USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 726 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 Single : A 1 LEU N :NH3+ 156:sc=-0.00285 (180deg=-0.0817) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -125:sc= -0.0503! USER MOD Single : A 9 SER OG : rot -36:sc= 1.47! USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.0176 (180deg=-0.23) USER MOD Single : A 13 LYS NZ :NH3+ -148:sc= -0.53 (180deg=-2.55!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 25:sc= 0.771 USER MOD Single : A 20 HIS : no HD1:sc= -14.8! C(o=-15!,f=-18!) USER MOD Single : A 21 ASN : amide:sc= 0.112 K(o=0.11,f=-0.92) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 70:sc= 1 USER MOD Single : A 41 SER OG : rot -76:sc= 0.42! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.052 USER MOD Single : A 57 THR OG1 : rot 3:sc= -3.83! USER MOD Single : A 58 THR OG1 : rot 171:sc= -6.03! USER MOD Single : A 59 SER OG : rot 180:sc= -0.325 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot -102:sc= 1.1 USER MOD Single : A 72 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.36) USER MOD Single : A 73 TYR OH : rot 109:sc= -1.24 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -6.57! C(o=-6.6!,f=-10!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 21.452 1.507 1.562 1.00 0.00 N ATOM 2 CA LEU A 1 20.063 2.013 1.750 1.00 0.00 C ATOM 3 C LEU A 1 19.071 1.021 1.139 1.00 0.00 C ATOM 4 O LEU A 1 18.611 1.193 0.028 1.00 0.00 O ATOM 5 CB LEU A 1 19.917 3.372 1.062 1.00 0.00 C ATOM 6 CG LEU A 1 19.887 4.477 2.118 1.00 0.00 C ATOM 7 CD1 LEU A 1 18.706 4.249 3.064 1.00 0.00 C ATOM 8 CD2 LEU A 1 21.192 4.452 2.917 1.00 0.00 C ATOM 0 H1 LEU A 1 22.119 2.305 1.589 1.00 0.00 H new ATOM 0 H2 LEU A 1 21.683 0.837 2.323 1.00 0.00 H new ATOM 0 H3 LEU A 1 21.525 1.026 0.643 1.00 0.00 H new ATOM 0 HA LEU A 1 19.857 2.122 2.815 1.00 0.00 H new ATOM 0 HB2 LEU A 1 20.747 3.534 0.374 1.00 0.00 H new ATOM 0 HB3 LEU A 1 19.002 3.395 0.470 1.00 0.00 H new ATOM 0 HG LEU A 1 19.777 5.445 1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 1 18.685 5.037 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 1 17.776 4.265 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 1 18.814 3.282 3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 1 21.172 5.239 3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 1 21.301 3.484 3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 1 22.034 4.615 2.244 1.00 0.00 H new ATOM 22 N LYS A 2 18.743 -0.018 1.856 1.00 0.00 N ATOM 23 CA LYS A 2 17.786 -1.025 1.319 1.00 0.00 C ATOM 24 C LYS A 2 16.779 -1.401 2.409 1.00 0.00 C ATOM 25 O LYS A 2 17.140 -1.549 3.559 1.00 0.00 O ATOM 26 CB LYS A 2 18.562 -2.270 0.884 1.00 0.00 C ATOM 27 CG LYS A 2 19.039 -3.037 2.120 1.00 0.00 C ATOM 28 CD LYS A 2 20.485 -3.494 1.912 1.00 0.00 C ATOM 29 CE LYS A 2 20.712 -4.823 2.634 1.00 0.00 C ATOM 30 NZ LYS A 2 21.688 -4.626 3.743 1.00 0.00 N ATOM 0 H LYS A 2 19.097 -0.213 2.792 1.00 0.00 H new ATOM 0 HA LYS A 2 17.253 -0.609 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.928 -2.909 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.416 -1.983 0.270 1.00 0.00 H new ATOM 0 HG2 LYS A 2 18.971 -2.402 3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 2 18.396 -3.899 2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.692 -3.607 0.848 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.174 -2.740 2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.769 -5.201 3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.087 -5.570 1.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.842 -5.530 4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 22.590 -4.284 3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 21.313 -3.926 4.415 1.00 0.00 H new ATOM 44 N PRO A 3 15.543 -1.548 2.009 1.00 0.00 N ATOM 45 CA PRO A 3 14.483 -0.574 2.322 1.00 0.00 C ATOM 46 C PRO A 3 14.042 -0.726 3.779 1.00 0.00 C ATOM 47 O PRO A 3 14.005 -1.815 4.315 1.00 0.00 O ATOM 48 CB PRO A 3 13.354 -0.949 1.358 1.00 0.00 C ATOM 49 CG PRO A 3 13.597 -2.421 0.953 1.00 0.00 C ATOM 50 CD PRO A 3 15.088 -2.708 1.217 1.00 0.00 C ATOM 0 HA PRO A 3 14.799 0.463 2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.381 -0.833 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.359 -0.299 0.483 1.00 0.00 H new ATOM 0 HG2 PRO A 3 12.964 -3.092 1.533 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.352 -2.580 -0.097 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.224 -3.642 1.763 1.00 0.00 H new ATOM 0 HD3 PRO A 3 15.647 -2.799 0.286 1.00 0.00 H new ATOM 58 N LYS A 4 13.715 0.357 4.428 1.00 0.00 N ATOM 59 CA LYS A 4 13.287 0.265 5.851 1.00 0.00 C ATOM 60 C LYS A 4 11.795 0.576 5.962 1.00 0.00 C ATOM 61 O LYS A 4 11.409 1.641 6.398 1.00 0.00 O ATOM 62 CB LYS A 4 14.078 1.274 6.686 1.00 0.00 C ATOM 63 CG LYS A 4 14.979 0.528 7.673 1.00 0.00 C ATOM 64 CD LYS A 4 16.407 1.067 7.569 1.00 0.00 C ATOM 65 CE LYS A 4 17.333 0.237 8.461 1.00 0.00 C ATOM 66 NZ LYS A 4 18.729 0.326 7.947 1.00 0.00 N ATOM 0 H LYS A 4 13.726 1.299 4.036 1.00 0.00 H new ATOM 0 HA LYS A 4 13.475 -0.744 6.219 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.681 1.907 6.035 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.395 1.930 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 4 14.605 0.653 8.689 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.966 -0.540 7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.748 1.026 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.435 2.114 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 4 17.288 0.600 9.488 1.00 0.00 H new ATOM 0 HE3 LYS A 4 17.005 -0.802 8.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.359 -0.238 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.765 -0.040 6.