O LEU A 85 2.846 1.061 -2.444 1.00 0.00 O ATOM 1375 CB LEU A 85 3.425 0.256 0.642 1.00 0.00 C ATOM 1376 CG LEU A 85 2.422 -0.745 0.060 1.00 0.00 C ATOM 1377 CD1 LEU A 85 3.178 -1.899 -0.603 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.542 -1.294 1.185 1.00 0.00 C ATOM 0 H LEU A 85 5.104 1.948 1.157 1.00 0.00 H new ATOM 0 HA LEU A 85 4.786 0.141 -1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.094 -0.249 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.899 1.026 1.207 1.00 0.00 H new ATOM 0 HG LEU A 85 1.798 -0.246 -0.682 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.464 -2.611 -1.017 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.808 -1.510 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.801 -2.399 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.827 -2.007 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.167 -1.794 1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.004 -0.473 1.659 1.00 0.00 H new ATOM 1390 N ILE A 86 3.033 2.940 -1.270 1.00 0.00 N ATOM 1391 CA ILE A 86 2.144 3.654 -2.249 1.00 0.00 C ATOM 1392 C ILE A 86 2.850 3.699 -3.619 1.00 0.00 C ATOM 1393 O ILE A 86 2.216 3.534 -4.644 1.00 0.00 O ATOM 1394 CB ILE A 86 1.875 5.074 -1.685 1.00 0.00 C ATOM 1395 CG1 ILE A 86 0.847 4.956 -0.546 1.00 0.00 C ATOM 1396 CG2 ILE A 86 1.313 5.997 -2.785 1.00 0.00 C ATOM 1397 CD1 ILE A 86 0.491 6.344 0.005 1.00 0.00 C ATOM 0 H ILE A 86 3.378 3.500 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 86 1.191 3.143 -2.387 1.00 0.00 H new ATOM 0 HB ILE A 86 2.809 5.501 -1.319 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.053 4.462 -0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.251 4.334 0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.131 6.988 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.033 6.071 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.378 5.584 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.237 6.240 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.391 6.825 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.066 6.954 -0.792 1.00 0.00 H new ATOM 1409 N ASN A 87 4.157 3.907 -3.650 1.00 0.00 N ATOM 1410 CA ASN A 87 4.873 3.939 -4.980 1.00 0.00 C ATOM 1411 C ASN A 87 4.585 2.638 -5.749 1.00 0.00 C ATOM 1412 O ASN A 87 4.130 2.670 -6.876 1.00 0.00 O ATOM 1413 CB ASN A 87 6.377 4.049 -4.674 1.00 0.00 C ATOM 1414 CG ASN A 87 7.145 4.311 -5.976 1.00 0.00 C ATOM 1415 OD1 ASN A 87 7.106 3.505 -6.884 1.00 0.00 O ATOM 1416 ND2 ASN A 87 7.850 5.408 -6.110 1.00 0.00 N ATOM 0 H ASN A 87 4.747 4.053 -2.831 1.00 0.00 H new ATOM 0 HA ASN A 87 4.539 4.778 -5.591 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.557 4.857 -3.964 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.733 3.130 -4.208 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.363 5.582 -6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.885 6.087 -5.350 1.00 0.00 H new ATOM 1423 N LEU A 88 4.826 1.489 -5.139 1.00 0.00 N ATOM 1424 CA LEU A 88 4.540 0.185 -5.845 1.00 0.00 C ATOM 1425 C LEU A 88 3.081 0.167 -6.327 1.00 0.00 C ATOM 1426 O LEU A 88 2.795 -0.259 -7.430 1.00 0.00 O ATOM 1427 CB LEU A 88 4.763 -0.935 -4.815 1.00 0.00 C ATOM 1428 CG LEU A 88 6.253 -1.275 -4.739 1.00 0.00 C ATOM 1429 CD1 LEU A 88 6.627 -1.618 -3.296 1.00 0.00 C ATOM 1430 CD2 LEU A 88 6.549 -2.477 -5.640 1.00 0.00 C ATOM 0 H LEU A 88 5.203 1.399 -4.196 1.00 0.00 H new ATOM 0 HA LEU A 88 5.188 0.055 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.401 -0.620 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 88 4.192 -1.820 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 88 6.837 -0.417 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.688 -1.860 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.417 -0.763 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.042 -2.475 -2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.610 -2.719 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.964 -3.334 -5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.284 -2.234 -6.669 1.00 0.00 H new ATOM 1442 N LEU A 89 2.154 0.644 -5.515 1.00 0.00 N ATOM 1443 CA LEU A 89 0.713 0.665 -5.959 1.00 0.00 C ATOM 1444 C LEU A 89 0.590 1.498 -7.244 1.00 0.00 C ATOM 1445 O LEU A 89 -0.131 1.134 -8.155 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.097 1.309 -4.821 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.506 