USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 561 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 42 THR OG1 : rot 170:sc=-0.00403 USER MOD Set 1.2: A 54 MET CE :methyl -143:sc= -0.149 (180deg=-0.502) USER MOD Single : A 2 THR OG1 : rot 16:sc= 0.81 USER MOD Single : A 4 LYS NZ :NH3+ 137:sc= -1.03 (180deg=-3.18!) USER MOD Single : A 5 GLN :FLIP amide:sc= -1.35 F(o=-3.9!,f=-1.4) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= -0.0754 (180deg=-0.428) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 38 ASN : amide:sc= -4.41! C(o=-4.4!,f=-9.6!) USER MOD Single : A 47 ASN : amide:sc= -0.304 X(o=-0.3,f=-0.3) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= -4.29! (180deg=-7.37!) USER MOD Single : A 62 GLN : amide:sc= -0.403 K(o=-0.4,f=-1.2) USER MOD Single : A 68 THR OG1 : rot -172:sc= -2.69 USER MOD Single : A 71 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.037) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.054) USER MOD Single : A 85 SER OG : rot -71:sc= 0.977 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 49.390 -13.250 18.994 1.00 0.00 N ATOM 21 CA THR A 2 50.790 -12.850 18.911 1.00 0.00 C ATOM 22 C THR A 2 51.474 -13.539 17.738 1.00 0.00 C ATOM 23 O THR A 2 51.145 -14.677 17.404 1.00 0.00 O ATOM 24 CB THR A 2 51.525 -13.235 20.203 1.00 0.00 C ATOM 25 OG1 THR A 2 50.578 -13.640 21.182 1.00 0.00 O ATOM 26 CG2 THR A 2 52.322 -12.040 20.727 1.00 0.00 C ATOM 0 HA THR A 2 50.825 -11.770 18.770 1.00 0.00 H new ATOM 0 HB THR A 2 52.211 -14.056 19.994 1.00 0.00 H new ATOM 0 HG1 THR A 2 49.719 -13.826 20.749 1.00 0.00 H new ATOM 0 HG21 THR A 2 52.840 -12.322 21.644 1.00 0.00 H new ATOM 0 HG22 THR A 2 53.051 -11.732 19.978 1.00 0.00 H new ATOM 0 HG23 THR A 2 51.643 -11.212 20.934 1.00 0.00 H new ATOM 34 N VAL A 3 52.454 -12.869 17.138 1.00 0.00 N ATOM 35 CA VAL A 3 53.190 -13.450 16.052 1.00 0.00 C ATOM 36 C VAL A 3 54.627 -13.101 16.209 1.00 0.00 C ATOM 37 O VAL A 3 54.987 -11.961 16.489 1.00 0.00 O ATOM 38 CB VAL A 3 52.711 -12.948 14.722 1.00 0.00 C ATOM 39 CG1 VAL A 3 51.552 -13.813 14.269 1.00 0.00 C ATOM 40 CG2 VAL A 3 52.276 -11.487 14.854 1.00 0.00 C ATOM 0 H VAL A 3 52.746 -11.926 17.395 1.00 0.00 H new ATOM 0 HA VAL A 3 53.041 -14.530 16.079 1.00 0.00 H new ATOM 0 HB VAL A 3 53.511 -13.002 13.983 1.00 0.00 H new ATOM 0 HG11 VAL A 3 51.191 -13.461 13.302 1.00 0.00 H new ATOM 0 HG12 VAL A 3 51.884 -14.847 14.178 1.00 0.00 H new ATOM 0 HG13 VAL A 3 50.746 -13.754 15.000 1.00 0.00 H new ATOM 0 HG21 VAL A 3 51.928 -11.122 13.888 1.00 0.00 H new ATOM 0 HG22 VAL A 3 51.469 -11.412 15.582 1.00 0.00 H new ATOM 0 HG23 VAL A 3 53.121 -10.884 15.186 1.00 0.00 H new ATOM 50 N LYS A 4 55.431 -14.104 16.054 1.00 0.00 N ATOM 51 CA LYS A 4 56.834 -13.956 16.198 1.00 0.00 C ATOM 52 C LYS A 4 57.560 -14.989 15.390 1.00 0.00 C ATOM 53 O LYS A 4 57.161 -16.153 15.336 1.00 0.00 O ATOM 54 CB LYS A 4 57.219 -14.063 17.651 1.00 0.00 C ATOM 55 CG LYS A 4 56.925 -15.467 18.199 1.00 0.00 C ATOM 56 CD LYS A 4 55.489 -15.938 17.880 1.00 0.00 C ATOM 57 CE LYS A 4 54.434 -14.958 18.433 1.00 0.00 C ATOM 58 NZ LYS A 4 54.344 -15.115 19.912 1.00 0.00 N ATOM 0 H LYS A 4 55.127 -15.050 15.823 1.00 0.00 H new ATOM 0 HA LYS A 4 57.118 -12.971 15.829 1.00 0.00 H new ATOM 0 HB2 LYS A 4 58.279 -13.839 17.767 1.00 0.00 H new ATOM 0 HB3 LYS A 4 56.671 -13.321 18.231 1.00 0.00 H new ATOM 0 HG2 LYS A 4 57.638 -16.175 17.777 1.00 0.00 H new ATOM 0 HG3 LYS A 4 57.074 -15.470 19.279 1.00 0.00 H new ATOM 0 HD2 LYS A 4 55.368 -16.033 16.801 1.00 0.00 H new ATOM 0 HD3 LYS A 4 55.327 -16.928 18.307 1.00 0.00 H new ATOM 0 HE2 LYS A 4 54.705 -13.933 18.180 1.00 0.00 H new ATOM 0 HE3 LYS A 4 53.464 -15.153 17.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 54.292 -14.177 20.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 53.492 -15.660 20.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 55.186 -15.618 20.260 1.00 0.00 H new ATOM 72 N GLN A 5 58.605 -14.550 14.728 1.00 0.00 N ATOM 73 CA GLN A 5 59.354 -15.446 13.875 1.00 0.00 C ATOM 74 C GLN A 5 60.837 -15.113 13.851 1.00 0.00 C ATOM 75 O GLN A 5 61.249 -13.975 14.059 1.00 0.00 O ATOM 76 CB GLN A 5 58.793 -15.329 12.473 1.00 0.00 C ATOM 77 CG GLN A 5 57.268 -15.202 12.544 1.00 0.00 C ATOM 78 CD GLN A 5 56.675 -15.257 11.140 1.00 0.00 C ATOM 79 OE1 GLN A 5 56.738 -14.202 10.373 1.00 0.00 O flip ATOM 80 NE2 GLN A 5 56.141 -16.287 10.730 1.00 0.00 N flip ATOM 0 H GLN A 5 58.953 -13.592 14.761 1.00 0.00 H new ATOM 0 HA GLN A 5 59.257 -16.460 14.264 1.00 0.00 H new ATOM 0 HB2 GLN A 5 59.218 -14.460 11.971 1.00 0.00 H new ATOM 0 HB3 GLN A 5 59.069 -16.204 11.885 1.00 0.00 H new ATOM 0 HG2 GLN A 5 56.856 -16.006 13.154 1.00 0.00 H new ATOM 0 HG3 GLN A 5 56.995 -14.264 13.027 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.093 -17.110 11.330 1.00 0.00 H new ATOM 0 HE22 GLN A 5 55.747 -16.318 9.790 1.00 0.00 H new ATOM 89 N THR A 6 61.629 -16.124 13.578 1.00 0.00 N ATOM 90 CA THR A 6 63.057 -15.967 13.497 1.00 0.00 C ATOM 91 C THR A 6 63.488 -15.893 12.039 1.00 0.00 C ATOM 92 O THR A 6 63.484 -16.902 11.333 1.00 0.00 O ATOM 93 CB THR A 6 63.734 -17.152 14.180 1.00 0.00 C ATOM 94 OG1 THR A 6 62.880 -17.663 15.194 1.00 0.00 O ATOM 95 CG2 THR A 6 65.038 -16.685 14.799 1.00 0.00 C ATOM 0 H THR A 6 61.300 -17.074 13.407 1.00 0.00 H new ATOM 0 HA THR A 6 63.350 -15.044 13.998 1.00 0.00 H new ATOM 0 HB THR A 6 63.934 -17.936 13.450 1.00 0.00 H new ATOM 0 HG1 THR A 6 63.313 -18.425 15.633 1.00 0.00 H new ATOM 0 HG21 THR A 6 65.529 -17.525 15.290 1.00 0.00 H new ATOM 0 HG22 THR A 6 65.689 -16.288 14.020 1.00 0.00 H new ATOM 0 HG23 THR A 6 64.834 -15.905 15.533 1.00 0.00 H new ATOM 103 N VAL A 7 63.855 -14.698 11.584 1.00 0.00 N ATOM 104 CA VAL A 7 64.278 -14.534 10.193 1.00 0.00 C ATOM 105 C VAL A 7 65.804 -14.543 10.086 1.00 0.00 C ATOM 106 O VAL A 7 66.481 -13.670 10.626 1.00 0.00 O ATOM 107 CB VAL A 7 63.731 -13.212 9.614 1.00 0.00 C ATOM 108 CG1 VAL A 7 63.431 -13.368 8.111 1.00 0.00 C ATOM 109 CG2 VAL A 7 62.446 -12.813 10.348 1.00 0.00 C ATOM 0 H VAL A 7 63.869 -13.845 12.143 1.00 0.00 H new ATOM 0 HA VAL A 7 63.877 -15.370 9.620 1.00 0.00 H new ATOM 0 HB VAL A 7 64.485 -12.437 9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 7 63.046 -12.427 7.717 1.00 0.00 H new ATOM 0 HG12 VAL A 7 64.347 -13.635 7.583 1.00 0.00 H new ATOM 0 HG13 VAL A 7 62.688 -14.152 7.968 1.00 0.00 H new ATOM 0 HG21 VAL A 7 62.066 -11.879 9.934 1.00 0.00 H new ATOM 0 HG22 VAL A 7 61.698 -13.596 10.224 1.00 0.00 H new ATOM 0 HG23 VAL A 7 62.659 -12.680 11.409 1.00 0.00 H new ATOM 119 N GLU A 8 66.340 -15.523 9.365 1.00 0.00 N ATOM 120 CA GLU A 8 67.783 -15.609 9.180 1.00 0.00 C ATOM 121 C GLU A 8 68.237 -14.473 8.274 1.00 0.00 C ATOM 122 O GLU A 8 67.622 -14.221 7.238 1.00 0.00 O ATOM 123 CB GLU A 8 68.156 -16.957 8.559 1.00 0.00 C ATOM 124 CG GLU A 8 67.659 -18.087 9.463 1.00 0.00 C ATOM 125 CD GLU A 8 67.883 -19.434 8.784 1.00 0.00 C ATOM 126 OE1 GLU A 8 68.283 -19.435 7.632 1.00 0.00 O ATOM 127 OE2 GLU A 8 67.652 -20.445 9.427 1.00 0.00 O ATOM 0 H GLU A 8 65.805 -16.259 8.905 1.00 0.00 H new ATOM 0 HA GLU A 8 68.279 -15.525 10.147 1.00 0.00 H new ATOM 0 HB2 GLU A 8 67.713 -17.048 7.567 1.00 0.00 H new ATOM 0 HB3 GLU A 8 69.237 -17.025 8.433 1.00 0.00 H new ATOM 0 HG2 GLU A 8 68.186 -18.059 10.417 1.00 0.00 H new ATOM 0 HG3 GLU A 8 66.599 -17.951 9.680 1.00 0.00 H new ATOM 134 N ILE A 9 69.290 -13.765 8.672 1.00 0.00 N ATOM 135 CA ILE A 9 69.760 -12.638 7.874 1.00 0.00 C ATOM 136 C ILE A 9 70.885 -13.029 6.936 1.00 0.00 C ATOM 137 O ILE A 9 71.580 -14.023 7.147 1.00 0.00 O ATOM 138 CB ILE A 9 70.303 -11.522 8.773 1.00 0.00 C ATOM 139 CG1 ILE A 9 69.606 -11.518 10.144 1.00 0.00 C ATOM 140 CG2 ILE A 9 70.109 -10.182 8.086 1.00 0.00 C ATOM 141 CD1 ILE A 9 68.288 -10.718 10.114 1.00 0.00 C ATOM 0 H ILE A 9 69.823 -13.946 9.522 1.00 0.00 H new ATOM 0 HA ILE A 9 68.897 -12.301 7.300 1.00 0.00 H new ATOM 0 HB ILE A 9 71.365 -11.700 8.941 1.00 0.00 H new ATOM 0 HG12 ILE A 9 69.402 -12.544 10.451 