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.039 1.319 7.955 1.00 0.00 H new ATOM 80 N ILE A 5 10.954 -0.348 5.576 1.00 0.00 N ATOM 81 CA ILE A 5 9.485 -0.107 5.665 1.00 0.00 C ATOM 82 C ILE A 5 9.028 -0.306 7.115 1.00 0.00 C ATOM 83 O ILE A 5 9.165 -1.375 7.676 1.00 0.00 O ATOM 84 CB ILE A 5 8.750 -1.078 4.728 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.378 -0.498 4.376 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.569 -2.439 5.406 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.197 -0.496 2.858 1.00 0.00 C ATOM 0 H ILE A 5 11.222 -1.259 5.203 1.00 0.00 H new ATOM 0 HA ILE A 5 9.254 0.914 5.360 1.00 0.00 H new ATOM 0 HB ILE A 5 9.341 -1.212 3.822 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.591 -1.088 4.846 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.290 0.517 4.764 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.047 -3.116 4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.546 -2.855 5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.986 -2.316 6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.220 -0.083 2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.976 0.113 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.266 -1.517 2.482 1.00 0.00 H new ATOM 99 N LEU A 6 8.502 0.720 7.730 1.00 0.00 N ATOM 100 CA LEU A 6 8.056 0.590 9.146 1.00 0.00 C ATOM 101 C LEU A 6 6.536 0.754 9.246 1.00 0.00 C ATOM 102 O LEU A 6 5.966 0.582 10.305 1.00 0.00 O ATOM 103 CB LEU A 6 8.737 1.668 9.994 1.00 0.00 C ATOM 104 CG LEU A 6 9.622 1.004 11.050 1.00 0.00 C ATOM 105 CD1 LEU A 6 11.087 1.090 10.618 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.444 1.725 12.389 1.00 0.00 C ATOM 0 H LEU A 6 8.363 1.640 7.313 1.00 0.00 H new ATOM 0 HA LEU A 6 8.329 -0.400 9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.337 2.320 9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.986 2.295 10.475 1.00 0.00 H new ATOM 0 HG LEU A 6 9.336 -0.042 11.157 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.717 0.617 11.371 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.216 0.579 9.664 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.374 2.136 10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.074 1.253 13.143 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.730 2.771 12.280 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.401 1.665 12.699 1.00 0.00 H new ATOM 118 N THR A 7 5.880 1.092 8.161 1.00 0.00 N ATOM 119 CA THR A 7 4.392 1.271 8.199 1.00 0.00 C ATOM 120 C THR A 7 3.765 0.264 9.171 1.00 0.00 C ATOM 121 O THR A 7 4.103 -0.903 9.176 1.00 0.00 O ATOM 122 CB THR A 7 3.809 1.052 6.800 1.00 0.00 C ATOM 123 OG1 THR A 7 2.440 0.689 6.913 1.00 0.00 O ATOM 124 CG2 THR A 7 4.575 -0.064 6.089 1.00 0.00 C ATOM 0 H THR A 7 6.310 1.252 7.250 1.00 0.00 H new ATOM 0 HA THR A 7 4.168 2.283 8.535 1.00 0.00 H new ATOM 0 HB THR A 7 3.898 1.972 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 7 2.285 -0.154 6.438 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.156 -0.216 5.094 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.625 0.214 6.002 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.490 -0.987 6.663 1.00 0.00 H new ATOM 132 N ALA A 8 2.863 0.714 10.002 1.00 0.00 N ATOM 133 CA ALA A 8 2.221 -0.204 10.988 1.00 0.00 C ATOM 134 C ALA A 8 1.674 -1.440 10.281 1.00 0.00 C ATOM 135 O ALA A 8 1.802 -2.551 10.756 1.00 0.00 O ATOM 136 CB ALA A 8 1.078 0.527 11.695 1.00 0.00 C ATOM 0 H ALA A 8 2.542 1.681 10.041 1.00 0.00 H new ATOM 0 HA ALA A 8 2.967 -0.516 11.719 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.608 -0.143 12.415 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.471 1.401 12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.339 0.844 10.959 1.00 0.00 H new ATOM 142 N SER A 9 1.067 -1.251 9.155 1.00 0.00 N ATOM 143 CA SER A 9 0.501 -2.408 8.403 1.00 0.00 C ATOM 144 C SER A 9 -0.553 -3.112 9.258 1.00 0.00 C ATOM 145 O SER A 9 -0.313 -3.466 10.395 1.00 0.00 O ATOM 146 CB SER A 9 1.622 -3.388 8.061 1.00 0.00 C ATOM 147 OG SER A 9 1.646 -4.431 9.028 1.00 0.00 O ATOM 0 H SER A 9 0.933 -0.341 8.713 1.00 0.00 H new ATOM 0 HA SER A 9 0.037 -2.051 7.484 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.466 -3.803 7.065 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.581 -2.870 8.044 1.00 0.00 H new ATOM 0 HG SER A 9 1.423 -4.065 9.909 1.00 0.00 H new ATOM 153 N ARG A 10 -1.722 -3.317 8.716 1.00 0.00 N ATOM 154 CA ARG A 10 -2.796 -3.996 9.490 1.00 0.00 C ATOM 155 C ARG A 10 -4.049 -4.112 8.627 1.00 0.00 C ATOM 156 O ARG A 10 -4.260 -5.092 7.940 1.00 0.00 O ATOM 157 CB ARG A 10 -3.111 -3.178 10.744 1.00 0.00 C ATOM 158 CG ARG A 10 -2.432 -3.820 11.956 1.00 0.00 C ATOM 159 CD ARG A 10 -3.325 -3.657 13.187 1.00 0.00 C ATOM 160 NE ARG A 10 -3.756 -4.999 13.669 1.00 0.00 N ATOM 161 CZ ARG A 10 -4.763 -5.102 14.493 1.00 0.00 C ATOM 162 NH1 ARG A 10 -5.029 -4.131 15.322 1.00 0.00 N ATOM 163 NH2 ARG A 10 -5.504 -6.176 14.487 1.00 0.00 N ATOM 0 H ARG A 10 -1.979 -3.042 7.768 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.464 -4.993 9.780 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.763 -2.153 10.619 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.189 -3.132 10.900 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.247 -4.877 11.765 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.463 -3.354 12.132 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.784 -3.132 13.975 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.196 -3.050 12.940 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.265 -5.836 13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.450 -3.291 15.326 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.816 -4.211 15.966 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.296 -6.935 13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.291 -6.256 15.131 1.00 0.00 H new ATOM 177 N LYS A 11 -4.879 -3.117 8.661 1.00 0.00 N ATOM 178 CA LYS A 11 -6.127 -3.154 7.847 1.00 0.00 C ATOM 179 C LYS A 11 -6.516 -1.736 7.426 1.00 0.00 C ATOM 180 O LYS A 11 -5.767 -0.795 7.598 1.00 0.00 O ATOM 181 CB LYS A 11 -7.262 -3.766 8.672 1.00 0.00 C ATOM 182 CG LYS A 11 -7.257 -3.158 10.076 1.00 0.00 C ATOM 183 CD LYS A 11 -8.619 -3.383 10.735 1.00 0.00 C ATOM 184 CE LYS A 11 -8.603 -4.706 11.502 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.105 -5.798 10.619 1.00 0.00 N ATOM 0 H LYS A 11 -4.751 -2.273 9.219 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.953 -3.760 6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.220 -3.580 8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.140 -4.848 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.470 -3.613 10.678 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -7.040 -2.091 10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.847 -2.560 11.413 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.403 -3.399 9.978 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.591 -4.932 11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.225 -4.629 12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.415 -6.601 11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.907 -5.449 10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.344 -6.107 9.981 1.00 0.00 H new ATOM 199 N ILE A 12 -7.688 -1.583 6.874 1.00 0.00 N ATOM 200 CA ILE A 12 -8.148 -0.238 6.431 1.00 0.00 C ATOM 201 C ILE A 12 -9.677 -0.242 6.366 1.00 0.00 C ATOM 202 O ILE A 12 -10.265 -0.653 5.386 1.00 0.00 O ATOM 203 CB ILE A 12 -7.573 0.061 5.044 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.085 0.398 5.169 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.309 1.248 4.425 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.908 1.573 6.132 1.00 0.00 C ATOM 0 H ILE A 12 -8.352 -2.340 6.710 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.810 0.526 7.131 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.698 -0.815 4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.534 -0.470 5.532 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.675 0.650 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.897 1.457 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.369 1.011 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.187 2.124 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.849 1.814 6.222 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.446 2.441 5.750 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.303 1.303 7.112 1.00 0.00 H new ATOM 218 N LYS A 13 -10.325 0.197 7.410 1.00 0.00 N ATOM 219 CA LYS A 13 -11.815 0.201 7.414 1.00 0.00 C ATOM 220 C LYS A 13 -12.345 1.363 6.571 1.00 0.00 C ATOM 221 O LYS A 13 -12.494 2.471 7.048 1.00 0.00 O ATOM 222 CB LYS A 13 -12.316 0.351 8.852 1.00 0.00 C ATOM 223 CG LYS A 13 -11.571 -0.629 9.760 1.00 0.00 C ATOM 224 CD LYS A 13 -11.904 -0.325 11.222 1.00 0.00 C ATOM 225 CE LYS A 13 -12.116 -1.635 11.982 1.00 0.00 C ATOM 226 NZ LYS A 13 -13.020 -2.524 11.199 1.00 0.00 N ATOM 0 H LYS A 13 -9.887 0.553 8.260 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.173 -0.737 6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.160 1.373 9.197 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.388 0.160 8.896 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.854 -1.653 9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.496 -0.548 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.095 0.246 11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.801 0.291 11.281 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.159 -2.129 12.150 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -12.547 -1.433 12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.586 -3.105 11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.654 -1.945 10.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.452 -3.144 10.587 1.00 0.00 H new ATOM 240 N ILE A 14 -12.653 1.115 5.326 1.00 0.00 N ATOM 241 CA ILE A 14 -13.197 2.203 4.465 1.00 0.00 C ATOM 242 C ILE A 14 -14.694 1.950 4.259 1.00 0.00 C ATOM 243 O ILE A 14 -15.166 0.840 4.397 1.00 0.00 O ATOM 244 CB ILE A 14 -12.473 2.204 3.111 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.998 1.840 3.322 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.578 3.591 2.471 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.209 2.048 2.023 1.00 0.00 C ATOM 0 H ILE A 14 -12.552 0.208 4.870 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.045 3.172 4.940 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.936 1.471 2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.574 2.455 4.116 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.915 0.802 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.063 3.588 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.628 3.843 2.320 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.118 4.330 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.164 1.786 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.624 1.414 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.278 3.092 1.719 1.00 0.00 H new ATOM 259 N LYS A 15 -15.452 2.960 3.936 1.00 0.00 N ATOM 260 CA LYS A 15 -16.913 2.745 3.729 1.00 0.00 C ATOM 261 C LYS A 15 -17.202 2.734 2.226 1.00 0.00 C ATOM 262 O LYS A 15 -16.399 3.179 1.431 1.00 0.00 O ATOM 263 CB LYS A 15 -17.705 3.869 4.407 1.00 0.00 C ATOM 264 CG LYS A 15 -19.164 3.440 4.577 1.00 0.00 C ATOM 265 CD LYS A 15 -19.541 3.486 6.059 1.00 0.00 C ATOM 266 CE LYS A 15 -19.999 4.899 6.426 1.00 0.00 C ATOM 267 NZ LYS A 15 -21.244 4.821 7.242 1.00 0.00 N ATOM 0 H LYS A 15 -15.128 3.918 3.807 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.213 1.793 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.268 4.100 5.378 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.650 4.778 3.808 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.817 4.099 4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.306 2.432 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.336 2.770 6.265 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.686 3.199 6.672 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -19.217 5.413 6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.180 5.481 5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -21.556 5.781 7.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.989 4.346 6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.056 4.281 8.111 1.00 0.00 H new ATOM 281 N ALA A 16 -18.332 2.220 1.824 1.00 0.00 N ATOM 282 CA ALA A 16 -18.644 2.180 0.368 1.00 0.00 C ATOM 283 C ALA A 16 -18.874 3.602 -0.149 1.00 0.00 C ATOM 284 O ALA A 16 -19.398 4.445 0.547 1.00 0.00 O ATOM 285 CB ALA A 16 -19.901 1.345 0.131 1.00 0.00 C ATOM 0 H ALA A 16 -19.048 1.829 2.436 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.805 1.731 -0.164 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.125 1.319 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.737 0.330 0.492 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.740 1.790 0.667 1.00 0.00 H new ATOM 291 N GLY A 17 -18.489 3.868 -1.368 1.00 0.00 N ATOM 292 CA GLY A 17 -18.679 5.233 -1.940 1.00 0.00 C ATOM 293 C GLY A 17 -17.960 6.261 -1.064 1.00 0.00 C ATOM 294 O GLY A 17 -18.414 7.377 -0.904 1.00 0.00 O ATOM 0 H GLY A 17 -18.049 3.195 -1.996 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.288 5.270 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.741 5.469 -1.998 1.00 0.00 H new ATOM 298 N PHE A 18 -16.848 5.894 -0.480 1.00 0.00 N ATOM 299 CA PHE A 18 -16.118 6.861 0.400 1.00 0.00 C ATOM 300 C PHE A 18 -14.733 7.178 -0.161 1.00 0.00 C ATOM 301 O PHE A 18 -14.346 6.716 -1.220 1.00 0.00 O ATOM 302 CB PHE A 18 -15.939 6.261 1.794 1.00 0.00 C ATOM 303 CG PHE A 18 -17.105 6.646 