0.232 -3.817 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.166 0.884 -2.599 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.496 -0.726 -4.481 1.00 0.00 C ATOM 0 H LEU A 89 2.329 1.013 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 89 0.343 -0.339 -6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.498 2.077 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.982 1.802 -5.223 1.00 0.00 H new ATOM 0 HG LEU A 89 0.378 -0.318 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.456 0.112 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.462 1.569 -2.126 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.051 1.436 -2.916 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.791 -1.496 -3.768 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.378 -0.172 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.026 -1.193 -5.346 1.00 0.00 H new ATOM 1461 N ALA A 90 1.309 2.600 -7.338 1.00 0.00 N ATOM 1462 CA ALA A 90 1.247 3.423 -8.583 1.00 0.00 C ATOM 1463 C ALA A 90 2.549 3.258 -9.392 1.00 0.00 C ATOM 1464 O ALA A 90 2.951 4.161 -10.100 1.00 0.00 O ATOM 1465 CB ALA A 90 1.085 4.870 -8.111 1.00 0.00 C ATOM 0 H ALA A 90 1.928 2.957 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 90 0.426 3.120 -9.233 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.033 5.531 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.169 4.962 -7.528 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.938 5.149 -7.493 1.00 0.00 H new ATOM 1471 N GLU A 91 3.212 2.114 -9.303 1.00 0.00 N ATOM 1472 CA GLU A 91 4.478 1.924 -10.087 1.00 0.00 C ATOM 1473 C GLU A 91 4.203 1.066 -11.331 1.00 0.00 C ATOM 1474 O GLU A 91 4.596 1.421 -12.426 1.00 0.00 O ATOM 1475 CB GLU A 91 5.457 1.208 -9.144 1.00 0.00 C ATOM 1476 CG GLU A 91 6.792 0.980 -9.860 1.00 0.00 C ATOM 1477 CD GLU A 91 7.783 0.327 -8.896 1.00 0.00 C ATOM 1478 OE1 GLU A 91 7.682 -0.873 -8.695 1.00 0.00 O ATOM 1479 OE2 GLU A 91 8.629 1.036 -8.375 1.00 0.00 O ATOM 0 H GLU A 91 2.931 1.319 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 91 4.886 2.874 -10.432 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.613 1.805 -8.245 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.037 0.254 -8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.645 0.344 -10.733 1.00 0.00 H new ATOM 0 HG3 GLU A 91 7.190 1.929 -10.220 1.00 0.00 H new ATOM 1486 N ASN A 92 3.532 -0.060 -11.178 1.00 0.00 N ATOM 1487 CA ASN A 92 3.244 -0.922 -12.364 1.00 0.00 C ATOM 1488 C ASN A 92 1.727 -1.046 -12.599 1.00 0.00 C ATOM 1489 O ASN A 92 1.259 -2.068 -13.064 1.00 0.00 O ATOM 1490 CB ASN A 92 3.842 -2.284 -12.014 1.00 0.00 C ATOM 1491 CG ASN A 92 5.351 -2.268 -12.286 1.00 0.00 C ATOM 1492 OD1 ASN A 92 5.794 -1.682 -13.254 1.00 0.00 O ATOM 1493 ND2 ASN A 92 6.170 -2.888 -11.471 1.00 0.00 N ATOM 0 H ASN A 92 3.177 -0.411 -10.288 1.00 0.00 H new ATOM 0 HA ASN A 92 3.666 -0.507 -13.279 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.654 -2.517 -10.966 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.364 -3.065 -12.605 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.174 -2.877 -11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.803 -3.381 -10.657 1.00 0.00 H new ATOM 1500 N GLY A 93 0.951 -0.026 -12.281 1.00 0.00 N ATOM 1501 CA GLY A 93 -0.520 -0.114 -12.490 1.00 0.00 C ATOM 1502 C GLY A 93 -1.121 -0.977 -11.380 1.00 0.00 C ATOM 1503 O GLY A 93 -1.838 -1.923 -11.648 1.00 0.00 O ATOM 0 H GLY A 93 1.281 0.855 -11.888 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -0.964 0.881 -12.477 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.738 -0.548 -13.466 1.00 0.00 H new ATOM 1507 N ARG A 94 -0.831 -0.667 -10.132 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.392 -1.491 -9.019 1.00 0.00 C ATOM 1509 C ARG A 94 -2.494 -0.732 -8.258 1.00 0.00 C ATOM 1510 O ARG A 94 -2.715 -0.986 -7.088 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.208 -1.790 -8.094 1.00 0.00 C ATOM 1512 CG ARG A 94 0.423 -3.129 -8.485 1.00 0.00 C ATOM 1513 CD ARG A 94 -0.182 -4.251 -7.638 1.00 0.00 C ATOM 1514 NE ARG A 94 -1.183 -4.905 -8.525 1.00 0.00 N ATOM 1515 CZ ARG A 94 -0.787 -5.713 -9.470 1.00 0.00 C ATOM 1516 NH1 ARG A 94 -0.175 -6.825 -9.164 1.00 0.00 N ATOM 1517 NH2 ARG A 94 -1.002 -5.409 -10.720 1.00 0.00 N ATOM 0 H ARG A 94 -0.238 0.111 -9.845 1.00 0.00 H new ATOM 0 HA ARG A 94 -1.856 -2.402 -9.398 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.532 -0.993 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.543 -1.823 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.253 -3.327 -9.543 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.502 -3.090 -8.337 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.582 -4.958 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.651 -3.856 -6.737 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.178 -4.722 -8.394 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.007 -7.062 -8.186 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.135 -7.457 -9.903 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.480 -4.540 -10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.693 -6.040 -11.459 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.209 0.175 -8.900 1.00 0.00 N ATOM 1532 CA LEU A 95 -4.304 0.899 -8.179 1.00 0.00 C ATOM 1533 C LEU A 95 -5.679 0.384 -8.649 1.00 0.00 C ATOM 1534 O LEU A 95 -6.662 1.099 -8.605 1.00 0.00 O ATOM 1535 CB LEU A 95 -4.121 2.383 -8.524 1.00 0.00 C ATOM 1536 CG LEU A 95 -4.128 3.221 -7.239 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -2.929 2.843 -6.368 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.042 4.706 -7.600 1.00 0.00 C ATOM 0 H LEU A 95 -3.080 0.438 -9.877 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.260 0.740 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -3.182 2.528 -9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -4.920 2.712 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 95 -5.049 3.028 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.938 3.441 -5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.986 1.786 -6.109 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.006 3.033 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.047 5.303 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -3.121 4.894 -8.152 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.897 4.980 -8.218 1.00 0.00 H new ATOM 1550 N THR A 96 -5.761 -0.866 -9.061 1.00 0.00 N ATOM 1551 CA THR A 96 -7.071 -1.442 -9.488 1.00 0.00 C ATOM 1552 C THR A 96 -7.491 -2.456 -8.418 1.00 0.00 C ATOM 1553 O THR A 96 -8.557 -2.353 -7.840 1.00 0.00 O ATOM 1554 CB THR A 96 -6.808 -2.135 -10.829 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.970 -1.311 -11.628 1.00 0.00 O ATOM 1556 CG2 THR A 96 -8.135 -2.371 -11.552 1.00 0.00 C ATOM 0 H THR A 96 -4.971 -1.508 -9.118 1.00 0.00 H new ATOM 0 HA THR A 96 -7.861 -0.699 -9.599 1.00 0.00 H new ATOM 0 HB THR A 96 -6.318 -3.093 -10.655 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.799 -1.753 -12.486 1.00 0.00 H new ATOM 0 HG21 THR A 96 -7.947 -2.864 -12.506 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.777 -3.002 -10.938 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.628 -1.415 -11.729 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.632 -3.412 -8.112 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.953 -4.394 -7.040 1.00 0.00 C ATOM 1566 C ASN A 97 -6.149 -4.038 -5.775 1.00 0.00 C ATOM 1567 O ASN A 97 -5.702 -4.916 -5.060 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.517 -5.759 -7.588 1.00 0.00 C ATOM 1569 CG ASN A 97 -7.333 -6.092 -8.842 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -8.377 -6.706 -8.752 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -6.902 -5.711 -10.021 1.00 0.00 N ATOM 0 H ASN A 97 -5.727 -3.545 -8.564 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.010 -4.395 -6.775 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.454 -5.744 -7.827 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.663 -6.530 -6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.443 -5.931 -10.857 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -6.026 -5.195 -10.101 1.00 0.00 H new ATOM 1578 N THR A 98 -5.958 -2.754 -5.487 1.00 0.00 N ATOM 1579 CA THR A 98 -5.179 -2.377 -4.260 1.00 0.00 C ATOM 1580 C THR A 98 -5.892 -2.775 -2.941 1.00 0.00 C ATOM 1581 O THR A 98 -5.205 -3.110 -1.994 1.00 0.00 O ATOM 1582 CB THR A 98 -4.917 -0.851 -4.327 1.00 0.00 C ATOM 1583 OG1 THR A 98 -3.960 -0.475 -3.329 1.00 0.00 O ATOM 1584 CG2 THR A 98 -6.217 -0.065 -4.124 1.00 0.00 C ATOM 0 H THR A 98 -6.304 -1.972 -6.043 1.00 0.00 H new ATOM 0 HA THR A 98 -4.240 -2.930 -4.248 1.00 0.00 H new ATOM 0 HB THR A 98 -4.521 -0.614 -5.315 1.00 0.00 H