1.00 0.00 H new ATOM 0 HG13 ILE A 9 70.275 -11.089 10.890 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.495 -9.387 8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 9 70.646 -10.178 7.137 1.00 0.00 H new ATOM 0 HG23 ILE A 9 69.047 -10.017 7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 9 67.827 -10.740 11.101 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.495 -9.686 9.833 1.00 0.00 H new ATOM 0 HD13 ILE A 9 67.609 -11.163 9.387 1.00 0.00 H new ATOM 311 N ALA A 20 62.260 -1.408 8.862 1.00 0.00 N ATOM 312 CA ALA A 20 62.485 -0.933 10.226 1.00 0.00 C ATOM 313 C ALA A 20 61.784 0.392 10.416 1.00 0.00 C ATOM 314 O ALA A 20 61.221 0.686 11.470 1.00 0.00 O ATOM 315 CB ALA A 20 63.981 -0.706 10.448 1.00 0.00 C ATOM 0 HA ALA A 20 62.103 -1.675 10.927 1.00 0.00 H new ATOM 0 HB1 ALA A 20 64.148 -0.352 11.465 1.00 0.00 H new ATOM 0 HB2 ALA A 20 64.517 -1.643 10.297 1.00 0.00 H new ATOM 0 HB3 ALA A 20 64.345 0.039 9.740 1.00 0.00 H new ATOM 321 N MET A 21 61.858 1.186 9.371 1.00 0.00 N ATOM 322 CA MET A 21 61.272 2.509 9.362 1.00 0.00 C ATOM 323 C MET A 21 59.786 2.447 8.990 1.00 0.00 C ATOM 324 O MET A 21 59.008 3.313 9.391 1.00 0.00 O ATOM 325 CB MET A 21 62.051 3.386 8.378 1.00 0.00 C ATOM 326 CG MET A 21 63.556 3.059 8.478 1.00 0.00 C ATOM 327 SD MET A 21 64.428 3.818 7.086 1.00 0.00 S ATOM 328 CE MET A 21 64.707 5.436 7.847 1.00 0.00 C ATOM 0 H MET A 21 62.327 0.932 8.501 1.00 0.00 H new ATOM 0 HA MET A 21 61.335 2.943 10.360 1.00 0.00 H new ATOM 0 HB2 MET A 21 61.697 3.213 7.362 1.00 0.00 H new ATOM 0 HB3 MET A 21 61.881 4.440 8.600 1.00 0.00 H new ATOM 0 HG2 MET A 21 63.959 3.431 9.420 1.00 0.00 H new ATOM 0 HG3 MET A 21 63.706 1.979 8.471 1.00 0.00 H new ATOM 0 HE1 MET A 21 65.242 6.079 7.148 1.00 0.00 H new ATOM 0 HE2 MET A 21 63.748 5.890 8.097 1.00 0.00 H new ATOM 0 HE3 MET A 21 65.299 5.314 8.754 1.00 0.00 H new ATOM 338 N LYS A 22 59.384 1.409 8.248 1.00 0.00 N ATOM 339 CA LYS A 22 57.974 1.258 7.877 1.00 0.00 C ATOM 340 C LYS A 22 57.196 0.789 9.086 1.00 0.00 C ATOM 341 O LYS A 22 56.244 1.432 9.507 1.00 0.00 O ATOM 342 CB LYS A 22 57.792 0.237 6.751 1.00 0.00 C ATOM 343 CG LYS A 22 58.820 0.494 5.659 1.00 0.00 C ATOM 344 CD LYS A 22 58.506 1.812 4.926 1.00 0.00 C ATOM 345 CE LYS A 22 59.475 2.910 5.380 1.00 0.00 C ATOM 346 NZ LYS A 22 60.846 2.599 4.888 1.00 0.00 N ATOM 0 H LYS A 22 60.001 0.675 7.899 1.00 0.00 H new ATOM 0 HA LYS A 22 57.611 2.224 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 22 57.906 -0.774 7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 22 56.785 0.309 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 22 59.818 0.541 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 22 58.821 -0.333 4.949 1.00 0.00 H new ATOM 0 HD2 LYS A 22 58.587 1.667 3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 22 57.479 2.115 5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 22 59.150 3.877 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 22 59.475 2.982 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 61.372 3.484 4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 61.341 2.012 5.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 60.783 2.084 3.987 1.00 0.00 H new ATOM 360 N LEU A 23 57.649 -0.321 9.659 1.00 0.00 N ATOM 361 CA LEU A 23 57.036 -0.889 10.848 1.00 0.00 C ATOM 362 C LEU A 23 56.474 0.232 11.702 1.00 0.00 C ATOM 363 O LEU A 23 55.375 0.146 12.247 1.00 0.00 O ATOM 364 CB LEU A 23 58.143 -1.568 11.651 1.00 0.00 C ATOM 365 CG LEU A 23 58.255 -3.059 11.342 1.00 0.00 C ATOM 366 CD1 LEU A 23 59.018 -3.277 10.036 1.00 0.00 C ATOM 367 CD2 LEU A 23 59.041 -3.703 12.473 1.00 0.00 C ATOM 0 H LEU A 23 58.449 -0.849 9.311 1.00 0.00 H new ATOM 0 HA LEU A 23 56.245 -1.587 10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 23 59.095 -1.082 11.435 1.00 0.00 H new ATOM 0 HB3 LEU A 23 57.951 -1.434 12.715 1.00 0.00 H new ATOM 0 HG LEU A 23 57.259 -3.492 11.245 1.00 0.00 H new ATOM 0 HD11 LEU A 23 59.089 -4.345 9.830 1.00 0.00 H new ATOM 0 HD12 LEU A 23 58.490 -2.784 9.220 1.00 0.00 H new ATOM 0 HD13 LEU A 23 60.020 -2.857 10.126 1.00 0.00 H new ATOM 0 HD21 LEU A 23 59.140 -4.772 12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 23 60.031 -3.251 12.531 1.00 0.00 H new ATOM 0 HD23 LEU A 23 58.516 -3.548 13.415 1.00 0.00 H new ATOM 379 N PHE A 24 57.279 1.274 11.815 1.00 0.00 N ATOM 380 CA PHE A 24 56.936 2.436 12.606 1.00 0.00 C ATOM 381 C PHE A 24 55.829 3.247 11.923 1.00 0.00 C ATOM 382 O PHE A 24 54.704 3.351 12.430 1.00 0.00 O ATOM 383 CB PHE A 24 58.198 3.290 12.750 1.00 0.00 C ATOM 384 CG PHE A 24 59.312 2.509 13.443 1.00 0.00 C ATOM 385 CD1 PHE A 24 60.321 3.203 14.119 1.00 0.00 C ATOM 386 CD2 PHE A 24 59.352 1.103 13.407 1.00 0.00 C ATOM 387 CE1 PHE A 24 61.355 2.507 14.755 1.00 0.00 C ATOM 388 CE2 PHE A 24 60.384 0.414 14.041 1.00 0.00 C ATOM 389 CZ PHE A 24 61.385 1.112 14.715 1.00 0.00 C ATOM 0 H PHE A 24 58.189 1.335 11.359 1.00 0.00 H new ATOM 0 HA PHE A 24 56.567 2.127 13.584 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.535 3.615 11.766 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.969 4.189 13.322 1.00 0.00 H new ATOM 0 HD1 PHE A 24 60.302 4.282 14.150 1.00 0.00 H new ATOM 0 HD2 PHE A 24 58.580 0.556 12.886 1.00 0.00 H new ATOM 0 HE1 PHE A 24 62.130 3.049 15.277 1.00 0.00 H new ATOM 0 HE2 PHE A 24 60.408 -0.665 14.010 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.183 0.574 15.206 1.00 0.00 H new ATOM 399 N GLU A 25 56.133 3.781 10.747 1.00 0.00 N ATOM 400 CA GLU A 25 55.140 4.542 10.000 1.00 0.00 C ATOM 401 C GLU A 25 53.981 3.620 9.677 1.00 0.00 C ATOM 402 O GLU A 25 52.850 4.054 9.462 1.00 0.00 O ATOM 403 CB GLU A 25 55.756 5.107 8.710 1.00 0.00 C ATOM 404 CG GLU A 25 55.492 6.614 8.626 1.00 0.00 C ATOM 405 CD GLU A 25 56.154 7.191 7.380 1.00 0.00 C ATOM 406 OE1 GLU A 25 55.470 7.327 6.378 1.00 0.00 O ATOM 407 OE2 GLU A 25 57.335 7.491 7.445 1.00 0.00 O ATOM 0 H GLU A 25 57.044 3.704 10.295 1.00 0.00 H new ATOM 0 HA GLU A 25 54.789 5.385 10.596 1.00 0.00 H new ATOM 0 HB2 GLU A 25 56.829 4.915 8.694 1.00 0.00 H new ATOM 0 HB3 GLU A 25 55.329 4.605 7.842 1.00 0.00 H new ATOM 0 HG2 GLU A 25 54.419 6.802 8.598 1.00 0.00 H new ATOM 0 HG3 GLU A 25 55.879 7.110 9.516 1.00 0.00 H new ATOM 414 N LEU A 26 54.289 2.336 9.681 1.00 0.00 N ATOM 415 CA LEU A 26 53.305 1.310 9.430 1.00 0.00 C ATOM 416 C LEU A 26 52.566 1.025 10.723 1.00 0.00 C ATOM 417 O LEU A 26 51.396 0.657 10.711 1.00 0.00 O ATOM 418 CB LEU A 26 54.002 0.057 8.883 1.00 0.00 C ATOM 419 CG LEU A 26 53.101 -1.163 9.005 1.00 0.00 C ATOM 420 CD1 LEU A 26 53.037 -1.581 10.482 1.00 0.00 C ATOM 421 CD2 LEU A 26 51.694 -0.845 8.447 1.00 0.00 C ATOM 0 H LEU A 26 55.228 1.980 9.859 1.00 0.00 H new ATOM 0 HA LEU A 26 52.582 1.637 8.683 1.00 0.00 H new ATOM 0 HB2 LEU A 26 54.271 0.212 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 26 54.930 -0.115 9.429 1.00 0.00 H new ATOM 0 HG LEU A 26 53.505 -1.989 8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 26 52.394 -2.455 10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 26 54.039 -1.824 10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 26 52.632 -0.761 11.075 1.00 0.00 H new ATOM 0 HD21 LEU A 26 51.058 -1.726 8.540 1.00 0.00 H new ATOM 0 HD22 LEU A 26 51.257 -0.021 9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 26 51.774 -0.564 7.397 1.00 0.00 H new ATOM 433 N MET A 27 53.242 1.237 11.849 1.00 0.00 N ATOM 434 CA MET A 27 52.594 1.034 13.129 1.00 0.00 C ATOM 435 C MET A 27 51.310 1.833 13.087 1.00 0.00 C ATOM 436 O MET A 27 50.285 1.440 13.643 1.00 0.00 O ATOM 437 CB MET A 27 53.497 1.492 14.287 1.00 0.00 C ATOM 438 CG MET A 27 53.178 2.937 14.679 1.00 0.00 C ATOM 439 SD MET A 27 54.493 3.575 15.747 1.00 0.00 S ATOM 440 CE MET A 27 53.705 5.152 16.158 1.00 0.00 C ATOM 0 H MET A 27 54.214 1.542 11.897 1.00 0.00 H new ATOM 0 HA MET A 27 52.391 -0.023 13.302 1.00 0.00 H new ATOM 0 HB2 MET A 27 53.356 0.837 15.146 1.00 0.00 H new ATOM 0 HB3 MET A 27 54.544 1.412 13.993 1.00 0.00 H new ATOM 0 HG2 