2.663 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.402 6.546 2.162 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.890 7.085 3.974 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.493 6.888 2.968 1.00 0.00 C ATOM 307 CE2 PHE A 18 -17.980 7.426 4.783 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.282 7.328 4.280 1.00 0.00 C ATOM 0 H PHE A 18 -16.415 4.975 -0.572 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.709 7.776 0.447 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.865 5.176 1.727 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.009 6.617 2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.565 6.204 1.151 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.885 7.161 4.361 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.497 6.813 2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -17.816 7.765 5.795 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.124 7.592 4.904 1.00 0.00 H new ATOM 318 N THR A 19 -13.984 7.964 0.567 1.00 0.00 N ATOM 319 CA THR A 19 -12.613 8.333 0.126 1.00 0.00 C ATOM 320 C THR A 19 -11.619 8.001 1.241 1.00 0.00 C ATOM 321 O THR A 19 -11.741 8.469 2.356 1.00 0.00 O ATOM 322 CB THR A 19 -12.566 9.833 -0.173 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.836 10.561 1.017 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.614 10.172 -1.233 1.00 0.00 C ATOM 0 H THR A 19 -14.270 8.369 1.458 1.00 0.00 H new ATOM 0 HA THR A 19 -12.351 7.775 -0.773 1.00 0.00 H new ATOM 0 HB THR A 19 -11.577 10.102 -0.544 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.596 10.016 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.582 11.240 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.404 9.612 -2.144 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.604 9.905 -0.864 1.00 0.00 H new ATOM 332 N HIS A 20 -10.641 7.189 0.952 1.00 0.00 N ATOM 333 CA HIS A 20 -9.642 6.817 1.998 1.00 0.00 C ATOM 334 C HIS A 20 -8.292 7.461 1.678 1.00 0.00 C ATOM 335 O HIS A 20 -8.051 7.910 0.576 1.00 0.00 O ATOM 336 CB HIS A 20 -9.475 5.297 2.004 1.00 0.00 C ATOM 337 CG HIS A 20 -9.388 4.783 3.409 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.463 4.829 4.280 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.369 4.175 4.095 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.073 4.258 5.432 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.803 3.844 5.376 1.00 0.00 N ATOM 0 H HIS A 20 -10.488 6.765 0.037 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.989 7.165 2.971 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.317 4.831 1.492 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.575 5.022 1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.382 3.982 3.702 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.708 4.147 6.298 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.268 3.385 6.113 1.00 0.00 H new ATOM 349 N ASN A 21 -7.402 7.490 2.630 1.00 0.00 N ATOM 350 CA ASN A 21 -6.057 8.078 2.381 1.00 0.00 C ATOM 351 C ASN A 21 -5.007 7.146 2.985 1.00 0.00 C ATOM 352 O ASN A 21 -4.497 7.369 4.065 1.00 0.00 O ATOM 353 CB ASN A 21 -5.969 9.472 3.011 1.00 0.00 C ATOM 354 CG ASN A 21 -4.502 9.875 3.183 1.00 0.00 C ATOM 355 OD1 ASN A 21 -3.998 9.920 4.288 1.00 0.00 O ATOM 356 ND2 ASN A 21 -3.791 10.172 2.130 1.00 0.00 N ATOM 0 H ASN A 21 -7.549 7.130 3.573 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.882 8.182 1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.483 10.198 2.381 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.472 9.476 3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.813 10.442 2.235 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.213 10.134 1.202 1.00 0.00 H new ATOM 363 N LEU A 22 -4.706 6.089 2.289 1.00 0.00 N ATOM 364 CA LEU A 22 -3.714 5.097 2.784 1.00 0.00 C ATOM 365 C LEU A 22 -2.328 5.734 2.905 1.00 0.00 C ATOM 366 O LEU A 22 -1.889 6.463 2.036 1.00 0.00 O ATOM 367 CB LEU A 22 -3.664 3.949 1.782 1.00 0.00 C ATOM 368 CG LEU A 22 -2.658 2.896 2.230 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.124 1.533 1.727 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.286 3.207 1.632 1.00 0.00 C ATOM 0 H LEU A 22 -5.113 5.866 1.381 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.008 4.739 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.652 3.499 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.389 4.329 0.798 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.585 2.895 3.318 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.414 0.768 2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.106 1.308 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.185 1.548 0.639 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.569 2.452 1.954 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.354 3.202 0.544 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.956 4.189 1.970 1.00 0.00 H new ATOM 382 N GLU A 23 -1.632 5.448 3.974 1.00 0.00 N ATOM 383 CA GLU A 23 -0.269 6.020 4.159 1.00 0.00 C ATOM 384 C GLU A 23 0.711 4.898 4.522 1.00 0.00 C ATOM 385 O GLU A 23 0.336 3.891 5.088 1.00 0.00 O ATOM 386 CB GLU A 23 -0.299 7.054 5.287 1.00 0.00 C ATOM 387 CG GLU A 23 -0.717 6.374 6.592 1.00 0.00 C ATOM 388 CD GLU A 23 0.529 5.910 7.349 1.00 0.00 C ATOM 389 OE1 GLU A 23 1.618 6.275 6.938 1.00 0.00 O ATOM 390 OE2 GLU A 23 0.373 5.196 8.326 1.00 0.00 O ATOM 0 H GLU A 23 -1.952 4.841 4.729 1.00 0.00 H new ATOM 0 HA GLU A 23 0.053 6.499 3.234 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.684 7.511 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.997 7.855 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.292 7.066 7.207 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.364 5.523 6.380 1.00 0.00 H new ATOM 397 N VAL A 24 1.964 5.068 4.198 1.00 0.00 N ATOM 398 CA VAL A 24 2.977 4.019 4.518 1.00 0.00 C ATOM 399 C VAL A 24 4.365 4.661 4.519 1.00 0.00 C ATOM 400 O VAL A 24 4.585 5.666 3.879 1.00 0.00 O ATOM 401 CB VAL A 24 2.915 2.914 3.457 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.204 2.087 3.480 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.725 2.001 3.754 1.00 0.00 C ATOM 0 H VAL A 24 2.332 5.892 3.723 1.00 0.00 H new ATOM 0 HA VAL A 24 2.773 3.585 5.497 1.00 0.00 H new ATOM 0 HB VAL A 24 2.802 3.369 2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.148 1.305 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.056 2.735 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.327 1.632 