new ATOM 0 HG1 THR A 98 -4.427 -0.244 -2.499 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.008 1.004 -4.175 1.00 0.00 H new ATOM 0 HG22 THR A 98 -6.930 -0.333 -4.904 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.639 -0.306 -3.148 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.226 -2.751 -2.873 1.00 0.00 N ATOM 1593 CA PRO A 99 -7.888 -3.146 -1.597 1.00 0.00 C ATOM 1594 C PRO A 99 -7.631 -4.634 -1.307 1.00 0.00 C ATOM 1595 O PRO A 99 -7.414 -5.013 -0.171 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.369 -2.864 -1.842 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.520 -2.913 -3.322 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.232 -2.388 -3.897 1.00 0.00 C ATOM 0 HA PRO A 99 -7.512 -2.603 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.000 -3.607 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.658 -1.891 -1.446 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.709 -3.932 -3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.366 -2.307 -3.647 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.007 -2.844 -4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.273 -1.310 -4.056 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.629 -5.482 -2.320 1.00 0.00 N ATOM 1607 CA ALA A 100 -7.353 -6.944 -2.065 1.00 0.00 C ATOM 1608 C ALA A 100 -5.958 -7.102 -1.433 1.00 0.00 C ATOM 1609 O ALA A 100 -5.767 -7.918 -0.551 1.00 0.00 O ATOM 1610 CB ALA A 100 -7.398 -7.651 -3.430 1.00 0.00 C ATOM 0 H ALA A 100 -7.803 -5.232 -3.294 1.00 0.00 H new ATOM 0 HA ALA A 100 -8.086 -7.373 -1.382 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.203 -8.715 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.383 -7.516 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.640 -7.224 -4.086 1.00 0.00 H new ATOM 1616 N VAL A 101 -4.984 -6.320 -1.866 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.608 -6.437 -1.258 1.00 0.00 C ATOM 1618 C VAL A 101 -3.654 -5.992 0.214 1.00 0.00 C ATOM 1619 O VAL A 101 -3.016 -6.587 1.062 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.682 -5.506 -2.065 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.250 -5.607 -1.526 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.700 -5.918 -3.540 1.00 0.00 C ATOM 0 H VAL A 101 -5.079 -5.619 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.247 -7.465 -1.290 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.034 -4.479 -1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.598 -4.947 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.234 -5.311 -0.477 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -0.898 -6.635 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.045 -5.259 -4.110 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.352 -6.946 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.716 -5.842 -3.927 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.406 -4.953 0.529 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.476 -4.492 1.964 1.00 0.00 C ATOM 1634 C ILE A 102 -5.108 -5.591 2.839 1.00 0.00 C ATOM 1635 O ILE A 102 -4.702 -5.785 3.971 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.341 -3.215 1.981 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -4.655 -2.127 1.148 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -5.510 -2.714 3.419 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -5.711 -1.234 0.491 1.00 0.00 C ATOM 0 H ILE A 102 -4.965 -4.413 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.483 -4.287 2.364 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.321 -3.443 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.002 -1.528 1.783 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.025 -2.584 0.384 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.122 -1.812 3.421 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.997 -3.484 4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.531 -2.489 3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.218 -0.462 -0.100 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.346 -1.838 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.322 -0.765 1.262 1.00 0.00 H new ATOM 1651 N SER A 103 -6.092 -6.317 2.336 1.00 0.00 N ATOM 1652 CA SER A 103 -6.723 -7.403 3.177 1.00 0.00 C ATOM 1653 C SER A 103 -5.644 -8.399 3.631 1.00 0.00 C ATOM 1654 O SER A 103 -5.632 -8.826 4.771 1.00 0.00 O ATOM 1655 CB SER A 