MET A 27 53.087 3.556 13.786 1.00 0.00 H new ATOM 0 HG3 MET A 27 52.220 2.982 15.197 1.00 0.00 H new ATOM 0 HE1 MET A 27 54.355 5.721 16.822 1.00 0.00 H new ATOM 0 HE2 MET A 27 53.531 5.721 15.245 1.00 0.00 H new ATOM 0 HE3 MET A 27 52.753 4.965 16.655 1.00 0.00 H new ATOM 450 N GLN A 28 51.380 2.948 12.360 1.00 0.00 N ATOM 451 CA GLN A 28 50.209 3.791 12.178 1.00 0.00 C ATOM 452 C GLN A 28 49.252 3.084 11.224 1.00 0.00 C ATOM 453 O GLN A 28 48.066 3.407 11.151 1.00 0.00 O ATOM 454 CB GLN A 28 50.610 5.151 11.601 1.00 0.00 C ATOM 455 CG GLN A 28 51.580 5.849 12.558 1.00 0.00 C ATOM 456 CD GLN A 28 51.687 7.329 12.205 1.00 0.00 C ATOM 457 OE1 GLN A 28 51.620 7.695 11.032 1.00 0.00 O ATOM 458 NE2 GLN A 28 51.851 8.207 13.157 1.00 0.00 N ATOM 0 H GLN A 28 52.225 3.281 11.895 1.00 0.00 H new ATOM 0 HA GLN A 28 49.727 3.961 13.141 1.00 0.00 H new ATOM 0 HB2 GLN A 28 51.077 5.020 10.625 1.00 0.00 H new ATOM 0 HB3 GLN A 28 49.725 5.769 11.450 1.00 0.00 H new ATOM 0 HG2 GLN A 28 51.234 5.736 13.586 1.00 0.00 H new ATOM 0 HG3 GLN A 28 52.562 5.381 12.499 1.00 0.00 H new ATOM 0 HE21 GLN A 28 51.906 7.901 14.129 1.00 0.00 H new ATOM 0 HE22 GLN A 28 51.924 9.199 12.929 1.00 0.00 H new ATOM 467 N GLY A 29 49.792 2.097 10.507 1.00 0.00 N ATOM 468 CA GLY A 29 49.005 1.306 9.560 1.00 0.00 C ATOM 469 C GLY A 29 48.406 0.092 10.262 1.00 0.00 C ATOM 470 O GLY A 29 47.190 -0.102 10.261 1.00 0.00 O ATOM 0 H GLY A 29 50.774 1.826 10.565 1.00 0.00 H new ATOM 0 HA2 GLY A 29 48.210 1.919 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.636 0.983 8.732 1.00 0.00 H new ATOM 474 N PHE A 30 49.267 -0.700 10.895 1.00 0.00 N ATOM 475 CA PHE A 30 48.815 -1.872 11.642 1.00 0.00 C ATOM 476 C PHE A 30 48.915 -1.570 13.127 1.00 0.00 C ATOM 477 O PHE A 30 49.841 -0.888 13.565 1.00 0.00 O ATOM 478 CB PHE A 30 49.673 -3.114 11.367 1.00 0.00 C ATOM 479 CG PHE A 30 49.824 -3.393 9.890 1.00 0.00 C ATOM 480 CD1 PHE A 30 48.718 -3.427 9.040 1.00 0.00 C ATOM 481 CD2 PHE A 30 51.091 -3.669 9.388 1.00 0.00 C ATOM 482 CE1 PHE A 30 48.897 -3.738 7.685 1.00 0.00 C ATOM 483 CE2 PHE A 30 51.277 -3.974 8.045 1.00 0.00 C ATOM 484 CZ PHE A 30 50.180 -4.010 7.186 1.00 0.00 C ATOM 0 H PHE A 30 50.276 -0.554 10.906 1.00 0.00 H new ATOM 0 HA PHE A 30 47.793 -2.081 11.327 1.00 0.00 H new ATOM 0 HB2 PHE A 30 50.659 -2.977 11.811 1.00 0.00 H new ATOM 0 HB3 PHE A 30 49.222 -3.979 11.853 1.00 0.00 H new ATOM 0 HD1 PHE A 30 47.731 -3.215 9.423 1.00 0.00 H new ATOM 0 HD2 PHE A 30 51.943 -3.646 10.051 1.00 0.00 H new ATOM 0 HE1 PHE A 30 48.044 -3.768 7.023 1.00 0.00 H new ATOM 0 HE2 PHE A 30 52.268 -4.182 7.668 1.00 0.00 H new ATOM 0 HZ PHE A 30 50.317 -4.246 6.141 1.00 0.00 H new ATOM 494 N ASP A 31 47.993 -2.111 13.907 1.00 0.00 N ATOM 495 CA ASP A 31 48.033 -1.923 15.338 1.00 0.00 C ATOM 496 C ASP A 31 48.679 -3.153 15.910 1.00 0.00 C ATOM 497 O ASP A 31 48.057 -4.212 15.993 1.00 0.00 O ATOM 498 CB ASP A 31 46.626 -1.739 15.902 1.00 0.00 C ATOM 499 CG ASP A 31 46.697 -1.431 17.394 1.00 0.00 C ATOM 500 OD1 ASP A 31 47.771 -1.564 17.957 1.00 0.00 O ATOM 501 OD2 ASP A 31 45.675 -1.067 17.953 1.00 0.00 O ATOM 0 H ASP A 31 47.215 -2.679 13.571 1.00 0.00 H new ATOM 0 HA ASP A 31 48.595 -1.026 15.599 1.00 0.00 H new ATOM 0 HB2 ASP A 31 46.119 -0.928 15.379 1.00 0.00 H new ATOM 0 HB3 ASP A 31 46.038 -2.642 15.736 1.00 0.00 H new ATOM 506 N ALA A 32 49.946 -3.038 16.247 1.00 0.00 N ATOM 507 CA ALA A 32 50.658 -4.166 16.738 1.00 0.00 C ATOM 508 C ALA A 32 52.005 -3.740 17.256 1.00 0.00 C ATOM 509 O ALA A 32 52.594 -2.764 16.790 1.00 0.00 O ATOM 510 CB ALA A 32 50.813 -5.176 15.617 1.00 0.00 C ATOM 0 H ALA A 32 50.488 -2.176 16.186 1.00 0.00 H new ATOM 0 HA ALA A 32 50.107 -4.622 17.560 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.358 -6.046 15.984 1.00 0.00 H new ATOM 0 HB2 ALA A 32 49.828 -5.486 15.268 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.364 -4.723 14.793 1.00 0.00 H new ATOM 516 N GLU A 33 52.471 -4.471 18.232 1.00 0.00 N ATOM 517 CA GLU A 33 53.731 -4.187 18.850 1.00 0.00 C ATOM 518 C GLU A 33 54.771 -5.156 18.350 1.00 0.00 C ATOM 519 O GLU A 33 54.975 -6.235 18.903 1.00 0.00 O ATOM 520 CB GLU A 33 53.542 -4.306 20.337 1.00 0.00 C ATOM 521 CG GLU A 33 54.173 -3.103 21.021 1.00 0.00 C ATOM 522 CD GLU A 33 54.206 -3.311 22.531 1.00 0.00 C ATOM 523 OE1 GLU A 33 55.009 -2.661 23.181 1.00 0.00 O ATOM 524 OE2 GLU A 33 53.429 -4.117 23.016 1.00 0.00 O ATOM 0 H GLU A 33 51.985 -5.280 18.619 1.00 0.00 H new ATOM 0 HA GLU A 33 54.075 -3.182 18.604 1.00 0.00 H new ATOM 0 HB2 GLU A 33 52.480 -4.360 20.577 1.00 0.00 H new ATOM 0 HB3 GLU A 33 53.998 -5.227 20.701 1.00 0.00 H new ATOM 0 HG2 GLU A 33 55.185 -2.952 20.646 1.00 0.00 H new ATOM 0 HG3 GLU A 33 53.607 -2.202 20.783 1.00 0.00 H new ATOM 531 N VAL A 34 55.406 -4.745 17.283 1.00 0.00 N ATOM 532 CA VAL A 34 56.427 -5.554 16.646 1.00 0.00 C ATOM 533 C VAL A 34 57.740 -5.447 17.398 1.00 0.00 C ATOM 534 O VAL A 34 58.290 -4.356 17.540 1.00 0.00 O ATOM 535 CB VAL A 34 56.666 -5.093 15.205 1.00 0.00 C ATOM 536 CG1 VAL A 34 57.277 -6.242 14.394 1.00 0.00 C ATOM 537 CG2 VAL A 34 55.355 -4.634 14.565 1.00 0.00 C ATOM 0 H VAL A 34 55.236 -3.847 16.829 1.00 0.00 H new ATOM 0 HA VAL A 34 56.075 -6.585 16.652 1.00 0.00 H new ATOM 0 HB VAL A 34 57.357 -4.250 15.212 1.00 0.00 H new ATOM 0 HG11 VAL A 34 57.447 -5.914 13.369 1.00 0.00 H new ATOM 0 HG12 VAL A 34 58.225 -6.539 14.842 1.00 0.00 H new ATOM 0 HG13 VAL A 34 56.594 -7.091 14.394 1.00 0.00 H new ATOM 0 HG21 VAL A 34 55.544 -4.310 13.542 1.00 0.00 H new ATOM 0 HG22 VAL A 34 54.644 -5.460 14.559 1.00 0.00 H new ATOM 0 HG23 VAL A 34 54.941 -3.804 15.138 1.00 0.00 H new ATOM 547 N LEU A 35 58.257 -6.576 17.863 1.00 0.00 N ATOM 548 CA LEU A 35 59.523 -6.561 18.573 1.00 0.00 C ATOM 549 C LEU A 35 60.585 -7.267 17.734 1.00 0.00 C ATOM 550 O LEU A 35 60.444 -8.436 17.375 1.00 0.00 O ATOM 551 CB LEU A 35 59.353 -7.234 19.941 1.00 0.00 C ATOM 552 CG LEU A 35 60.706 -7.528 20.618 1.00 0.00 C ATOM 553 CD1 LEU A 35 61.400 -8.734 19.964 1.00 0.00 C ATOM 554 CD2 LEU A 35 61.612 -6.295 20.537 1.00 0.00 C ATOM 0 H LEU A 35 57.828 -7.496 17.763 1.00 0.00 H new ATOM 0 HA LEU A 35 59.847 -5.533 18.739 1.00 0.00 H new ATOM 0 HB2 LEU A 35 58.757 -6.591 20.589 1.00 0.00 H new ATOM 0 HB3 LEU A 35 58.800 -8.165 19.820 1.00 0.00 H new ATOM 0 HG LEU A 35 60.518 -7.769 21.664 1.00 0.00 H new ATOM 0 HD11 LEU A 35 62.352 -8.919 20.461 1.00 0.00 H new ATOM 0 HD12 LEU A 35 60.764 -9.614 20.058 1.00 0.00 H new ATOM 0 HD13 LEU A 35 61.576 -8.524 18.909 1.00 0.00 H new ATOM 0 HD21 LEU A 35 62.566 -6.512 21.018 1.00 0.00 H new ATOM 0 HD22 LEU A 35 61.783 -6.037 19.492 1.00 0.00 H new ATOM 0 HD23 LEU A 35 61.133 -5.457 21.044 1.00 0.00 H new ATOM 566 N LEU A 36 61.634 -6.527 17.409 1.00 0.00 N ATOM 567 CA LEU A 36 62.731 -7.034 16.594 1.00 0.00 C ATOM 568 C LEU A 36 63.963 -7.309 17.443 1.00 0.00 C ATOM 569 O LEU A 36 64.453 -6.421 18.130 1.00 0.00 O ATOM 570 CB LEU A 36 63.077 -5.983 15.552 1.00 0.00 C ATOM 571 CG LEU A 36 62.058 -6.044 14.420 1.00 0.00 C ATOM 572 CD1 LEU A 36 60.658 -5.764 14.977 1.00 0.00 C ATOM 573 CD2 LEU A 36 62.409 -4.990 13.379 1.00 0.00 C ATOM 0 H LEU A 36 61.750 -5.557 17.702 1.00 0.00 H new ATOM 0 HA LEU A 36 62.421 -7.968 16.125 1.00 0.00 H new ATOM 0 HB2 LEU A 36 63.077 -4.991 16.004 1.00 0.00 H new ATOM 0 HB3 LEU A 36 64.081 -6.156 15.163 1.00 0.00 H new ATOM 0 HG LEU A 36 62.074 -7.034 13.963 1.00 0.00 H new ATOM 0 HD11 LEU A 36 59.929 -5.808 14.168 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.410 -6.512 15.730 1.00 0.00 H new ATOM 0 HD13 LEU A 36 60.638 -4.773 15.430 1.00 0.00 H new ATOM 0 HD21 LEU A 36 61.685 -5.027 12.565 1.00 0.00 H new ATOM 0 HD22 LEU A 36 62.387 -4.002 13.840 1.00 0.00 H new ATOM 0 HD23 LEU A 36 63.407 -5.185 12.986 1.00 0.00 H new ATOM 585 N ARG A 37 64.462 -8.539 17.398 1.00 0.00 N ATOM 586 CA ARG A 37 65.628 -8.895 18.170 1.00 0.00 C ATOM 587 C ARG A 37 66.458 -9.951 17.479 1.00 0.00 C ATOM 588 O ARG A 37 65.971 -10.682 16.626 1.00 0.00 O ATOM 589 