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.675 1.213 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.846 1.555 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.804 2.584 3.730 1.00 0.00 H new ATOM 413 N ASP A 25 5.304 4.097 5.234 1.00 0.00 N ATOM 414 CA ASP A 25 6.668 4.698 5.266 1.00 0.00 C ATOM 415 C ASP A 25 7.727 3.614 5.074 1.00 0.00 C ATOM 416 O ASP A 25 7.627 2.532 5.618 1.00 0.00 O ATOM 417 CB ASP A 25 6.887 5.395 6.610 1.00 0.00 C ATOM 418 CG ASP A 25 8.235 6.118 6.597 1.00 0.00 C ATOM 419 OD1 ASP A 25 8.972 5.938 5.642 1.00 0.00 O ATOM 420 OD2 ASP A 25 8.507 6.839 7.543 1.00 0.00 O ATOM 0 H ASP A 25 5.186 3.252 5.793 1.00 0.00 H new ATOM 0 HA ASP A 25 6.755 5.424 4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.083 6.106 6.798 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.862 4.665 7.419 1.00 0.00 H new ATOM 425 N PHE A 26 8.751 3.900 4.311 1.00 0.00 N ATOM 426 CA PHE A 26 9.819 2.882 4.101 1.00 0.00 C ATOM 427 C PHE A 26 11.044 3.541 3.473 1.00 0.00 C ATOM 428 O PHE A 26 10.960 4.189 2.451 1.00 0.00 O ATOM 429 CB PHE A 26 9.299 1.757 3.200 1.00 0.00 C ATOM 430 CG PHE A 26 9.272 2.208 1.760 1.00 0.00 C ATOM 431 CD1 PHE A 26 10.413 2.067 0.960 1.00 0.00 C ATOM 432 CD2 PHE A 26 8.102 2.755 1.222 1.00 0.00 C ATOM 433 CE1 PHE A 26 10.382 2.476 -0.378 1.00 0.00 C ATOM 434 CE2 PHE A 26 8.071 3.161 -0.116 1.00 0.00 C ATOM 435 CZ PHE A 26 9.211 3.022 -0.916 1.00 0.00 C ATOM 0 H PHE A 26 8.892 4.788 3.829 1.00 0.00 H new ATOM 0 HA PHE A 26 10.103 2.455 5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.935 0.878 3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.298 1.463 3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 26 11.315 1.643 1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.223 2.864 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 26 11.262 2.370 -0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.167 3.582 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.187 3.336 -1.949 1.00 0.00 H new ATOM 445 N ILE A 27 12.185 3.387 4.085 1.00 0.00 N ATOM 446 CA ILE A 27 13.416 4.021 3.534 1.00 0.00 C ATOM 447 C ILE A 27 13.958 3.196 2.366 1.00 0.00 C ATOM 448 O ILE A 27 13.530 2.086 2.120 1.00 0.00 O ATOM 449 CB ILE A 27 14.482 4.107 4.629 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.813 4.401 5.975 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.465 5.231 4.296 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.846 5.576 5.821 1.00 0.00 C ATOM 0 H ILE A 27 12.319 2.850 4.942 1.00 0.00 H new ATOM 0 HA ILE A 27 13.168 5.022 3.180 1.00 0.00 H new ATOM 0 HB ILE A 27 15.017 3.159 4.688 1.00 0.00 H new ATOM 0 HG12 ILE A 27 13.277 3.519 6.326 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.569 4.635 6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.224 5.293 5.075 1.00 0.00 H new ATOM 0 HG22 ILE A 27 15.943 5.024 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 27 14.928 6.178 4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.371 5.784 6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 27 13.394 6.458 5.489 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.083 5.325 5.084 1.00 0.00 H new ATOM 464 N GLY A 28 14.897 3.742 1.642 1.00 0.00 N ATOM 465 CA GLY A 28 15.479 3.012 0.483 1.00 0.00 C ATOM 466 C GLY A 28 16.144 4.020 -0.457 1.00 0.00 C ATOM 467 O GLY A 28 15.646 5.108 -0.666 1.00 0.00 O ATOM 0 H GLY A 28 15.288 4.670 1.806 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.209 2.280 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.700 2.462 -0.045 1.00 0.00 H new ATOM 471 N ALA A 29 17.266 3.673 -1.024 1.00 0.00 N ATOM 472 CA ALA A 29 17.953 4.621 -1.945 1.00 0.00 C ATOM 473 C ALA A 29 19.125 3.909 -2.631 1.00 0.00 C ATOM 474 O ALA A 29 19.429 2.778 -2.309 1.00 0.00 O ATOM 475 CB ALA A 29 18.460 5.822 -1.149 1.00 0.00 C ATOM 0 H ALA A 29 17.735 2.777 -0.890 1.00 0.00 H new ATOM 0 HA ALA A 29 17.254 4.967 -2.707 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.963 6.517 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.618 6.324 -0.671 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.161 5.483 -0.386 1.00 0.00 H new ATOM 481 N PRO A 30 19.731 4.581 -3.581 1.00 0.00 N ATOM 482 CA PRO A 30 19.362 5.958 -3.972 1.00 0.00 C ATOM 483 C PRO A 30 18.020 5.981 -4.706 1.00 0.00 C ATOM 484 O PRO A 30 17.546 7.023 -5.114 1.00 0.00 O ATOM 485 CB PRO A 30 20.511 6.396 -4.886 1.00 0.00 C ATOM 486 CG PRO A 30 21.174 5.100 -5.402 1.00 0.00 C ATOM 487 CD PRO A 30 20.835 4.004 -4.375 1.00 0.00 C ATOM 0 HA PRO A 30 19.233 6.622 -3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.140 6.999 -5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.229 7.009 -4.341 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.797 4.837 -6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.253 5.225 -5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.532 3.079 -4.865 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.694 3.766 -3.748 1.00 0.00 H new ATOM 495 N ASP A 31 17.396 4.849 -4.864 1.00 0.00 N ATOM 496 CA ASP A 31 16.081 4.825 -5.554 1.00 0.00 C ATOM 497 C ASP A 31 15.417 3.461 -5.340 1.00 0.00 C ATOM 498 O ASP A 31 15.625 2.544 -6.110 1.00 0.00 O ATOM 499 CB ASP A 31 16.281 5.071 -7.051 1.00 0.00 C ATOM 500 CG ASP A 31 14.925 5.039 -7.759 1.00 0.00 C ATOM 501 OD1 ASP A 31 13.926 4.893 -7.076 1.00 0.00 O ATOM 502 OD2 ASP A 31 14.910 5.162 -8.973 1.00 0.00 O ATOM 0 H ASP A 31 17.739 3.943 -4.546 1.00 0.00 H new ATOM 0 HA ASP A 31 15.442 5.607 -5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.764 6.035 -7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.940 4.311 -7.470 1.00 0.00 H new ATOM 507 N PRO A 32 14.635 3.372 -4.295 1.00 0.00 N ATOM 508 CA PRO A 32 13.918 2.134 -3.941 1.00 0.00 C ATOM 509 C PRO A 32 12.684 1.965 -4.832 1.00 0.00 C ATOM 510 O PRO A 32 12.346 2.834 -5.611 1.00 0.00 O ATOM 511 CB PRO A 32 13.510 2.360 -2.483 1.00 0.00 C ATOM 512 CG PRO A 32 13.500 3.891 -2.267 1.00 0.00 C ATOM 513 CD PRO A 32 14.391 4.497 -3.368 1.00 0.00 C ATOM 0 HA PRO A 32 14.519 1.234 -4.075 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.527 1.933 -2.284 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.212 1.876 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.485 4.284 -2.330 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.880 4.145 -1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.894 5.327 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.323 4.885 -2.958 1.00 0.00 H new ATOM 521 N