103 -7.757 -8.112 2.290 1.00 0.00 C ATOM 1656 OG SER A 103 -8.955 -7.348 2.262 1.00 0.00 O ATOM 0 H SER A 103 -6.479 -6.209 1.399 1.00 0.00 H new ATOM 0 HA SER A 103 -7.196 -6.988 4.067 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.365 -8.232 1.280 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.959 -9.112 2.675 1.00 0.00 H new ATOM 0 HG SER A 103 -9.616 -7.797 1.695 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.724 -8.758 2.757 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.635 -9.717 3.172 1.00 0.00 C ATOM 1664 C ALA A 104 -2.851 -9.136 4.366 1.00 0.00 C ATOM 1665 O ALA A 104 -2.414 -9.867 5.234 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.704 -9.885 1.960 1.00 0.00 C ATOM 0 H ALA A 104 -4.678 -8.436 1.790 1.00 0.00 H new ATOM 0 HA ALA A 104 -4.052 -10.676 3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.897 -10.573 2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -3.270 -10.284 1.119 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.283 -8.917 1.687 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.672 -7.826 4.422 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.916 -7.218 5.579 1.00 0.00 C ATOM 1674 C PHE A 105 -2.577 -7.618 6.906 1.00 0.00 C ATOM 1675 O PHE A 105 -1.902 -7.972 7.854 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.000 -5.693 5.399 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.030 -5.004 6.332 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.242 -5.022 7.716 1.00 0.00 C ATOM 1679 CD2 PHE A 105 0.078 -4.332 5.809 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.348 -4.374 8.567 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.970 -3.684 6.662 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.756 -3.706 8.042 1.00 0.00 C ATOM 0 H PHE A 105 -3.012 -7.161 3.727 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.882 -7.562 5.599 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.773 -5.428 4.366 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.015 -5.351 5.600 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.098 -5.538 8.124 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.244 -4.315 4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.511 -4.390 9.634 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.826 -3.165 6.256 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.447 -3.204 8.703 1.00 0.00 H new ATOM 1692 N SER A 106 -3.892 -7.560 6.983 1.00 0.00 N ATOM 1693 CA SER A 106 -4.573 -7.941 8.273 1.00 0.00 C ATOM 1694 C SER A 106 -4.315 -9.421 8.580 1.00 0.00 C ATOM 1695 O SER A 106 -4.063 -9.783 9.714 1.00 0.00 O ATOM 1696 CB SER A 106 -6.075 -7.689 8.078 1.00 0.00 C ATOM 1697 OG SER A 106 -6.712 -7.645 9.348 1.00 0.00 O ATOM 0 H SER A 106 -4.513 -7.272 6.227 1.00 0.00 H new ATOM 0 HA SER A 106 -4.190 -7.355 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.232 -6.750 7.547 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.512 -8.478 7.466 1.00 0.00 H new ATOM 0 HG SER A 106 -7.671 -7.483 9.228 1.00 0.00 H new ATOM 1703 N THR A 107 -4.364 -10.282 7.583 1.00 0.00 N ATOM 1704 CA THR A 107 -4.102 -11.739 7.854 1.00 0.00 C ATOM 1705 C THR A 107 -2.616 -11.948 8.173 1.00 0.00 C ATOM 1706 O THR A 107 -2.277 -12.744 9.029 1.00 0.00 O ATOM 1707 CB THR A 107 -4.493 -12.510 6.583 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.435 -11.748 5.839 1.00 0.00 O ATOM 1709 CG2 THR A 107 -5.113 -13.854 6.969 1.00 0.00 C ATOM 0 H THR A 107 -4.570 -10.046 6.612 1.00 0.00 H new ATOM 0 HA THR A 107 -4.680 -12.092 8.708 1.00 0.00 H new ATOM 0 HB THR A 107 -3.605 -12.684 5.976 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.684 -12.238 5.027 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.390 -14.400 6.067 1.00 0.00 H new ATOM 0 HG22 THR A 107 -4.390 -14.438 7.539 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.002 -13.684 7.577 1.00 0.00 H new ATOM 1717 N MET A 108 -1.723 -11.233 7.512 1.00 0.00 N ATOM 1718 CA MET A 108 -0.265 -11.411 7.827 1.00 0.00 C ATOM 1719 C MET A 108 0.027 -10.858 9.229 1.00 0.00 C ATOM 1720 O MET A 108 0.824 -11.417 9.960 1.00 0.00 O ATOM 1721 CB MET A 108 0.522 -10.627 6.772 1.00 0.00 C ATOM 1722 CG MET A 108 0.321 -11.268 5.395 1.00 0.00 C ATOM 1723 SD MET A 108 1.069 -12.916 5.373 1.00 0.00 S ATOM 1724 CE MET A 108 1.267 -13.052 3.579 1.00 0.00 C ATOM 0 H MET A 108 -1.937 -10.550 6.785 