CB ARG A 37 65.205 -9.437 19.521 1.00 0.00 C ATOM 590 CG ARG A 37 64.327 -10.665 19.327 1.00 0.00 C ATOM 591 CD ARG A 37 63.840 -11.184 20.686 1.00 0.00 C ATOM 592 NE ARG A 37 62.519 -11.784 20.552 1.00 0.00 N ATOM 593 CZ ARG A 37 62.026 -12.578 21.497 1.00 0.00 C ATOM 594 NH1 ARG A 37 60.840 -13.104 21.354 1.00 0.00 N ATOM 595 NH2 ARG A 37 62.728 -12.833 22.567 1.00 0.00 N ATOM 0 H ARG A 37 64.074 -9.297 16.836 1.00 0.00 H new ATOM 0 HA ARG A 37 66.228 -7.992 18.283 1.00 0.00 H new ATOM 0 HB2 ARG A 37 66.084 -9.696 20.112 1.00 0.00 H new ATOM 0 HB3 ARG A 37 64.661 -8.673 20.077 1.00 0.00 H new ATOM 0 HG2 ARG A 37 63.473 -10.416 18.697 1.00 0.00 H new ATOM 0 HG3 ARG A 37 64.887 -11.444 18.811 1.00 0.00 H new ATOM 0 HD2 ARG A 37 64.544 -11.920 21.076 1.00 0.00 H new ATOM 0 HD3 ARG A 37 63.804 -10.365 21.405 1.00 0.00 H new ATOM 0 HE ARG A 37 61.963 -11.591 19.719 1.00 0.00 H new ATOM 0 HH11 ARG A 37 60.292 -12.906 20.517 1.00 0.00 H new ATOM 0 HH12 ARG A 37 60.462 -13.713 22.079 1.00 0.00 H new ATOM 0 HH21 ARG A 37 63.655 -12.423 22.678 1.00 0.00 H new ATOM 0 HH22 ARG A 37 62.349 -13.442 23.292 1.00 0.00 H new ATOM 609 N ASN A 38 67.704 -10.055 17.904 1.00 0.00 N ATOM 610 CA ASN A 38 68.598 -11.063 17.365 1.00 0.00 C ATOM 611 C ASN A 38 68.612 -12.270 18.276 1.00 0.00 C ATOM 612 O ASN A 38 68.793 -12.130 19.493 1.00 0.00 O ATOM 613 CB ASN A 38 70.035 -10.587 17.299 1.00 0.00 C ATOM 614 CG ASN A 38 70.214 -9.397 16.394 1.00 0.00 C ATOM 615 OD1 ASN A 38 69.376 -9.114 15.542 1.00 0.00 O ATOM 616 ND2 ASN A 38 71.290 -8.685 16.537 1.00 0.00 N ATOM 0 H ASN A 38 68.119 -9.456 18.618 1.00 0.00 H new ATOM 0 HA ASN A 38 68.231 -11.290 16.364 1.00 0.00 H new ATOM 0 HB2 ASN A 38 70.374 -10.329 18.302 1.00 0.00 H new ATOM 0 HB3 ASN A 38 70.668 -11.403 16.949 1.00 0.00 H new ATOM 0 HD21 ASN A 38 71.450 -7.876 15.937 1.00 0.00 H new ATOM 0 HD22 ASN A 38 71.976 -8.934 17.250 1.00 0.00 H new ATOM 623 N ASP A 39 68.488 -13.447 17.683 1.00 0.00 N ATOM 624 CA ASP A 39 68.541 -14.677 18.460 1.00 0.00 C ATOM 625 C ASP A 39 69.819 -14.678 19.291 1.00 0.00 C ATOM 626 O ASP A 39 70.031 -15.544 20.140 1.00 0.00 O ATOM 627 CB ASP A 39 68.522 -15.893 17.533 1.00 0.00 C ATOM 628 CG ASP A 39 68.484 -17.176 18.356 1.00 0.00 C ATOM 629 OD1 ASP A 39 67.392 -17.625 18.666 1.00 0.00 O ATOM 630 OD2 ASP A 39 69.546 -17.690 18.666 1.00 0.00 O ATOM 0 H ASP A 39 68.352 -13.577 16.681 1.00 0.00 H new ATOM 0 HA ASP A 39 67.671 -14.731 19.115 1.00 0.00 H new ATOM 0 HB2 ASP A 39 67.653 -15.847 16.877 1.00 0.00 H new ATOM 0 HB3 ASP A 39 69.405 -15.887 16.894 1.00 0.00 H new ATOM 635 N GLU A 40 70.662 -13.682 19.031 1.00 0.00 N ATOM 636 CA GLU A 40 71.924 -13.530 19.740 1.00 0.00 C ATOM 637 C GLU A 40 71.678 -12.991 21.138 1.00 0.00 C ATOM 638 O GLU A 40 72.512 -13.136 22.032 1.00 0.00 O ATOM 639 CB GLU A 40 72.802 -12.522 18.992 1.00 0.00 C ATOM 640 CG GLU A 40 73.509 -13.195 17.815 1.00 0.00 C ATOM 641 CD GLU A 40 74.396 -14.335 18.306 1.00 0.00 C ATOM 642 OE1 GLU A 40 75.325 -14.059 19.047 1.00 0.00 O ATOM 643 OE2 GLU A 40 74.133 -15.467 17.934 1.00 0.00 O ATOM 0 H GLU A 40 70.489 -12.964 18.328 1.00 0.00 H new ATOM 0 HA GLU A 40 72.412 -14.503 19.799 1.00 0.00 H new ATOM 0 HB2 GLU A 40 72.190 -11.695 18.631 1.00 0.00 H new ATOM 0 HB3 GLU A 40 73.540 -12.099 19.673 1.00 0.00 H new ATOM 0 HG2 GLU A 40 72.771 -13.578 17.111 1.00 0.00 H new ATOM 0 HG3 GLU A 40 74.112 -12.463 17.278 1.00 0.00 H new ATOM 650 N GLY A 41 70.533 -12.348 21.307 1.00 0.00 N ATOM 651 CA GLY A 41 70.177 -11.756 22.585 1.00 0.00 C ATOM 652 C GLY A 41 69.981 -10.256 22.421 1.00 0.00 C ATOM 653 O GLY A 41 69.652 -9.555 23.378 1.00 0.00 O ATOM 0 H GLY A 41 69.835 -12.223 20.574 1.00 0.00 H new ATOM 0 HA2 GLY A 41 69.263 -12.212 22.965 1.00 0.00 H new ATOM 0 HA3 GLY A 41 70.960 -11.952 23.318 1.00 0.00 H new ATOM 657 N THR A 42 70.166 -9.766 21.192 1.00 0.00 N ATOM 658 CA THR A 42 69.976 -8.335 20.931 1.00 0.00 C ATOM 659 C THR A 42 68.487 -8.075 20.758 1.00 0.00 C ATOM 660 O THR A 42 67.773 -8.936 20.260 1.00 0.00 O ATOM 661 CB THR A 42 70.774 -7.884 19.688 1.00 0.00 C ATOM 662 OG1 THR A 42 71.746 -6.928 20.087 1.00 0.00 O ATOM 663 CG2 THR A 42 69.849 -7.248 18.641 1.00 0.00 C ATOM 0 H THR A 42 70.440 -10.321 20.381 1.00 0.00 H new ATOM 0 HA THR A 42 70.353 -7.753 21.772 1.00 0.00 H new ATOM 0 HB THR A 42 71.252 -8.758 19.245 1.00 0.00 H new ATOM 0 HG1 THR A 42 72.360 -6.756 19.343 1.00 0.00 H new ATOM 0 HG21 THR A 42 70.436 -6.939 17.776 1.00 0.00 H new ATOM 0 HG22 THR A 42 69.098 -7.974 18.329 1.00 0.00 H new ATOM 0 HG23 THR A 42 69.354 -6.378 19.073 1.00 0.00 H new ATOM 671 N GLU A 43 68.009 -6.910 21.192 1.00 0.00 N ATOM 672 CA GLU A 43 66.579 -6.617 21.088 1.00 0.00 C ATOM 673 C GLU A 43 66.294 -5.205 20.594 1.00 0.00 C ATOM 674 O GLU A 43 66.845 -4.229 21.103 1.00 0.00 O ATOM 675 CB GLU A 43 65.918 -6.816 22.454 1.00 0.00 C ATOM 676 CG GLU A 43 66.776 -6.157 23.536 1.00 0.00 C ATOM 677 CD GLU A 43 66.065 -6.229 24.883 1.00 0.00 C ATOM 678 OE1 GLU A 43 65.069 -6.929 24.969 1.00 0.00 O ATOM 679 OE2 GLU A 43 66.528 -5.584 25.810 1.00 0.00 O ATOM 0 H GLU A 43 68.573 -6.170 21.609 1.00 0.00 H new ATOM 0 HA GLU A 43 66.166 -7.306 20.351 1.00 0.00 H new ATOM 0 HB2 GLU A 43 64.918 -6.382 22.453 1.00 0.00 H new ATOM 0 HB3 GLU A 43 65.803 -7.880 22.663 1.00 0.00 H new ATOM 0 HG2 GLU A 43 67.743 -6.656 23.599 1.00 0.00 H new ATOM 0 HG3 GLU A 43 66.971 -5.117 23.274 1.00 0.00 H new ATOM 686 N ALA A 44 65.403 -5.110 19.602 1.00 0.00 N ATOM 687 CA ALA A 44 65.016 -3.823 19.046 1.00 0.00 C ATOM 688 C ALA A 44 63.501 -3.671 19.031 1.00 0.00 C ATOM 689 O ALA A 44 62.794 -4.442 18.383 1.00 0.00 O ATOM 690 CB ALA A 44 65.541 -3.693 17.617 1.00 0.00 C ATOM 0 H ALA A 44 64.941 -5.911 19.173 1.00 0.00 H new ATOM 0 HA ALA A 44 65.446 -3.042 19.674 1.00 0.00 H new ATOM 0 HB1 ALA A 44 65.247 -2.726 17.208 1.00 0.00 H new ATOM 0 HB2 ALA A 44 66.628 -3.770 17.620 1.00 0.00 H new ATOM 0 HB3 ALA A 44 65.123 -4.490 17.002 1.00 0.00 H new ATOM 696 N GLU A 45 63.015 -2.650 19.723 1.00 0.00 N ATOM 697 CA GLU A 45 61.589 -2.380 19.759 1.00 0.00 C ATOM 698 C GLU A 45 61.199 -1.614 18.512 1.00 0.00 C ATOM 699 O GLU A 45 61.622 -0.474 18.333 1.00 0.00 O ATOM 700 CB GLU A 45 61.249 -1.549 20.994 1.00 0.00 C ATOM 701 CG GLU A 45 61.246 -2.454 22.218 1.00 0.00 C ATOM 702 CD GLU A 45 60.940 -1.642 23.472 1.00 0.00 C ATOM 703 OE1 GLU A 45 60.093 -0.767 23.395 1.00 0.00 O ATOM 704 OE2 GLU A 45 61.557 -1.906 24.491 1.00 0.00 O ATOM 0 H GLU A 45 63.585 -2.000 20.263 1.00 0.00 H new ATOM 0 HA GLU A 45 61.042 -3.322 19.802 1.00 0.00 H new ATOM 0 HB2 GLU A 45 61.977 -0.748 21.120 1.00 0.00 H new ATOM 0 HB3 GLU A 45 60.274 -1.077 20.873 1.00 0.00 H new ATOM 0 HG2 GLU A 45 60.502 -3.241 22.095 1.00 0.00 H new ATOM 0 HG3 GLU A 45 62.215 -2.943 22.320 1.00 0.00 H new ATOM 711 N ALA A 46 60.416 -2.241 17.642 1.00 0.00 N ATOM 712 CA ALA A 46 60.011 -1.584 16.413 1.00 0.00 C ATOM 713 C ALA A 46 59.507 -0.173 16.691 1.00 0.00 C ATOM 714 O ALA A 46 58.323 0.122 16.529 1.00 0.00 O ATOM 715 CB ALA A 46 58.915 -2.376 15.735 1.00 0.00 C ATOM 0 H ALA A 46 60.056 -3.187 17.764 1.00 0.00 H new ATOM 0 HA ALA A 46 60.882 -1.527 15.761 1.00 0.00 H new ATOM 0 HB1 ALA A 46 58.619 -1.873 14.814 1.00 0.00 H new ATOM 0 HB2 ALA A 46 59.280 -3.376 15.501 1.00 0.00 H new ATOM 0 HB3 ALA A 46 58.055 -2.450 16.400 1.00 0.00 H new ATOM 721 N ASN A 47 60.417 0.686 17.107 1.00 0.00 N ATOM 722 CA ASN A 47 60.089 2.067 17.412 1.00 0.00 C ATOM 723 C ASN A 47 61.377 2.819 17.702 1.00 0.00 C ATOM 724 O ASN A 47 61.402 4.049 17.748 1.00 0.00 O ATOM 725 CB ASN A 47 59.153 2.137 18.619 1.00 0.00 C ATOM 726 CG ASN A 47 58.971 3.586 19.056 1.00 0.00 C ATOM 727 OD1 ASN A 47 58.393 4.389 18.322 1.00 0.00 O ATOM 728 ND2 ASN A 47 59.433 3.972 20.214 1.00 0.00 N ATOM 0 H ASN A 47 61.400 0.449 17.243 1.00 0.00 H new ATOM 0 HA ASN A 47 59.580 2.520 16.562 1.00 0.00 H new ATOM 0 HB2 ASN A 47 58.187 1.701 18.366 1.00 0.00 H new ATOM 0 HB3 ASN A 47 59.562 1.550 19.441 1.00 0.00 H new ATOM 0 