THR A 33 12.007 0.855 -4.723 1.00 0.00 N ATOM 522 CA THR A 33 10.796 0.638 -5.563 1.00 0.00 C ATOM 523 C THR A 33 9.653 0.118 -4.689 1.00 0.00 C ATOM 524 O THR A 33 9.720 -0.967 -4.148 1.00 0.00 O ATOM 525 CB THR A 33 11.109 -0.387 -6.655 1.00 0.00 C ATOM 526 OG1 THR A 33 12.046 0.168 -7.568 1.00 0.00 O ATOM 527 CG2 THR A 33 9.823 -0.751 -7.398 1.00 0.00 C ATOM 0 H THR A 33 12.240 0.090 -4.090 1.00 0.00 H new ATOM 0 HA THR A 33 10.501 1.581 -6.023 1.00 0.00 H new ATOM 0 HB THR A 33 11.531 -1.285 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.249 -0.488 -8.267 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.046 -1.481 -8.176 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.105 -1.176 -6.696 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.399 0.145 -7.852 1.00 0.00 H new ATOM 535 N ALA A 34 8.605 0.883 -4.549 1.00 0.00 N ATOM 536 CA ALA A 34 7.458 0.430 -3.710 1.00 0.00 C ATOM 537 C ALA A 34 6.311 -0.019 -4.617 1.00 0.00 C ATOM 538 O ALA A 34 5.831 0.732 -5.443 1.00 0.00 O ATOM 539 CB ALA A 34 6.986 1.586 -2.825 1.00 0.00 C ATOM 0 H ALA A 34 8.493 1.801 -4.979 1.00 0.00 H new ATOM 0 HA ALA A 34 7.773 -0.403 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.148 1.256 -2.212 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.804 1.907 -2.180 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.670 2.419 -3.453 1.00 0.00 H new ATOM 545 N THR A 35 5.869 -1.239 -4.475 1.00 0.00 N ATOM 546 CA THR A 35 4.754 -1.729 -5.335 1.00 0.00 C ATOM 547 C THR A 35 3.461 -1.788 -4.519 1.00 0.00 C ATOM 548 O THR A 35 3.439 -2.275 -3.407 1.00 0.00 O ATOM 549 CB THR A 35 5.091 -3.127 -5.859 1.00 0.00 C ATOM 550 OG1 THR A 35 6.207 -3.047 -6.735 1.00 0.00 O ATOM 551 CG2 THR A 35 3.888 -3.695 -6.614 1.00 0.00 C ATOM 0 H THR A 35 6.230 -1.916 -3.803 1.00 0.00 H new ATOM 0 HA THR A 35 4.619 -1.047 -6.175 1.00 0.00 H new ATOM 0 HB THR A 35 5.333 -3.780 -5.021 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.425 -3.942 -7.070 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.129 -4.691 -6.987 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.032 -3.757 -5.941 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.644 -3.043 -7.453 1.00 0.00 H new ATOM 559 N TRP A 36 2.381 -1.299 -5.063 1.00 0.00 N ATOM 560 CA TRP A 36 1.091 -1.332 -4.319 1.00 0.00 C ATOM 561 C TRP A 36 0.227 -2.484 -4.857 1.00 0.00 C ATOM 562 O TRP A 36 -0.446 -2.375 -5.876 1.00 0.00 O ATOM 563 CB TRP A 36 0.380 0.013 -4.485 1.00 0.00 C ATOM 564 CG TRP A 36 0.825 0.932 -3.386 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.571 2.053 -3.548 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.579 0.817 -1.955 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.780 2.636 -2.312 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.191 1.911 -1.299 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.113 -0.119 -1.172 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.118 2.068 0.085 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.185 0.036 0.221 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.426 1.127 0.847 1.00 0.00 C ATOM 0 H TRP A 36 2.336 -0.878 -5.991 1.00 0.00 H new ATOM 0 HA TRP A 36 1.269 -1.500 -3.257 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.614 0.446 -5.458 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.701 -0.124 -4.448 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.942 2.429 -4.490 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.306 3.498 -2.168 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.593 -0.964 -1.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.594 2.912 0.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.717 -0.693 0.814 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.362 1.241 1.919 1.00 0.00 H new ATOM 583 N THR A 37 0.258 -3.605 -4.189 1.00 0.00 N ATOM 584 CA THR A 37 -0.537 -4.764 -4.671 1.00 0.00 C ATOM 585 C THR A 37 -1.775 -4.963 -3.804 1.00 0.00 C ATOM 586 O THR A 37 -1.986 -4.283 -2.819 1.00 0.00 O ATOM 587 CB THR A 37 0.315 -6.035 -4.647 1.00 0.00 C ATOM 588 OG1 THR A 37 1.477 -5.812 -3.861 1.00 0.00 O ATOM 589 CG2 THR A 37 0.723 -6.406 -6.074 1.00 0.00 C ATOM 0 H THR A 37 0.796 -3.766 -3.337 1.00 0.00 H new ATOM 0 HA THR A 37 -0.852 -4.560 -5.694 1.00 0.00 H new ATOM 0 HB THR A 37 -0.263 -6.851 -4.214 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.224 -5.737 -2.917 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.330 -7.311 -6.055 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.170 -6.580 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.300 -5.591 -6.511 1.00 0.00 H new ATOM 597 N VAL A 38 -2.610 -5.883 -4.191 1.00 0.00 N ATOM 598 CA VAL A 38 -3.860 -6.120 -3.433 1.00 0.00 C ATOM 599 C VAL A 38 -4.001 -7.609 -3.078 1.00 0.00 C ATOM 600 O VAL A 38 -4.921 -8.284 -3.496 1.00 0.00 O ATOM 601 CB VAL A 38 -5.015 -5.652 -4.316 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.312 -6.692 -5.392 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.251 -5.420 -3.465 1.00 0.00 C ATOM 0 H VAL A 38 -2.477 -6.483 -5.005 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.856 -5.570 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.733 -4.717 -4.801 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.137 -6.346 -6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.427 -6.838 -6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.584 -7.636 -4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.072 -5.086 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.531 -6.349 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.039 -4.658 -2.715 1.00 0.00 H new ATOM 613 N GLY A 39 -3.100 -8.122 -2.287 1.00 0.00 N ATOM 614 CA GLY A 39 -3.181 -9.556 -1.887 1.00 0.00 C ATOM 615 C GLY A 39 -3.502 -10.422 -3.107 1.00 0.00 C ATOM 616 O GLY A 39 -3.212 -10.064 -4.230 1.00 0.00 O ATOM 0 H GLY A 39 -2.309 -7.609 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.237 -9.873 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.950 -9.687 -1.125 1.00 0.00 H new ATOM 620 N ASP A 40 -4.098 -11.564 -2.889 1.00 0.00 N ATOM 621 CA ASP A 40 -4.444 -12.462 -4.024 1.00 0.00 C ATOM 622 C ASP A 40 -3.180 -13.143 -4.555 1.00 0.00 C ATOM 623 O ASP A 40 -3.234 -13.949 -5.463 1.00 0.00 O ATOM 624 CB ASP A 40 -5.084 -11.635 -5.132 1.00 0.00 C ATOM 625 CG ASP A 40 -6.186 -12.451 -5.810 1.00 0.00 C ATOM 626 OD1 ASP A 40 -7.225 -12.630 -5.197 1.00 0.00 O ATOM 627 OD2 ASP A 40 -5.971 -12.885 -6.930 1.00 0.00 O ATOM 0 H ASP A 40 -4.361 -11.913 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.141 -13.228 -3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.500 -10.716 -4.720 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.331 -11.344 -5.864 1.00 0.00 H new ATOM 632 N SER A 41 -2.042 -12.830 -3.999 1.00 0.00 N ATOM 633 CA SER A 41 -0.781 -13.464 -4.475 1.00 0.00 C ATOM 634 C SER A 41 -0.603 -13.176 -5.966 1.00 0.00 C ATOM 635 O SER A 41 -0.311 -14.058 -6.749 1.00 0.00 O ATOM 636 CB SER A 41 -0.856 -14.973 -4.251 1.00 0.00 C ATOM 637 OG SER A 41 -1.441 -15.589 -5.391 1.00 0.00 O ATOM 0 H SER A 41 -1.931 -12.163 -3.236 1.00 0.00 H new ATOM 0 HA SER A 41 0.066 -13.058 -3.922 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.142 -15.376 -4.077 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.447 -15.191 -3.362 1.00 0.00 H new ATOM 0 HG SER A 41 -2.409 -15.433 -5.387 1.00 0.00 H new ATOM 643 N GLY A 42 -0.778 -11.947 -6.363 1.00 0.00 N ATOM 644 CA GLY A 42 -0.621 -11.599 -7.804 1.00 0.00 C ATOM 645 C GLY A 42 -1.563 -10.446 -8.156 1.00 0.00 C ATOM 646 O GLY A 42 -1.432 -9.819 -9.189 1.00 0.00 O ATOM 0 H GLY A 42 -1.023 -11.168 -5.752 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.411 -11.315 -8.010 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.843 -12.467 -8.425 1.00 0.00 H new ATOM 650 N ALA A 43 -2.512 -10.161 -7.306 1.00 0.00 N ATOM 651 CA ALA A 43 -3.457 -9.056 -7.587 1.00 0.00 C ATOM 652 C ALA A 43 -2.788 -7.726 -7.242 1.00 0.00 C ATOM 653 O ALA A 43 -1.823 -7.682 -6.505 1.00 0.00 O ATOM 654 CB ALA A 43 -4.719 -9.231 -6.737 1.00 0.00 C ATOM 0 H ALA A 43 -2.670 -10.652 -6.426 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.731 -9.067 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.413 -8.417 -6.945 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.192 -10.183 -6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.451 -9.218 -5.681 1.00 0.00 H new ATOM 660 N ALA A 44 -3.290 -6.641 -7.761 1.00 0.00 N ATOM 661 CA ALA A 44 -2.675 -5.321 -7.449 1.00 0.00 C ATOM 662 C ALA A 44 -3.778 -4.281 -7.261 1.00 0.00 C ATOM 663 O ALA A 44 -4.936 -4.550 -7.508 1.00 0.00 O ATOM 664 CB ALA A 44 -1.758 -4.897 -8.598 1.00 0.00 C ATOM 0 H ALA A 44 -4.096 -6.610 -8.385 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.089 -5.399 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.309 -3.931 -8.368 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.972 -5.640 -8.729 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.339 -4.817 -9.517 1.00 0.00 H new ATOM 670 N LEU A 45 -3.440 -3.088 -6.842 1.00 0.00 N ATOM 671 CA LEU A 45 -4.515 -2.058 -6.672 1.00 0.00 C ATOM 672 C LEU A 45 -4.008 -0.696 -7.142 1.00 0.00 C ATOM 673 O LEU A 45 -2.843 -0.375 -7.022 1.00 0.00 O ATOM 674 CB LEU A 45 -5.002 -2.001 -5.212 1.00 0.00 C ATOM 675 CG LEU A 45 -3.954 -1.393 -4.281 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.606 -2.014 -4.560 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.884 0.123 -4.484 1.00 0.00 C ATOM 0 H LEU A 45 -2.493 -2.785 -6.615 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.370 -2.340 -7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.919 -1.414 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.248 -3.007 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.236 -1.595 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.860 -1.579 -3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.659 -3.090 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.324 -1.822 -5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.134 0.545 -3.815 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.612 0.340 -5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.856 0.565 -4.264 1.00 0.00 H new ATOM 689 N ALA A 46 -4.879 0.102 -7.701 1.00 0.00 N ATOM 690 CA ALA A 46 -4.452 1.435 -8.206 1.00 0.00 C ATOM 691 C ALA A 46 -5.514 2.013 -9.155 1.00 0.00 C ATOM 692 O ALA A 46 -5.947 3.133 -8.975 1.00 0.00 O ATOM 693 CB ALA A 46 -3.128 1.293 -8.958 1.00 0.00 C ATOM 0 H ALA A 46 -5.868 -0.114 -7.829 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.329 2.109 -7.359 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.814 2.269 -9.329 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.367 0.899 -8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.258 0.610 -9.798 1.00 0.00 H new ATOM 699 N PRO A 47 -5.904 1.244 -10.145 1.00 0.00 N ATOM 700 CA PRO A 47 -6.904 1.691 -11.134 1.00 0.00 C ATOM 701 C PRO A 47 -8.294 1.781 -10.502 1.00 0.00 C ATOM 702 O PRO A 47 -9.192 2.396 -11.042 1.00 0.00 O ATOM 703 CB PRO A 47 -6.831 0.630 -12.236 1.00 0.00 C ATOM 704 CG PRO A 47 -6.205 -0.626 -11.590 1.00 0.00 C ATOM 705 CD PRO A 47 -5.411 -0.135 -10.364 1.00 0.00 C ATOM 0 HA PRO A 47 -6.708 2.691 -11.522 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.823 0.411 -12.630 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.226 0.979 -13.072 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.977 -1.336 -11.294 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.552 -1.141 -12.295 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.591 -0.766 -9.494 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.337 -0.150 -10.552 1.00 0.00 H new ATOM 713 N GLU A 48 -8.471 1.205 -9.347 1.00 0.00 N ATOM 714 CA GLU A 48 -9.795 1.297 -8.669 1.00 0.00 C ATOM 715 C GLU A 48 -9.702 2.370 -7.581 1.00 0.00 C ATOM 716 O GLU A 48 -10.545 2.471 -6.712 1.00 0.00 O ATOM 717 CB GLU A 48 -10.164 -0.055 -8.047 1.00 0.00 C ATOM 718 CG GLU A 48 -9.084 -0.486 -7.053 1.00 0.00 C ATOM 719 CD GLU A 48 -8.860 -1.995 -7.165 1.00 0.00 C ATOM 720 OE1 GLU A 48 -9.744 -2.670 -7.666 1.00 0.00 O ATOM 721 OE2 GLU A 48 -7.808 -2.451 -6.747 1.00 0.00 O ATOM 0 H GLU A 48 -7.759 0.676 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.568 1.562 -9.391 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.127 0.019 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.271 -0.807 -8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.155 0.046 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.385 -0.227 -6.038 1.00 0.00 H new ATOM 728 N LEU A 49 -8.672 3.174 -7.633 1.00 0.00 N ATOM 729 CA LEU A 49 -8.489 4.246 -6.630 1.00 0.00 C ATOM 730 C LEU A 49 -7.328 5.128 -7.081 1.00 0.00 C ATOM 731 O LEU A 49 -6.906 5.077 -8.218 1.00 0.00 O ATOM 732 CB LEU A 49 -8.167 3.621 -5.277 1.00 0.00 C ATOM 733 CG LEU A 49 -6.884 2.802 -5.394 1.00 0.00 C ATOM 734 CD1 LEU A 49 -6.052 2.970 -4.127 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.243 