1.00 0.00 H new ATOM 0 HA MET A 108 0.018 -12.463 7.811 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.189 -9.589 6.753 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.581 -10.617 7.028 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.743 -11.338 5.168 1.00 0.00 H new ATOM 0 HG3 MET A 108 0.771 -10.644 4.623 1.00 0.00 H new ATOM 0 HE1 MET A 108 1.721 -14.013 3.335 1.00 0.00 H new ATOM 0 HE2 MET A 108 0.291 -12.979 3.099 1.00 0.00 H new ATOM 0 HE3 MET A 108 1.909 -12.247 3.222 1.00 0.00 H new ATOM 1734 N MET A 109 -0.617 -9.770 9.626 1.00 0.00 N ATOM 1735 CA MET A 109 -0.359 -9.218 11.004 1.00 0.00 C ATOM 1736 C MET A 109 -0.691 -10.290 12.050 1.00 0.00 C ATOM 1737 O MET A 109 0.051 -10.485 12.984 1.00 0.00 O ATOM 1738 CB MET A 109 -1.280 -8.000 11.179 1.00 0.00 C ATOM 1739 CG MET A 109 -1.009 -7.344 12.534 1.00 0.00 C ATOM 1740 SD MET A 109 -2.179 -5.988 12.793 1.00 0.00 S ATOM 1741 CE MET A 109 -2.022 -5.892 14.594 1.00 0.00 C ATOM 0 H MET A 109 -1.295 -9.253 9.066 1.00 0.00 H new ATOM 0 HA MET A 109 0.685 -8.930 11.130 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.109 -7.283 10.376 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.324 -8.308 11.115 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.106 -8.080 13.332 1.00 0.00 H new ATOM 0 HG3 MET A 109 0.013 -6.968 12.570 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.671 -5.104 14.974 1.00 0.00 H new ATOM 0 HE2 MET A 109 -2.312 -6.845 15.036 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.988 -5.669 14.858 1.00 0.00 H new ATOM 1751 N SER A 110 -1.782 -11.013 11.899 1.00 0.00 N ATOM 1752 CA SER A 110 -2.094 -12.084 12.921 1.00 0.00 C ATOM 1753 C SER A 110 -0.918 -13.070 13.044 1.00 0.00 C ATOM 1754 O SER A 110 -0.658 -13.587 14.116 1.00 0.00 O ATOM 1755 CB SER A 110 -3.353 -12.813 12.435 1.00 0.00 C ATOM 1756 OG SER A 110 -3.027 -13.609 11.303 1.00 0.00 O ATOM 0 H SER A 110 -2.454 -10.917 11.138 1.00 0.00 H new ATOM 0 HA SER A 110 -2.255 -11.644 13.905 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.755 -13.440 13.231 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.128 -12.092 12.176 1.00 0.00 H new ATOM 0 HG SER A 110 -2.848 -13.027 10.535 1.00 0.00 H new ATOM 1762 N VAL A 111 -0.191 -13.324 11.972 1.00 0.00 N ATOM 1763 CA VAL A 111 0.979 -14.267 12.077 1.00 0.00 C ATOM 1764 C VAL A 111 2.189 -13.577 12.743 1.00 0.00 C ATOM 1765 O VAL A 111 3.120 -14.248 13.149 1.00 0.00 O ATOM 1766 CB VAL A 111 1.327 -14.702 10.643 1.00 0.00 C ATOM 1767 CG1 VAL A 111 2.488 -15.700 10.673 1.00 0.00 C ATOM 1768 CG2 VAL A 111 0.107 -15.368 9.999 1.00 0.00 C ATOM 0 H VAL A 111 -0.353 -12.928 11.046 1.00 0.00 H new ATOM 0 HA VAL A 111 0.725 -15.126 12.698 1.00 0.00 H new ATOM 0 HB VAL A 111 1.615 -13.825 10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 111 2.731 -16.006 9.655 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.360 -15.231 11.129 1.00 0.00 H new ATOM 0 HG13 VAL A 111 2.201 -16.575 11.256 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.354 -15.676 8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.181 -16.242 10.583 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.722 -14.661 9.972 1.00 0.00 H new ATOM 1778 N HIS A 112 2.192 -12.259 12.890 1.00 0.00 N ATOM 1779 CA HIS A 112 3.349 -11.598 13.557 1.00 0.00 C ATOM 1780 C HIS A 112 3.191 -11.710 15.095 1.00 0.00 C ATOM 1781 O HIS A 112 4.171 -11.678 15.815 1.00 0.00 O ATOM 1782 CB HIS A 112 3.364 -10.134 13.023 1.00 0.00 C ATOM 1783 CG HIS A 112 2.816 -9.143 14.021 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.513 -9.172 14.481 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.407 -8.102 14.652 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.370 -8.169 15.359 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.501 -7.478 15.503 1.00 0.00 N ATOM 0 H HIS A 112 1.450 -11.633 12.578 1.00 0.00 H new ATOM 0 HA HIS A 112 4.308 -12.066 13.334 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.386 -9.856 12.765 1.00 0.00 H new ATOM 0 HB3 HIS A 112 2.778 -10.081 12.105 1.00 0.00 H new ATOM 0 HD1 HIS A 112 0.791 -9.836 14.203 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.435 -7.799 14.515 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.453 -7.948 15.884 1.00 0.00 H new ATOM 1795 N ARG A 113 1.973 -11.860 15.606 1.00 0.00 N ATOM 1796 CA ARG A 113 1.817 -11.992 