HD21 ASN A 47 59.316 4.940 20.513 1.00 0.00 H new ATOM 0 HD22 ASN A 47 59.911 3.305 20.820 1.00 0.00 H new ATOM 735 N SER A 48 62.453 2.054 17.889 1.00 0.00 N ATOM 736 CA SER A 48 63.763 2.635 18.167 1.00 0.00 C ATOM 737 C SER A 48 64.728 2.363 17.010 1.00 0.00 C ATOM 738 O SER A 48 65.118 1.220 16.773 1.00 0.00 O ATOM 739 CB SER A 48 64.323 2.033 19.455 1.00 0.00 C ATOM 740 OG SER A 48 63.802 2.742 20.571 1.00 0.00 O ATOM 0 H SER A 48 62.442 1.035 17.853 1.00 0.00 H new ATOM 0 HA SER A 48 63.652 3.713 18.282 1.00 0.00 H new ATOM 0 HB2 SER A 48 64.056 0.978 19.523 1.00 0.00 H new ATOM 0 HB3 SER A 48 65.412 2.087 19.452 1.00 0.00 H new ATOM 0 HG SER A 48 64.158 2.357 21.399 1.00 0.00 H new ATOM 746 N VAL A 49 65.111 3.421 16.295 1.00 0.00 N ATOM 747 CA VAL A 49 66.031 3.280 15.166 1.00 0.00 C ATOM 748 C VAL A 49 67.404 2.836 15.644 1.00 0.00 C ATOM 749 O VAL A 49 68.105 2.098 14.952 1.00 0.00 O ATOM 750 CB VAL A 49 66.155 4.606 14.416 1.00 0.00 C ATOM 751 CG1 VAL A 49 66.512 4.340 12.951 1.00 0.00 C ATOM 752 CG2 VAL A 49 64.822 5.356 14.489 1.00 0.00 C ATOM 0 H VAL A 49 64.802 4.376 16.475 1.00 0.00 H new ATOM 0 HA VAL A 49 65.630 2.522 14.494 1.00 0.00 H new ATOM 0 HB VAL A 49 66.940 5.208 14.873 1.00 0.00 H new ATOM 0 HG11 VAL A 49 66.599 5.288 12.420 1.00 0.00 H new ATOM 0 HG12 VAL A 49 67.461 3.806 12.899 1.00 0.00 H new ATOM 0 HG13 VAL A 49 65.730 3.736 12.490 1.00 0.00 H new ATOM 0 HG21 VAL A 49 64.907 6.302 13.955 1.00 0.00 H new ATOM 0 HG22 VAL A 49 64.039 4.751 14.033 1.00 0.00 H new ATOM 0 HG23 VAL A 49 64.570 5.549 15.532 1.00 0.00 H new ATOM 762 N ILE A 50 67.777 3.275 16.836 1.00 0.00 N ATOM 763 CA ILE A 50 69.044 2.911 17.405 1.00 0.00 C ATOM 764 C ILE A 50 69.105 1.403 17.511 1.00 0.00 C ATOM 765 O ILE A 50 70.143 0.782 17.283 1.00 0.00 O ATOM 766 CB ILE A 50 69.126 3.578 18.779 1.00 0.00 C ATOM 767 CG1 ILE A 50 70.376 4.457 18.866 1.00 0.00 C ATOM 768 CG2 ILE A 50 69.134 2.539 19.892 1.00 0.00 C ATOM 769 CD1 ILE A 50 71.634 3.624 18.588 1.00 0.00 C ATOM 0 H ILE A 50 67.210 3.887 17.423 1.00 0.00 H new ATOM 0 HA ILE A 50 69.885 3.239 16.795 1.00 0.00 H new ATOM 0 HB ILE A 50 68.243 4.204 18.906 1.00 0.00 H new ATOM 0 HG12 ILE A 50 70.306 5.273 18.147 1.00 0.00 H new ATOM 0 HG13 ILE A 50 70.443 4.909 19.856 1.00 0.00 H new ATOM 0 HG21 ILE A 50 69.193 3.041 20.858 1.00 0.00 H new ATOM 0 HG22 ILE A 50 68.219 1.948 19.845 1.00 0.00 H new ATOM 0 HG23 ILE A 50 69.996 1.883 19.771 1.00 0.00 H new ATOM 0 HD11 ILE A 50 72.515 4.263 18.653 1.00 0.00 H new ATOM 0 HD12 ILE A 50 71.710 2.824 19.324 1.00 0.00 H new ATOM 0 HD13 ILE A 50 71.572 3.193 17.589 1.00 0.00 H new ATOM 781 N ALA A 51 67.963 0.830 17.844 1.00 0.00 N ATOM 782 CA ALA A 51 67.850 -0.597 17.967 1.00 0.00 C ATOM 783 C ALA A 51 67.887 -1.223 16.580 1.00 0.00 C ATOM 784 O ALA A 51 68.700 -2.105 16.311 1.00 0.00 O ATOM 785 CB ALA A 51 66.549 -0.927 18.695 1.00 0.00 C ATOM 0 H ALA A 51 67.101 1.341 18.033 1.00 0.00 H new ATOM 0 HA ALA A 51 68.681 -1.003 18.544 1.00 0.00 H new ATOM 0 HB1 ALA A 51 66.452 -2.008 18.794 1.00 0.00 H new ATOM 0 HB2 ALA A 51 66.560 -0.471 19.685 1.00 0.00 H new ATOM 0 HB3 ALA A 51 65.705 -0.538 18.126 1.00 0.00 H new ATOM 791 N LEU A 52 67.035 -0.732 15.684 1.00 0.00 N ATOM 792 CA LEU A 52 67.022 -1.235 14.324 1.00 0.00 C ATOM 793 C LEU A 52 68.451 -1.277 13.803 1.00 0.00 C ATOM 794 O LEU A 52 68.845 -2.219 13.115 1.00 0.00 O ATOM 795 CB LEU A 52 66.166 -0.325 13.431 1.00 0.00 C ATOM 796 CG LEU A 52 64.707 -0.292 13.930 1.00 0.00 C ATOM 797 CD1 LEU A 52 64.001 0.972 13.399 1.00 0.00 C ATOM 798 CD2 LEU A 52 63.944 -1.543 13.446 1.00 0.00 C ATOM 0 H LEU A 52 66.355 0.004 15.876 1.00 0.00 H new ATOM 0 HA LEU A 52 66.593 -2.237 14.309 1.00 0.00 H new ATOM 0 HB2 LEU A 52 66.578 0.684 13.429 1.00 0.00 H new ATOM 0 HB3 LEU A 52 66.196 -0.683 12.402 1.00 0.00 H new ATOM 0 HG LEU A 52 64.714 -0.278 15.020 1.00 0.00 H new ATOM 0 HD11 LEU A 52 62.971 0.990 13.755 1.00 0.00 H new ATOM 0 HD12 LEU A 52 64.524 1.859 13.757 1.00 0.00 H new ATOM 0 HD13 LEU A 52 64.008 0.962 12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 52 62.916 -1.504 13.807 1.00 0.00 H new ATOM 0 HD22 LEU A 52 63.945 -1.571 12.356 1.00 0.00 H new ATOM 0 HD23 LEU A 52 64.431 -2.438 13.833 1.00 0.00 H new ATOM 810 N LEU A 53 69.233 -0.257 14.155 1.00 0.00 N ATOM 811 CA LEU A 53 70.626 -0.210 13.732 1.00 0.00 C ATOM 812 C LEU A 53 71.394 -1.374 14.348 1.00 0.00 C ATOM 813 O LEU A 53 72.212 -2.017 13.692 1.00 0.00 O ATOM 814 CB LEU A 53 71.268 1.110 14.169 1.00 0.00 C ATOM 815 CG LEU A 53 72.449 1.440 13.245 1.00 0.00 C ATOM 816 CD1 LEU A 53 71.950 2.207 12.017 1.00 0.00 C ATOM 817 CD2 LEU A 53 73.466 2.299 14.001 1.00 0.00 C ATOM 0 H LEU A 53 68.930 0.534 14.723 1.00 0.00 H new ATOM 0 HA LEU A 53 70.663 -0.283 12.645 1.00 0.00 H new ATOM 0 HB2 LEU A 53 70.532 1.913 14.135 1.00 0.00 H new ATOM 0 HB3 LEU A 53 71.611 1.035 15.201 1.00 0.00 H new ATOM 0 HG LEU A 53 72.921 0.512 12.923 1.00 0.00 H new ATOM 0 HD11 LEU A 53 72.793 2.438 11.365 1.00 0.00 H new ATOM 0 HD12 LEU A 53 71.229 1.596 11.475 1.00 0.00 H new ATOM 0 HD13 LEU A 53 71.473 3.134 12.336 1.00 0.00 H new ATOM 0 HD21 LEU A 53 74.304 2.533 13.345 1.00 0.00 H new ATOM 0 HD22 LEU A 53 72.990 3.224 14.326 1.00 0.00 H new ATOM 0 HD23 LEU A 53 73.829 1.752 14.871 1.00 0.00 H new ATOM 829 N MET A 54 71.120 -1.633 15.621 1.00 0.00 N ATOM 830 CA MET A 54 71.784 -2.718 16.335 1.00 0.00 C ATOM 831 C MET A 54 71.722 -4.016 15.530 1.00 0.00 C ATOM 832 O MET A 54 72.723 -4.717 15.389 1.00 0.00 O ATOM 833 CB MET A 54 71.116 -2.928 17.702 1.00 0.00 C ATOM 834 CG MET A 54 72.008 -3.800 18.600 1.00 0.00 C ATOM 835 SD MET A 54 71.811 -3.286 20.326 1.00 0.00 S ATOM 836 CE MET A 54 70.215 -4.084 20.629 1.00 0.00 C ATOM 0 H MET A 54 70.445 -1.109 16.179 1.00 0.00 H new ATOM 0 HA MET A 54 72.830 -2.446 16.477 1.00 0.00 H new ATOM 0 HB2 MET A 54 70.938 -1.965 18.180 1.00 0.00 H new ATOM 0 HB3 MET A 54 70.144 -3.403 17.571 1.00 0.00 H new ATOM 0 HG2 MET A 54 71.738 -4.850 18.489 1.00 0.00 H new ATOM 0 HG3 MET A 54 73.051 -3.705 18.298 1.00 0.00 H new ATOM 0 HE1 MET A 54 69.608 -3.449 21.274 1.00 0.00 H new ATOM 0 HE2 MET A 54 69.699 -4.237 19.681 1.00 0.00 H new ATOM 0 HE3 MET A 54 70.376 -5.047 21.114 1.00 0.00 H new ATOM 846 N LEU A 55 70.539 -4.330 15.007 1.00 0.00 N ATOM 847 CA LEU A 55 70.358 -5.554 14.219 1.00 0.00 C ATOM 848 C LEU A 55 70.704 -5.316 12.752 1.00 0.00 C ATOM 849 O LEU A 55 70.826 -6.264 11.977 1.00 0.00 O ATOM 850 CB LEU A 55 68.911 -6.078 14.331 1.00 0.00 C ATOM 851 CG LEU A 55 68.014 -5.047 15.024 1.00 0.00 C ATOM 852 CD1 LEU A 55 66.542 -5.392 14.777 1.00 0.00 C ATOM 853 CD2 LEU A 55 68.299 -5.074 16.531 1.00 0.00 C ATOM 0 H LEU A 55 69.698 -3.763 15.111 1.00 0.00 H new ATOM 0 HA LEU A 55 71.036 -6.305 14.625 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.521 -6.298 13.337 1.00 0.00 H new ATOM 0 HB3 LEU A 55 68.900 -7.013 14.892 1.00 0.00 H new ATOM 0 HG LEU A 55 68.220 -4.054 14.624 1.00 0.00 H new ATOM 0 HD11 LEU A 55 65.908 -4.656 15.272 1.00 0.00 H new ATOM 0 HD12 LEU A 55 66.341 -5.383 13.706 1.00 0.00 H new ATOM 0 HD13 LEU A 55 66.328 -6.383 15.178 1.00 0.00 H new ATOM 0 HD21 LEU A 55 67.666 -4.343 17.034 1.00 0.00 H new ATOM 0 HD22 LEU A 55 68.088 -6.069 16.923 1.00 0.00 H new ATOM 0 HD23 LEU A 55 69.346 -4.829 16.708 1.00 0.00 H new ATOM 865 N ASP A 56 70.871 -4.054 12.377 1.00 0.00 N ATOM 866 CA ASP A 56 71.211 -3.721 11.000 1.00 0.00 C ATOM 867 C ASP A 56 72.565 -4.314 10.666 1.00 0.00 C ATOM 868 O ASP A 56 72.824 -4.703 9.531 1.00 0.00 O ATOM 869 CB ASP A 56 71.240 -2.206 10.797 1.00 0.00 C ATOM 870 CG ASP A 56 71.567 -1.882 9.343 1.00 0.00 C ATOM 871 OD1 ASP A 56 72.065 -0.796 9.096 1.00 0.00 O ATOM 872 OD2 ASP A 56 71.315 -2.726 8.498 1.00 0.00 O ATOM 0 H ASP A 56 70.778 -3.252 13.000 1.00 0.00 H new ATOM 0 HA ASP A 56 70.451 -4.136 10.338 1.00 0.00 H new ATOM 0 HB2 ASP A 56 70.275 -1.776 11.066 1.00 0.00 H new ATOM 0 HB3 ASP A 56 71.984 -1.757 11.455 1.00 0.00 H new ATOM 877 N SER A 57 73.417 -4.400 11.678 1.00 0.00 N ATOM 878 CA SER A 57 74.735 -4.979 11.497 1.00 0.00 C ATOM 879 C SER A 57 74.609 -6.496 11.449 1.00 0.00 C ATOM 880 O SER A 57 75.499 -7.187 10.956 1.00 0.00 O ATOM 881 CB SER A 57 75.654 -4.572 12.649 1.00 0.00 C ATOM 882 OG SER A 57 75.650 -3.156 12.775 1.00 0.00 O ATOM 0 H SER A 57 73.219 -4.078 12.625 1.00 0.00 H new ATOM 0 HA SER A 57 75.165 -4.614 10.564 1.00 0.00 H new ATOM 0 HB2 SER A 57 75.317 -5.032 13.578 1.00 0.00 H new ATOM 0 HB3 SER A 57 76.667 -4.929 12.465 1.00 0.00 H new ATOM 0 HG SER A 57 76.237 -2.892 13.514 1.00 0.00 H new ATOM 888 N ALA A 58 73.481 -6.998 11.963 1.00 0.00 N ATOM 889 CA ALA A 58 73.210 -8.444 11.984 1.00 0.00 C ATOM 890 C ALA A 58 74.491 -9.264 11.822 1.00 0.00 C ATOM 891 O ALA A 58 75.184 -9.547 12.796 1.00 0.00 O ATOM 892 CB ALA A 58 72.231 -8.804 10.867 1.00 0.00 C ATOM 0 H ALA A 58 72.740 -6.427 12.370 1.00 0.00 H new ATOM 0 HA ALA A 58 72.776 -8.685 12.954 1.00 0.00 H new ATOM 0 HB1 ALA A 58 72.034 -9.876 10.887 1.00 0.00 H new ATOM 0 HB2 ALA A 58 71.297 -8.261 11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 58 72.662 -8.533 9.904 1.00 0.00 H new ATOM 898 N LYS A 59 74.800 -9.632 10.581 1.00 0.00 N ATOM 899 CA LYS A 59 75.993 -10.405 10.283 1.00 0.00 C ATOM 900 C LYS A 59 75.775 -11.902 10.513 1.00 0.00 C ATOM 901 O LYS A 59 76.513 -12.536 11.266 1.00 0.00 O ATOM 902 CB LYS A 59 77.164 -9.909 11.135 1.00 0.00 C ATOM 903 CG LYS A 59 78.487 -10.143 10.387 1.00 0.00 C ATOM 904 CD LYS A 59 79.180 -8.805 10.096 1.00 0.00 C ATOM 905 CE LYS A 59 78.513 -8.125 8.896 1.00 0.00 C ATOM 906 NZ LYS A 59 77.146 -7.672 9.276 1.00 0.00 N ATOM 0 H LYS A 59 74.234 -9.403 9.764 1.00 0.00 H new ATOM 0 HA LYS A 59 76.223 -10.264 9.227 1.00 0.00 H new ATOM 0 HB2 LYS A 59 77.042 -8.848 11.355 1.00 0.00 H new ATOM 0 HB3 LYS A 59 77.178 -10.433 12.091 1.00 0.00 H new ATOM 0 HG2 LYS A 59 79.142 -10.777 10.984 1.00 0.00 H new ATOM 0 HG3 LYS A 59 78.296 -10.672 9.453 1.00 0.00 H new ATOM 0 HD2 LYS A 59 79.122 -8.157 10.971 1.00 0.00 H new ATOM 0 HD3 LYS A 59 80.238 -8.970 9.891 1.00 0.00 H new ATOM 0 HE2 LYS A 59 79.111 -7.275 8.568 1.00 0.00 H new ATOM 0 HE3 LYS A 59 78.457 -8.818 8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 76.928 -6.780 8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 76.452 -8.396 9.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 77.103 -7.524 10.304 1.00 0.00 H new ATOM 920 N GLY A 60 74.767 -12.462 9.848 1.00 0.00 N ATOM 921 CA GLY A 60 74.473 -13.886 9.977 1.00 0.00 C ATOM 922 C GLY A 60 73.512 -14.138 11.127 1.00 0.00 C ATOM 923 O GLY A 60 72.709 -15.071 11.091 1.00 0.00 O ATOM 0 H GLY A 60 74.144 -11.955 9.219 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.041 -14.258 9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 60 75.398 -14.439 10.142 1.00 0.00 H new ATOM 927 N ARG A 61 73.596 -13.293 12.144 1.00 0.00 N ATOM 928 CA ARG A 61 72.733 -13.414 13.300 1.00 0.00 C ATOM 929 C ARG A 61 71.295 -13.584 12.859 1.00 0.00 C ATOM 930 O ARG A 61 70.890 -13.055 11.830 1.00 0.00 O ATOM 931 CB ARG A 61 72.852 -12.161 14.162 1.00 0.00 C ATOM 932 CG ARG A 61 74.325 -11.895 14.451 1.00 0.00 C ATOM 933 CD ARG A 61 74.485 -10.532 15.138 1.00 0.00 C ATOM 934 NE ARG A 61 75.852 -10.026 14.983 1.00 0.00 N ATOM 935 CZ ARG A 61 76.924 -10.792 15.178 1.00 0.00 C ATOM 936 NH1 ARG A 61 78.114 -10.312 14.939 1.00 0.00 N ATOM 937 NH2 ARG A 61 76.798 -12.005 15.641 1.00 0.00 N ATOM 0 H ARG A 61 74.256 -12.516 12.188 1.00 0.00 H new ATOM 0 HA ARG A 61 73.037 -14.287 13.878 1.00 0.00 H new ATOM 0 HB2 ARG A 61 72.409 -11.308 13.649 1.00 0.00 H new ATOM 0 HB3 ARG A 61 72.303 -12.292 15.095 1.00 0.00 H new ATOM 0 HG2 ARG A 61 74.727 -12.683 15.088 1.00 0.00 H new ATOM 0 HG3 ARG A 61 74.896 -11.913 13.523 1.00 0.00 H new ATOM 0 HD2 ARG A 61 73.779 -9.820 14.711 1.00 0.00 H new ATOM 0 HD3 ARG A 61 74.245 -10.624 16.197 1.00 0.00 H new ATOM 0 HE ARG A 61 75.987 -9.051 14.716 1.00 0.00 H new ATOM 0 HH11 ARG A 61 78.220 -9.354 14.604 1.00 0.00 H new ATOM 0 HH12 ARG A 61 78.938 -10.895 15.087 1.00 0.00 H new ATOM 0 HH21 ARG A 61 75.872 -12.375 15.857 1.00 0.00 H new ATOM 0 HH22 ARG A 61 77.625 -12.584 15.787 1.00 0.00 H new ATOM 951 N GLN A 62 70.528 -14.310 13.648 1.00 0.00 N ATOM 952 CA GLN A 62 69.124 -14.526 13.334 1.00 0.00 C ATOM 953 C GLN A 62 68.277 -13.549 14.119 1.00 0.00 C ATOM 954 O GLN A 62 68.545 -13.291 15.290 1.00 0.00 O ATOM 955 CB GLN A 62 68.708 -15.957 13.683 1.00 0.00 C ATOM 956 CG GLN A 62 69.819 -16.915 13.264 1.00 0.00 C ATOM 957 CD GLN A 62 69.268 -18.331 13.132 1.00 0.00 C ATOM 958 OE1 GLN A 62 69.506 -19.000 12.126 1.00 0.00 O ATOM 959 NE2 GLN A 62 68.542 -18.831 14.094 1.00 0.00 N ATOM 0 H GLN A 62 70.848 -14.759 14.506 1.00 0.00 H new ATOM 0 HA GLN A 62 68.976 -14.370 12.265 1.00 0.00 H new ATOM 0 HB2 GLN A 62 68.520 -16.044 14.753 1.00 0.00 H new ATOM 0 HB3 GLN A 62 67.779 -16.213 13.174 1.00 0.00 H new ATOM 0 HG2 GLN A 62 70.248 -16.594 12.315 1.00 0.00 H new ATOM 0 HG3 GLN A 62 70.623 -16.896 14.000 1.00 0.00 H new ATOM 0 HE21 GLN A 62 68.346 -18.275 14.927 1.00 0.00 H new ATOM 0 HE22 GLN A 62 68.171 -19.778 14.013 1.00 0.00 H new ATOM 968 N ILE A 63 67.253 -13.013 13.478 1.00 0.00 N ATOM 969 CA ILE A 63 66.380 -12.073 14.140 1.00 0.00 C ATOM 970 C ILE A 63 65.104 -12.759 14.529 1.00 0.00 C ATOM 971 O ILE A 63 64.604 -13.625 13.820 1.00 0.00 O ATOM 972 CB ILE A 63 66.055 -10.905 13.224 1.00 0.00 C ATOM 973 CG1 ILE A 63 65.338 -9.817 14.027 1.00 0.00 C ATOM 974 CG2 ILE A 63 65.137 -11.379 12.097 1.00 0.00 C ATOM 975 CD1 ILE A 63 66.351 -8.820 14.578 1.00 0.00 C ATOM 0 H ILE A 63 67.011 -13.213 12.508 1.00 0.00 H new ATOM 0 HA ILE A 63 66.889 -11.697 15.028 1.00 0.00 H new ATOM 0 HB ILE A 63 66.978 -10.508 12.802 1.00 0.00 H new ATOM 0 HG12 ILE A 63 64.617 -9.302 13.393 1.00 0.00 H new ATOM 0 HG13 ILE A 63 64.777 -10.268 14.846 1.00 0.00 H new ATOM 0 HG21 ILE A 63 64.904 -10.541 11.440 1.00 0.00 H new ATOM 0 HG22 ILE A 63 65.637 -12.160 11.525 1.00 0.00 H new ATOM 0 HG23 ILE A 63 64.214 -11.774 12.521 1.00 0.00 H new ATOM 0 HD11 ILE A 63 65.831 -8.050 15.148 1.00 0.00 H new ATOM 0 HD12 ILE A 63 67.055 -9.339 15.228 1.00 0.00 H new ATOM 0 HD13 ILE A 63 66.892 -8.357 13.753 1.00 0.00 H new ATOM 987 N GLU A 64 64.583 -12.342 15.655 1.00 0.00 N ATOM 988 CA GLU A 64 63.347 -12.884 16.166 1.00 0.00 C ATOM 989 C GLU A 64 62.294 -11.800 16.099 1.00 0.00 C ATOM 990 O GLU A 64 62.302 -10.863 16.899 1.00 0.00 O ATOM 991 CB GLU A 64 63.550 -13.364 17.609 1.00 0.00 C ATOM 992 CG GLU A 64 62.910 -14.737 17.807 1.00 0.00 C ATOM 993 CD GLU A 64 61.391 -14.622 17.736 1.00 0.00 C ATOM 994 OE1 GLU A 64 60.844 -13.803 18.457 1.00 0.00 O ATOM 995 OE2 GLU A 64 60.796 -15.354 16.962 1.00 0.00 O ATOM 0 H GLU A 64 65.001 -11.620 16.242 1.00 0.00 H new ATOM 0 HA GLU A 64 63.026 -13.739 15.571 1.00 0.00 H new ATOM 0 HB2 GLU A 64 64.615 -13.416 17.836 1.00 0.00 H new ATOM 0 HB3 GLU A 64 63.111 -12.647 18.303 1.00 0.00 H new ATOM 0 HG2 GLU A 64 63.266 -15.427 17.042 1.00 0.00 H new ATOM 0 HG3 GLU A 64 63.207 -15.150 18.771 1.00 0.00 H new ATOM 1002 N VAL A 65 61.401 -11.909 15.128 1.00 0.00 N ATOM 1003 CA VAL A 65 60.372 -10.915 14.975 1.00 0.00 C ATOM 1004 C VAL A 65 59.194 -11.279 15.840 1.00 0.00 C ATOM 1005 O VAL A 65 58.794 -12.435 15.868 1.00 0.00 O ATOM 1006 CB VAL A 65 59.928 -10.864 13.516 1.00 0.00 C ATOM 1007 CG1 VAL A 65 59.119 -12.116 13.181 1.00 0.00 C ATOM 1008 CG2 VAL A 65 59.067 -9.625 13.306 1.00 0.00 C ATOM 0 H VAL A 65 61.374 -12.668 14.447 1.00 0.00 H new ATOM 0 HA VAL A 65 60.760 -9.941 15.273 1.00 0.00 H new ATOM 0 HB VAL A 65 60.801 -10.821 12.865 1.00 0.00 H new ATOM 0 HG11 VAL A 65 58.803 -12.077 12.138 1.00 0.00 H new ATOM 0 HG12 VAL A 65 59.735 -13.001 13.341 1.00 0.00 H new ATOM 0 HG13 VAL A 65 58.241 -12.165 13.825 1.00 0.00 H new ATOM 0 HG21 VAL A 65 58.744 -9.578 12.266 1.00 0.00 H new ATOM 0 HG22 VAL A 65 58.193 -9.675 13.956 1.00 0.00 H new ATOM 0 HG23 VAL A 65 59.647 -8.734 13.546 1.00 0.00 H new ATOM 1018 N GLU A 66 58.628 -10.307 16.536 1.00 0.00 N ATOM 1019 CA GLU A 66 57.470 -10.592 17.359 1.00 0.00 C ATOM 1020 C GLU A 66 56.512 -9.409 17.367 1.00 0.00 C ATOM 1021 O GLU A 66 56.857 -8.342 17.865 1.00 0.00 O ATOM 1022 CB GLU A 66 57.874 -10.924 18.795 1.00 0.00 C ATOM 1023 CG GLU A 66 56.616 -10.944 19.672 1.00 0.00 C ATOM 1024 CD GLU A 66 56.892 -11.699 20.968 1.00 0.00 C ATOM 1025 OE1 GLU A 66 55.939 -12.143 21.586 1.00 0.00 O ATOM 1026 OE2 GLU A 66 58.053 -11.821 21.323 1.00 0.00 O ATOM 0 H GLU A 66 58.943 -9.337 16.548 1.00 0.00 H new ATOM 0 HA GLU A 66 56.972 -11.460 16.927 1.00 0.00 H new ATOM 0 HB2 GLU A 66 58.375 -11.891 18.832 1.00 0.00 H new ATOM 0 HB3 GLU A 66 58.582 -10.184 19.168 1.00 0.00 H new ATOM 0 HG2 GLU A 66 56.303 -9.924 19.896 1.00 0.00 H new ATOM 0 HG3 GLU A 66 55.795 -11.418 19.134 1.00 0.00 H new ATOM 1033 N ALA A 67 55.301 -9.597 16.843 1.00 0.00 N ATOM 1034 CA ALA A 67 54.324 -8.513 16.838 1.00 0.00 C ATOM 1035 C ALA A 67 53.124 -8.896 17.681 1.00 0.00 C ATOM 1036 O ALA A 67 52.851 -10.080 17.875 1.00 0.00 O ATOM 1037 CB ALA A 67 53.902 -8.184 15.409 1.00 0.00 C ATOM 0 H ALA A 67 54.979 -10.470 16.425 1.00 0.00 H new ATOM 0 HA ALA A 67 54.780 -7.622 17.269 1.00 0.00 H new ATOM 0 HB1 ALA A 67 53.173 -7.374 15.422 1.00 0.00 H new ATOM 0 HB2 ALA A 67 54.775 -7.877 14.833 1.00 0.00 H new ATOM 0 HB3 ALA A 67 53.456 -9.066 14.949 1.00 0.00 H new ATOM 1043 N THR A 68 52.425 -7.898 18.215 1.00 0.00 N ATOM 1044 CA THR A 68 51.284 -8.182 19.064 1.00 0.00 C ATOM 1045 C THR A 68 50.246 -7.057 19.040 1.00 0.00 C ATOM 1046 O THR A 68 50.415 -6.025 19.690 1.00 0.00 O ATOM 1047 CB THR A 68 51.771 -8.370 20.497 1.00 0.00 C ATOM 1048 OG1 THR A 68 52.769 -9.379 20.531 1.00 0.00 O ATOM 1049 CG2 THR A 68 50.596 -8.775 21.376 1.00 0.00 C ATOM 0 H THR A 68 52.626 -6.908 18.076 1.00 0.00 H new ATOM 0 HA THR A 68 50.805 -9.085 18.685 1.00 0.00 H new ATOM 0 HB THR A 68 52.195 -7.437 20.867 1.00 0.00 H new ATOM 0 HG1 THR A 68 52.991 -9.588 21.462 1.00 0.00 H new ATOM 0 HG21 THR A 68 50.939 -8.911 22.402 1.00 0.00 H new ATOM 0 HG22 THR A 68 49.835 -7.995 21.348 1.00 0.00 H new ATOM 0 HG23 THR A 68 50.172 -9.709 21.009 1.00 0.00 H new ATOM 1057 N GLY A 69 49.163 -7.284 18.308 1.00 0.00 N ATOM 1058 CA GLY A 69 48.073 -6.316 18.215 1.00 0.00 C ATOM 1059 C GLY A 69 47.080 -6.722 17.130 1.00 0.00 C ATOM 1060 O GLY A 69 47.263 -7.721 16.444 1.00 0.00 O ATOM 0 H GLY A 69 49.014 -8.135 17.766 1.00 0.00 H new ATOM 0 HA2 GLY A 69 47.561 -6.244 19.175 1.00 0.00 H new ATOM 0 HA3 GLY A 69 48.476 -5.328 17.994 1.00 0.00 H new ATOM 1064 N PRO A 70 46.036 -5.971 16.963 1.00 0.00 N ATOM 1065 CA PRO A 70 44.997 -6.259 15.937 1.00 0.00 C ATOM 1066 C PRO A 70 45.574 -6.744 14.612 1.00 0.00 C ATOM 1067 O PRO A 70 45.108 -7.733 14.047 1.00 0.00 O ATOM 1068 CB PRO A 70 44.323 -4.907 15.763 1.00 0.00 C ATOM 1069 CG PRO A 70 44.389 -4.286 17.118 1.00 0.00 C ATOM 1070 CD PRO A 70 45.710 -4.759 17.736 1.00 0.00 C ATOM 0 HA PRO A 70 44.330 -7.064 16.247 1.00 0.00 H new ATOM 0 HB2 PRO A 70 44.839 -4.298 15.021 1.00 0.00 H new ATOM 0 HB3 PRO A 70 43.292 -5.017 15.425 1.00 0.00 H new ATOM 0 HG2 PRO A 70 44.357 -3.199 17.051 1.00 0.00 H new ATOM 0 HG3 PRO A 70 43.540 -4.593 17.729 1.00 0.00 H new ATOM 0 HD2 PRO A 70 46.490 -4.003 17.645 1.00 0.00 H new ATOM 0 HD3 PRO A 70 45.601 -4.978 18.798 1.00 0.00 H new ATOM 1078 N GLN A 71 46.564 -6.019 14.106 1.00 0.00 N ATOM 1079 CA GLN A 71 47.172 -6.366 12.815 1.00 0.00 C ATOM 1080 C GLN A 71 48.683 -6.613 12.923 1.00 0.00 C ATOM 1081 O GLN A 71 49.465 -6.099 12.127 1.00 0.00 O ATOM 1082 CB GLN A 71 46.901 -5.237 11.817 1.00 0.00 C ATOM 1083 CG GLN A 71 45.461 -5.338 11.304 1.00 0.00 C ATOM 1084 CD GLN A 71 45.023 -4.002 10.712 1.00 0.00 C ATOM 1085 OE1 GLN A 71 44.505 -3.956 9.597 1.00 0.00 O ATOM 1086 NE2 GLN A 71 45.203 -2.906 11.397 1.00 0.00 N ATOM 0 H GLN A 71 46.963 -5.196 14.558 1.00 0.00 H new ATOM 0 HA GLN A 71 46.721 -7.298 12.474 1.00 0.00 H new ATOM 0 HB2 GLN A 71 47.061 -4.270 12.294 1.00 0.00 H new ATOM 0 HB3 GLN A 71 47.600 -5.300 10.983 1.00 0.00 H new ATOM 0 HG2 GLN A 71 45.389 -6.121 10.549 1.00 0.00 H new ATOM 0 HG3 GLN A 71 44.795 -5.620 12.119 1.00 0.00 H new ATOM 0 HE21 GLN A 71 45.633 -2.947 12.321 1.00 0.00 H new ATOM 0 HE22 GLN A 71 44.914 -2.008 11.008 1.00 0.00 H new ATOM 1095 N GLU A 72 49.084 -7.410 13.901 1.00 0.00 N ATOM 1096 CA GLU A 72 50.497 -7.732 14.099 1.00 0.00 C ATOM 1097 C GLU A 72 51.027 -8.635 13.007 1.00 0.00 C ATOM 1098 O GLU A 72 52.206 -8.582 12.670 1.00 0.00 O ATOM 1099 CB GLU A 72 50.670 -8.433 15.455 1.00 0.00 C ATOM 1100 CG GLU A 72 49.402 -9.219 15.780 1.00 0.00 C ATOM 1101 CD GLU A 72 49.701 -10.340 16.768 1.00 0.00 C ATOM 1102 OE1 GLU A 72 50.865 -10.615 16.984 1.00 0.00 O ATOM 1103 OE2 GLU A 72 48.757 -10.904 17.296 1.00 0.00 O ATOM 0 H GLU A 72 48.454 -7.848 14.573 1.00 0.00 H new ATOM 0 HA GLU A 72 51.060 -6.799 14.070 1.00 0.00 H new ATOM 0 HB2 GLU A 72 51.529 -9.103 15.424 1.00 0.00 H new ATOM 0 HB3 GLU A 72 50.866 -7.698 16.235 1.00 0.00 H new ATOM 0 HG2 GLU A 72 48.651 -8.550 16.199 1.00 0.00 H new ATOM 0 HG3 GLU A 72 48.982 -9.637 14.865 1.00 0.00 H new ATOM 1110 N GLU A 73 50.171 -9.472 12.473 1.00 0.00 N ATOM 1111 CA GLU A 73 50.601 -10.392 11.441 1.00 0.00 C ATOM 1112 C GLU A 73 51.086 -9.653 10.208 1.00 0.00 C ATOM 1113 O GLU A 73 52.245 -9.771 9.834 1.00 0.00 O ATOM 1114 CB GLU A 73 49.456 -11.338 11.068 1.00 0.00 C ATOM 1115 CG GLU A 73 49.203 -12.324 12.221 1.00 0.00 C ATOM 1116 CD GLU A 73 49.368 -13.762 11.735 1.00 0.00 C ATOM 1117 OE1 GLU A 73 48.474 -14.556 11.980 1.00 0.00 O ATOM 1118 OE2 GLU A 73 50.386 -14.047 11.126 1.00 0.00 O ATOM 0 H GLU A 73 49.186 -9.538 12.729 1.00 0.00 H new ATOM 0 HA GLU A 73 51.435 -10.972 11.836 1.00 0.00 H new ATOM 0 HB2 GLU A 73 48.552 -10.766 10.861 1.00 0.00 H new ATOM 0 HB3 GLU A 73 49.704 -11.884 10.158 1.00 0.00 H new ATOM 0 HG2 GLU A 73 49.899 -12.127 13.037 1.00 0.00 H new ATOM 0 HG3 GLU A 73 48.198 -12.180 12.618 1.00 0.00 H new ATOM 1125 N GLU A 74 50.209 -8.887 9.583 1.00 0.00 N ATOM 1126 CA GLU A 74 50.596 -8.153 8.386 1.00 0.00 C ATOM 1127 C GLU A 74 51.834 -7.306 8.663 1.00 0.00 C ATOM 1128 O GLU A 74 52.720 -7.182 7.820 1.00 0.00 O ATOM 1129 CB GLU A 74 49.439 -7.271 7.914 1.00 0.00 C ATOM 1130 CG GLU A 74 48.615 -6.813 9.118 1.00 0.00 C ATOM 1131 CD GLU A 74 47.578 -7.871 9.482 1.00 0.00 C ATOM 1132 OE1 GLU A 74 46.725 -8.146 8.653 1.00 0.00 O ATOM 1133 OE2 GLU A 74 47.651 -8.391 10.584 1.00 0.00 O ATOM 0 H GLU A 74 49.241 -8.756 9.876 1.00 0.00 H new ATOM 0 HA GLU A 74 50.835 -8.866 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 74 49.825 -6.406 7.375 1.00 0.00 H new ATOM 0 HB3 GLU A 74 48.808 -7.824 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 74 49.272 -6.630 9.968 1.00 0.00 H new ATOM 0 HG3 GLU A 74 48.118 -5.870 8.890 1.00 0.00 H new ATOM 1140 N ALA A 75 51.878 -6.732 9.855 1.00 0.00 N ATOM 1141 CA ALA A 75 53.002 -5.890 10.267 1.00 0.00 C ATOM 1142 C ALA A 75 54.295 -6.688 10.326 1.00 0.00 C ATOM 1143 O ALA A 75 55.263 -6.362 9.648 1.00 0.00 O ATOM 1144 CB ALA A 75 52.701 -5.277 11.650 1.00 0.00 C ATOM 0 H ALA A 75 51.148 -6.831 10.560 1.00 0.00 H new ATOM 0 HA ALA A 75 53.129 -5.098 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 75 53.537 -4.649 11.959 1.00 0.00 H new ATOM 0 HB2 ALA A 75 51.796 -4.673 11.591 1.00 0.00 H new ATOM 0 HB3 ALA A 75 52.558 -6.075 12.378 1.00 0.00 H new ATOM 1150 N LEU A 76 54.289 -7.731 11.131 1.00 0.00 N ATOM 1151 CA LEU A 76 55.449 -8.597 11.296 1.00 0.00 C ATOM 1152 C LEU A 76 55.632 -9.452 10.051 1.00 0.00 C ATOM 1153 O LEU A 76 56.744 -9.847 9.705 1.00 0.00 O ATOM 1154 CB LEU A 76 55.183 -9.451 12.540 1.00 0.00 C ATOM 1155 CG LEU A 76 55.810 -10.847 12.456 1.00 0.00 C ATOM 1156 CD1 LEU A 76 55.758 -11.465 13.858 1.00 0.00 C ATOM 1157 CD2 LEU A 76 55.019 -11.739 11.480 1.00 0.00 C ATOM 0 H LEU A 76 53.482 -8.006 11.691 1.00 0.00 H new ATOM 0 HA LEU A 76 56.370 -8.028 11.426 1.00 0.00 H new ATOM 0 HB2 LEU A 76 55.574 -8.936 13.417 1.00 0.00 H new