17.096 1.00 0.00 C ATOM 1797 C ARG A 113 2.483 -13.295 17.573 1.00 0.00 C ATOM 1798 O ARG A 113 3.033 -13.347 18.656 1.00 0.00 O ATOM 1799 CB ARG A 113 0.308 -12.031 17.387 1.00 0.00 C ATOM 1800 CG ARG A 113 0.039 -11.441 18.773 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.318 -9.958 18.636 1.00 0.00 C ATOM 1802 NE ARG A 113 0.017 -9.360 19.958 1.00 0.00 N ATOM 1803 CZ ARG A 113 0.935 -8.437 20.043 1.00 0.00 C ATOM 1804 NH1 ARG A 113 0.645 -7.200 19.744 1.00 0.00 N ATOM 1805 NH2 ARG A 113 2.142 -8.750 20.427 1.00 0.00 N ATOM 0 H ARG A 113 1.108 -11.895 15.067 1.00 0.00 H new ATOM 0 HA ARG A 113 2.289 -11.160 17.618 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -0.234 -11.466 16.628 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -0.056 -13.058 17.340 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -0.776 -11.979 19.257 1.00 0.00 H new ATOM 0 HG3 ARG A 113 0.918 -11.557 19.406 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.250 -9.487 17.834 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -1.374 -9.826 18.399 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.471 -9.672 20.797 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -0.299 -6.956 19.444 1.00 0.00 H new ATOM 0 HH12 ARG A 113 1.362 -6.478 19.810 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.368 -9.717 20.661 1.00 0.00 H new ATOM 0 HH22 ARG A 113 2.859 -8.028 20.493 1.00 0.00 H new ATOM 1819 N GLY A 114 2.437 -14.349 16.777 1.00 0.00 N ATOM 1820 CA GLY A 114 3.068 -15.634 17.201 1.00 0.00 C ATOM 1821 C GLY A 114 2.130 -16.789 16.834 1.00 0.00 C ATOM 1822 O GLY A 114 1.584 -17.446 17.698 1.00 0.00 O ATOM 0 H GLY A 114 1.991 -14.366 15.860 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.033 -15.761 16.710 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.255 -15.626 18.275 1.00 0.00 H new ATOM 2000 N GLU B 7 9.949 -8.655 -6.792 1.00 0.00 N ATOM 2001 CA GLU B 7 9.778 -8.335 -5.335 1.00 0.00 C ATOM 2002 C GLU B 7 10.503 -7.025 -4.999 1.00 0.00 C ATOM 2003 O GLU B 7 11.238 -6.948 -4.032 1.00 0.00 O ATOM 2004 CB GLU B 7 10.391 -9.512 -4.567 1.00 0.00 C ATOM 2005 CG GLU B 7 9.684 -10.810 -4.963 1.00 0.00 C ATOM 2006 CD GLU B 7 10.270 -11.976 -4.164 1.00 0.00 C ATOM 2007 OE1 GLU B 7 11.472 -11.977 -3.951 1.00 0.00 O ATOM 2008 OE2 GLU B 7 9.508 -12.846 -3.777 1.00 0.00 O ATOM 0 HA GLU B 7 8.730 -8.200 -5.069 1.00 0.00 H new ATOM 0 HB2 GLU B 7 11.456 -9.586 -4.785 1.00 0.00 H new ATOM 0 HB3 GLU B 7 10.296 -9.348 -3.494 1.00 0.00 H new ATOM 0 HG2 GLU B 7 8.614 -10.726 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU B 7 9.804 -10.991 -6.031 1.00 0.00 H new ATOM 2015 N VAL B 8 10.298 -5.989 -5.789 1.00 0.00 N ATOM 2016 CA VAL B 8 10.986 -4.678 -5.494 1.00 0.00 C ATOM 2017 C VAL B 8 10.607 -4.202 -4.080 1.00 0.00 C ATOM 2018 O VAL B 8 11.443 -3.702 -3.349 1.00 0.00 O ATOM 2019 CB VAL B 8 10.505 -3.669 -6.554 1.00 0.00 C ATOM 2020 CG1 VAL B 8 11.133 -2.297 -6.287 1.00 0.00 C ATOM 2021 CG2 VAL B 8 10.922 -4.156 -7.949 1.00 0.00 C ATOM 0 H VAL B 8 9.695 -5.991 -6.612 1.00 0.00 H new ATOM 0 HA VAL B 8 12.071 -4.780 -5.531 1.00 0.00 H new ATOM 0 HB VAL B 8 9.419 -3.585 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL B 8 10.790 -1.587 -7.039 1.00 0.00 H new ATOM 0 HG12 VAL B 8 10.838 -1.948 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL B 8 12.219 -2.379 -6.334 1.00 0.00 H new ATOM 0 HG21 VAL B 8 10.582 -3.443 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL B 8 12.008 -4.242 -7.995 1.00 0.00 H new ATOM 0 HG23 VAL B 8 10.473 -5.130 -8.144 1.00 0.00 H new ATOM 2031 N SER B 9 9.361 -4.369 -3.679 1.00 0.00 N ATOM 2032 CA SER B 9 8.966 -3.933 -2.290 1.00 0.00 C ATOM 2033 C SER B 9 9.831 -4.663 -1.247 1.00 0.00 C ATOM 2034 O SER B 9 10.164 -4.103 -0.218 1.00 0.00 O ATOM 2035 CB SER B 9 7.488 -4.310 -2.108 1.00 0.00 C ATOM 2036 OG SER B 9 6.930 -3.529 -1.059 1.00 0.00 O ATOM 0 H SER B 9 8.614 -4.779 -4.239 1.00 0.00 H new ATOM 0 HA SER B 9 9.113 -2.861 -2.158 1.00 0.00 H new ATOM 0 HB2 SER B 9 6.940 -4.139 -3.035 1.00 0.00 H new ATOM 0 HB3 SER B 9 7.397 -5.371 -1.875 1.00 0.00 H new ATOM 0 HG SER B 9 5.986 -3.766 -0.941 1.00 0.00 H new ATOM 2042 N SER B 10 10.210 -5.905 -1.501 1.00 0.00 N ATOM 2043 CA SER B 10 11.067 -6.637 -0.502 1.00 0.00 C ATOM 2044 C SER B 10 12.440 -5.964 -0.413 1.00 0.00 C ATOM 2045 O SER B 10 12.864 -5.560 0.654 1.00 0.00 O ATOM 2046 CB SER B 10 11.217 -8.077 -1.016 1.00 0.00 C ATOM 2047 OG SER B 10 10.128 -8.861 -0.545 1.00 0.00 O ATOM 0 H SER B 10 9.967 -6.432 -2.340 1.00 0.00 H new ATOM 0 HA SER B 10 10.618 -6.624 0.491 1.00 0.00 H new ATOM 0 HB2 SER B 10 11.241 -8.085 -2.106 1.00 0.00 H new ATOM 0 HB3 SER B 10 12.161 -8.501 -0.673 1.00 0.00 H new ATOM 0 HG SER B 10 10.220 -9.780 -0.873 1.00 0.00 H new ATOM 2053 N ILE B 11 13.140 -5.824 -1.523 1.00 0.00 N ATOM 2054 CA ILE B 11 14.489 -5.153 -1.465 1.00 0.00 C ATOM 2055 C ILE B 11 14.337 -3.715 -0.929 1.00 0.00 C ATOM 2056 O ILE B 11 15.206 -3.220 -0.235 1.00 0.00 O ATOM 2057 CB ILE B 11 15.067 -5.156 -2.897 1.00 0.00 C ATOM 2058 CG1 ILE B 11 16.480 -4.571 -2.876 1.00 0.00 C ATOM 2059 CG2 ILE B 11 14.190 -4.323 -3.836 1.00 0.00 C ATOM 2060 CD1 ILE B 11 17.217 -4.972 -4.155 1.00 0.00 C ATOM 0 H ILE B 11 12.844 -6.138 -2.447 1.00 0.00 H new ATOM 0 HA ILE B 11 15.163 -5.682 -0.791 1.00 0.00 H new ATOM 0 HB ILE B 11 15.093 -6.184 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE B 11 16.434 -3.485 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE B 11 17.022 -4.933 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE B 11 14.615 -4.338 -4.840 1.00 0.00 H new ATOM 0 HG22 ILE B 11 13.184 -4.742 -3.861 1.00 0.00 H new ATOM 0 HG23 ILE B 11 14.146 -3.295 -3.476 1.00 0.00 H new ATOM 0 HD11 ILE B 11 18.224 -4.555 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE B 11 17.275 -6.059 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE B 11 16.678 -4.588 -5.021 1.00 0.00 H new ATOM 2072 N LEU B 12 13.238 -3.043 -1.227 1.00 0.00 N ATOM 2073 CA LEU B 12 13.058 -1.643 -0.699 1.00 0.00 C ATOM 2074 C LEU B 12 13.026 -1.661 0.839 1.00 0.00 C ATOM 2075 O LEU B 12 13.514 -0.747 1.477 1.00 0.00 O ATOM 2076 CB LEU B 12 11.717 -1.127 -1.248 1.00 0.00 C ATOM 2077 CG LEU B 12 11.534 0.339 -0.856 1.00 0.00 C ATOM 2078 CD1 LEU B 12 12.417 1.219 -1.742 1.00 0.00 C ATOM 2079 CD2 LEU B 12 10.068 0.737 -1.044 1.00 0.00 C ATOM 0 H LEU B 12 12.473 -3.396 -1.802 1.00 0.00 H new ATOM 0 HA LEU B 12 13.881 -0.999 -1.010 1.00 0.00 H new ATOM 0 HB2 LEU B 12 11.693 -1.230 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU B 12 10.896 -1.725 -0.853 1.00 0.00 H new ATOM 0 HG LEU B 12 11.818 0.474 0.188 1.00 0.00 H new ATOM 0 HD11 LEU B 12 12.286 2.264 -1.462 1.00 0.00 H new ATOM 0 HD12 LEU B 12 13.461 0.936 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU B 12 12.134 1.085 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU B 12 9.936 1.782 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU B 12 9.785 0.602 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU B 12 9.437 0.111 -0.413 1.00 0.00 H new ATOM 2091 N GLU B 13 12.459 -2.692 1.450 1.00 0.00 N ATOM 2092 CA GLU B 13 12.418 -2.733 2.960 1.00 0.00 C ATOM 2093 C GLU B 13 13.843 -2.629 3.530 1.00 0.00 C ATOM 2094 O GLU B 13 14.067 -1.957 4.520 1.00 0.00 O ATOM 2095 CB GLU B 13 11.792 -4.081 3.351 1.00 0.00 C ATOM 2096 CG GLU B 13 11.546 -4.110 4.862 1.00 0.00 C ATOM 2097 CD GLU B 13 11.757 -5.531 5.387 1.00 0.00 C ATOM 2098 OE1 GLU B 13 11.362 -6.459 4.702 1.00 0.00 O ATOM 2099 OE2 GLU B 13 12.310 -5.667 6.466 1.00 0.00 O ATOM 0 H GLU B 13 12.032 -3.490 0.979 1.00 0.00 H new ATOM 0 HA GLU B 13 11.837 -1.901 3.358 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.854 -4.227 2.816 1.00 0.00 H new ATOM 0 HB3 GLU B 13 12.453 -4.898 3.064 1.00 0.00 H new ATOM 0 HG2 GLU B 13 12.225 -3.421 5.365 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.532 -3.776 5.082 1.00 0.00 H new ATOM 2106 N GLU B 14 14.810 -3.281 2.912 1.00 0.00 N ATOM 2107 CA GLU B 14 16.219 -3.194 3.442 1.00 0.00 C ATOM 2108 C GLU B 14 16.707 -1.737 3.381 1.00 0.00 C ATOM 2109 O GLU B 14 17.357 -1.262 4.293 1.00 0.00 O ATOM 2110 CB GLU B 14 17.090 -4.083 2.541 1.00 0.00 C ATOM 2111 CG GLU B 14 17.097 -5.512 3.086 1.00 0.00 C ATOM 2112 CD GLU B 14 15.731 -6.159 2.841 1.00 0.00 C ATOM 2113 OE1 GLU B 14 15.476 -6.549 1.714 1.00 0.00 O ATOM 2114 OE2 GLU B 14 14.965 -6.253 3.786 1.00 0.00 O ATOM 0 H GLU B 14 14.689 -3.859 2.080 1.00 0.00 H new ATOM 0 HA GLU B 14 16.272 -3.524 4.479 1.00 0.00 H new ATOM 0 HB2 GLU B 14 16.705 -4.073 1.521 1.00 0.00 H new ATOM 0 HB3 GLU B 14 18.107 -3.693 2.501 1.00 0.00 H new ATOM 0 HG2 GLU B 14 17.880 -6.094 2.599 1.00 0.00 H new ATOM 0 HG3 GLU B 14 17.322 -5.505 4.153 1.00 0.00 H new