ATOM 0 HB3 LEU A 76 54.107 -9.550 12.682 1.00 0.00 H new ATOM 0 HG LEU A 76 56.836 -10.771 12.096 1.00 0.00 H new ATOM 0 HD11 LEU A 76 56.198 -12.462 13.833 1.00 0.00 H new ATOM 0 HD12 LEU A 76 56.318 -10.839 14.553 1.00 0.00 H new ATOM 0 HD13 LEU A 76 54.721 -11.534 14.187 1.00 0.00 H new ATOM 0 HD21 LEU A 76 55.480 -12.726 11.434 1.00 0.00 H new ATOM 0 HD22 LEU A 76 53.990 -11.835 11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 76 55.027 -11.288 10.488 1.00 0.00 H new ATOM 1169 N ALA A 77 54.524 -9.716 9.380 1.00 0.00 N ATOM 1170 CA ALA A 77 54.537 -10.511 8.160 1.00 0.00 C ATOM 1171 C ALA A 77 54.959 -9.651 6.973 1.00 0.00 C ATOM 1172 O ALA A 77 55.406 -10.166 5.948 1.00 0.00 O ATOM 1173 CB ALA A 77 53.138 -11.066 7.903 1.00 0.00 C ATOM 0 H ALA A 77 53.599 -9.390 9.660 1.00 0.00 H new ATOM 0 HA ALA A 77 55.248 -11.329 8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 77 53.145 -11.662 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 77 52.835 -11.692 8.742 1.00 0.00 H new ATOM 0 HB3 ALA A 77 52.434 -10.241 7.793 1.00 0.00 H new ATOM 1179 N ALA A 78 54.819 -8.336 7.123 1.00 0.00 N ATOM 1180 CA ALA A 78 55.196 -7.414 6.058 1.00 0.00 C ATOM 1181 C ALA A 78 56.704 -7.227 6.072 1.00 0.00 C ATOM 1182 O ALA A 78 57.347 -7.129 5.023 1.00 0.00 O ATOM 1183 CB ALA A 78 54.494 -6.063 6.248 1.00 0.00 C ATOM 0 H ALA A 78 54.451 -7.890 7.963 1.00 0.00 H new ATOM 0 HA ALA A 78 54.889 -7.827 5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 78 54.785 -5.385 5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 78 53.414 -6.208 6.226 1.00 0.00 H new ATOM 0 HB3 ALA A 78 54.783 -5.634 7.208 1.00 0.00 H new ATOM 1189 N VAL A 79 57.266 -7.218 7.273 1.00 0.00 N ATOM 1190 CA VAL A 79 58.701 -7.083 7.425 1.00 0.00 C ATOM 1191 C VAL A 79 59.355 -8.334 6.883 1.00 0.00 C ATOM 1192 O VAL A 79 60.315 -8.279 6.125 1.00 0.00 O ATOM 1193 CB VAL A 79 59.058 -6.924 8.911 1.00 0.00 C ATOM 1194 CG1 VAL A 79 57.805 -6.584 9.702 1.00 0.00 C ATOM 1195 CG2 VAL A 79 59.641 -8.230 9.447 1.00 0.00 C ATOM 0 H VAL A 79 56.750 -7.302 8.149 1.00 0.00 H new ATOM 0 HA VAL A 79 59.051 -6.204 6.883 1.00 0.00 H new ATOM 0 HB VAL A 79 59.792 -6.125 9.015 1.00 0.00 H new ATOM 0 HG11 VAL A 79 58.059 -6.471 10.756 1.00 0.00 H new ATOM 0 HG12 VAL A 79 57.381 -5.651 9.329 1.00 0.00 H new ATOM 0 HG13 VAL A 79 57.075 -7.385 9.589 1.00 0.00 H new ATOM 0 HG21 VAL A 79 59.892 -8.111 10.501 1.00 0.00 H new ATOM 0 HG22 VAL A 79 58.907 -9.028 9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 79 60.540 -8.484 8.886 1.00 0.00 H new ATOM 1205 N ILE A 80 58.809 -9.463 7.305 1.00 0.00 N ATOM 1206 CA ILE A 80 59.303 -10.754 6.903 1.00 0.00 C ATOM 1207 C ILE A 80 59.480 -10.788 5.422 1.00 0.00 C ATOM 1208 O ILE A 80 60.586 -10.954 4.928 1.00 0.00 O ATOM 1209 CB ILE A 80 58.320 -11.803 7.381 1.00 0.00 C ATOM 1210 CG1 ILE A 80 58.550 -11.962 8.888 1.00 0.00 C ATOM 1211 CG2 ILE A 80 58.531 -13.126 6.632 1.00 0.00 C ATOM 1212 CD1 ILE A 80 59.295 -13.259 9.184 1.00 0.00 C ATOM 0 H ILE A 80 58.009 -9.502 7.937 1.00 0.00 H new ATOM 0 HA ILE A 80 60.278 -10.957 7.347 1.00 0.00 H new ATOM 0 HB ILE A 80 57.291 -11.503 7.184 1.00 0.00 H new ATOM 0 HG12 ILE A 80 59.121 -11.114 9.265 1.00 0.00 H new ATOM 0 HG13 ILE A 80 57.593 -11.959 9.410 1.00 0.00 H new ATOM 0 HG21 ILE A 80 57.815 -13.865 6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 80 58.384 -12.967 5.564 1.00 0.00 H new ATOM 0 HG23 ILE A 80 59.544 -13.487 6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 80 59.448 -13.353 10.259 1.00 0.00 H new ATOM 0 HD12 ILE A 80 58.709 -14.105 8.826 1.00 0.00 H new ATOM 0 HD13 ILE A 80 60.261 -13.247 8.679 1.00 0.00 H new ATOM 1224 N ALA A 81 58.407 -10.575 4.706 1.00 0.00 N ATOM 1225 CA ALA A 81 58.526 -10.540 3.274 1.00 0.00 C ATOM 1226 C ALA A 81 59.703 -9.657 2.938 1.00 0.00 C ATOM 1227 O ALA A 81 60.327 -9.800 1.886 1.00 0.00 O ATOM 1228 CB ALA A 81 57.274 -9.968 2.646 1.00 0.00 C ATOM 0 H ALA A 81 57.468 -10.427 5.077 1.00 0.00 H new ATOM 0 HA ALA A 81 58.666 -11.550 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 81 57.386 -9.951 1.562 1.00 0.00 H new ATOM 0 HB2 ALA A 81 56.418 -10.587 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 81 57.115 -8.953 3.010 1.00 0.00 H new ATOM 1234 N LEU A 82 60.027 -8.756 3.869 1.00 0.00 N ATOM 1235 CA LEU A 82 61.159 -7.886 3.674 1.00 0.00 C ATOM 1236 C LEU A 82 62.383 -8.526 4.300 1.00 0.00 C ATOM 1237 O LEU A 82 63.461 -8.545 3.706 1.00 0.00 O ATOM 1238 CB LEU A 82 60.881 -6.510 4.281 1.00 0.00 C ATOM 1239 CG LEU A 82 61.414 -5.429 3.338 1.00 0.00 C ATOM 1240 CD1 LEU A 82 62.917 -5.651 3.116 1.00 0.00 C ATOM 1241 CD2 LEU A 82 60.669 -5.505 1.993 1.00 0.00 C ATOM 0 H LEU A 82 59.524 -8.621 4.746 1.00 0.00 H new ATOM 0 HA LEU A 82 61.340 -7.744 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 82 59.810 -6.378 4.438 1.00 0.00 H new ATOM 0 HB3 LEU A 82 61.359 -6.426 5.257 1.00 0.00 H new ATOM 0 HG LEU A 82 61.254 -4.445 3.778 1.00 0.00 H new ATOM 0 HD11 LEU A 82 63.303 -4.884 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 82 63.438 -5.593 4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 82 63.078 -6.634 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 82 61.049 -4.735 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.826 -6.486 1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.603 -5.348 2.158 1.00 0.00 H new ATOM 1253 N PHE A 83 62.201 -9.083 5.494 1.00 0.00 N ATOM 1254 CA PHE A 83 63.293 -9.751 6.164 1.00 0.00 C ATOM 1255 C PHE A 83 63.679 -10.960 5.340 1.00 0.00 C ATOM 1256 O PHE A 83 64.849 -11.328 5.240 1.00 0.00 O ATOM 1257 CB PHE A 83 62.906 -10.161 7.577 1.00 0.00 C ATOM 1258 CG PHE A 83 62.999 -8.981 8.518 1.00 0.00 C ATOM 1259 CD1 PHE A 83 62.863 -7.664 8.046 1.00 0.00 C ATOM 1260 CD2 PHE A 83 63.229 -9.212 9.876 1.00 0.00 C ATOM 1261 CE1 PHE A 83 62.953 -6.594 8.939 1.00 0.00 C ATOM 1262 CE2 PHE A 83 63.321 -8.142 10.764 1.00 0.00 C ATOM 1263 CZ PHE A 83 63.182 -6.833 10.298 1.00 0.00 C ATOM 0 H PHE A 83 61.318 -9.082 6.005 1.00 0.00 H new ATOM 0 HA PHE A 83 64.140 -9.071 6.253 1.00 0.00 H new ATOM 0 HB2 PHE A 83 61.891 -10.557 7.581 1.00 0.00 H new ATOM 0 HB3 PHE A 83 63.562 -10.961 7.922 1.00 0.00 H new ATOM 0 HD1 PHE A 83 62.689 -7.480 6.996 1.00 0.00 H new ATOM 0 HD2 PHE A 83 63.336 -10.223 10.239 1.00 0.00 H new ATOM 0 HE1 PHE A 83 62.846 -5.581 8.580 1.00 0.00 H new ATOM 0 HE2 PHE A 83 63.500 -8.325 11.813 1.00 0.00 H new ATOM 0 HZ PHE A 83 63.251 -6.005 10.987 1.00 0.00 H new ATOM 1273 N ASN A 84 62.668 -11.537 4.710 1.00 0.00 N ATOM 1274 CA ASN A 84 62.854 -12.670 3.834 1.00 0.00 C ATOM 1275 C ASN A 84 63.274 -12.137 2.489 1.00 0.00 C ATOM 1276 O ASN A 84 63.776 -12.852 1.622 1.00 0.00 O ATOM 1277 CB ASN A 84 61.533 -13.427 3.705 1.00 0.00 C ATOM 1278 CG ASN A 84 61.766 -14.933 3.760 1.00 0.00 C ATOM 1279 OD1 ASN A 84 62.576 -15.467 3.002 1.00 0.00 O ATOM 1280 ND2 ASN A 84 61.097 -15.654 4.619 1.00 0.00 N ATOM 0 H ASN A 84 61.699 -11.230 4.795 1.00 0.00 H new ATOM 0 HA ASN A 84 63.610 -13.350 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 84 60.858 -13.129 4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 84 61.048 -13.163 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 84 61.245 -16.662 4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 84 60.427 -15.209 5.246 1.00 0.00 H new ATOM 1287 N SER A 85 63.046 -10.852 2.358 1.00 0.00 N ATOM 1288 CA SER A 85 63.376 -10.129 1.135 1.00 0.00 C ATOM 1289 C SER A 85 62.521 -10.623 -0.028 1.00 0.00 C ATOM 1290 O SER A 85 61.595 -11.377 0.222 1.00 0.00 O ATOM 1291 CB SER A 85 64.856 -10.318 0.799 1.00 0.00 C ATOM 1292 OG SER A 85 65.024 -11.540 0.093 1.00 0.00 O ATOM 1293 OXT SER A 85 62.805 -10.241 -1.151 1.00 0.00 O ATOM 0 H SER A 85 62.629 -10.273 3.087 1.00 0.00 H new ATOM 0 HA SER A 85 63.173 -9.070 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.213 -9.484 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 85 65.450 -10.328 1.713 1.00 0.00 H new ATOM 0 HG SER A 85 64.889 -12.293 0.706 1.00 0.00 H new