1.330 -5.569 1.00 0.00 C ATOM 0 H LEU A 49 -7.942 3.126 -8.343 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.397 4.842 -6.538 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.048 4.399 -4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.990 2.985 -4.952 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.309 3.147 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.137 2.385 -4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.799 4.022 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.625 2.624 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.330 0.740 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.816 0.990 -4.706 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.840 1.206 -6.473 1.00 0.00 H new ATOM 747 N LEU A 50 -6.802 5.925 -6.208 1.00 0.00 N ATOM 748 CA LEU A 50 -5.661 6.789 -6.590 1.00 0.00 C ATOM 749 C LEU A 50 -4.430 6.292 -5.830 1.00 0.00 C ATOM 750 O LEU A 50 -4.554 5.596 -4.845 1.00 0.00 O ATOM 751 CB LEU A 50 -5.996 8.234 -6.216 1.00 0.00 C ATOM 752 CG LEU A 50 -4.719 9.055 -6.087 1.00 0.00 C ATOM 753 CD1 LEU A 50 -4.109 9.234 -7.471 1.00 0.00 C ATOM 754 CD2 LEU A 50 -5.063 10.419 -5.491 1.00 0.00 C ATOM 0 H LEU A 50 -7.113 6.017 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.463 6.750 -7.661 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.644 8.673 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.547 8.255 -5.276 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.006 8.548 -5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.194 9.821 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.879 8.257 -7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.818 9.753 -8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.155 11.014 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.767 10.935 -6.144 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.513 10.283 -4.508 1.00 0.00 H new ATOM 766 N VAL A 51 -3.245 6.610 -6.273 1.00 0.00 N ATOM 767 CA VAL A 51 -2.047 6.106 -5.544 1.00 0.00 C ATOM 768 C VAL A 51 -0.875 7.080 -5.677 1.00 0.00 C ATOM 769 O VAL A 51 -0.650 7.673 -6.713 1.00 0.00 O ATOM 770 CB VAL A 51 -1.640 4.747 -6.117 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.406 4.229 -5.377 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.792 3.756 -5.939 1.00 0.00 C ATOM 0 H VAL A 51 -3.055 7.186 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.300 6.010 -4.488 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.409 4.854 -7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.116 3.261 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.415 4.935 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.636 4.121 -4.317 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.504 2.787 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.020 3.650 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.673 4.124 -6.465 1.00 0.00 H new ATOM 782 N ASP A 52 -0.117 7.224 -4.625 1.00 0.00 N ATOM 783 CA ASP A 52 1.066 8.129 -4.651 1.00 0.00 C ATOM 784 C ASP A 52 2.201 7.441 -3.892 1.00 0.00 C ATOM 785 O ASP A 52 1.964 6.631 -3.018 1.00 0.00 O ATOM 786 CB ASP A 52 0.717 9.456 -3.972 1.00 0.00 C ATOM 787 CG ASP A 52 0.547 10.544 -5.033 1.00 0.00 C ATOM 788 OD1 ASP A 52 1.294 10.526 -5.998 1.00 0.00 O ATOM 789 OD2 ASP A 52 -0.328 11.377 -4.864 1.00 0.00 O ATOM 0 H ASP A 52 -0.270 6.746 -3.737 1.00 0.00 H new ATOM 0 HA ASP A 52 1.366 8.334 -5.679 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.201 9.350 -3.394 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.504 9.736 -3.272 1.00 0.00 H new ATOM 794 N ALA A 53 3.430 7.725 -4.210 1.00 0.00 N ATOM 795 CA ALA A 53 4.526 7.036 -3.479 1.00 0.00 C ATOM 796 C ALA A 53 5.818 7.855 -3.528 1.00 0.00 C ATOM 797 O ALA A 53 6.117 8.521 -4.499 1.00 0.00 O ATOM 798 CB ALA A 53 4.752 5.662 -4.108 1.00 0.00 C ATOM 0 H ALA A 53 3.720 8.389 -4.928 1.00 0.00 H new ATOM 0 HA ALA A 53 4.241 6.925 -2.433 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.554 5.147 -3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.836 5.075 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.027 5.782 -5.156 1.00 0.00 H new ATOM 804 N LYS A 54 6.579 7.802 -2.469 1.00 0.00 N ATOM 805 CA LYS A 54 7.860 8.565 -2.408 1.00 0.00 C ATOM 806 C LYS A 54 9.034 7.603 -2.171 1.00 0.00 C ATOM 807 O LYS A 54 8.866 6.492 -1.710 1.00 0.00 O ATOM 808 CB LYS A 54 7.792 9.576 -1.263 1.00 0.00 C ATOM 809 CG LYS A 54 6.643 10.554 -1.511 1.00 0.00 C ATOM 810 CD LYS A 54 7.164 11.771 -2.276 1.00 0.00 C ATOM 811 CE LYS A 54 6.148 12.172 -3.348 1.00 0.00 C ATOM 812 NZ LYS A 54 6.492 13.521 -3.879 1.00 0.00 N ATOM 0 H LYS A 54 6.366 7.257 -1.634 1.00 0.00 H new ATOM 0 HA LYS A 54 8.012 9.087 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.644 9.058 -0.315 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.735 10.118 -1.186 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.852 10.065 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.207 10.867 -0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.332 12.601 -1.590 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.124 11.540 -2.738 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.148 11.441 -4.156 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.143 12.181 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.802 13.794 -4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.470 14.215 -3.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.444 13.497 -4.296 1.00 0.00 H new ATOM 826 N SER A 55 10.221 8.027 -2.498 1.00 0.00 N ATOM 827 CA SER A 55 11.421 7.154 -2.325 1.00 0.00 C ATOM 828 C SER A 55 11.490 6.545 -0.916 1.00 0.00 C ATOM 829 O SER A 55 11.663 5.352 -0.763 1.00 0.00 O ATOM 830 CB SER A 55 12.680 7.985 -2.571 1.00 0.00 C ATOM 831 OG SER A 55 12.607 8.579 -3.860 1.00 0.00 O ATOM 0 H SER A 55 10.416 8.951 -2.882 1.00 0.00 H new ATOM 0 HA SER A 55 11.348 6.336 -3.041 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.775 8.757 -1.807 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.566 7.354 -2.498 1.00 0.00 H new ATOM 0 HG SER A 55 13.412 9.114 -4.020 1.00 0.00 H new ATOM 837 N SER A 56 11.397 7.342 0.115 1.00 0.00 N ATOM 838 CA SER A 56 11.506 6.778 1.496 1.00 0.00 C ATOM 839 C SER A 56 10.124 6.558 2.116 1.00 0.00 C ATOM 840 O SER A 56 9.986 6.448 3.320 1.00 0.00 O ATOM 841 CB SER A 56 12.300 7.746 2.373 1.00 0.00 C ATOM 842 OG SER A 56 12.096 9.075 1.911 1.00 0.00 O ATOM 0 H SER A 56 11.252 8.350 0.064 1.00 0.00 H new ATOM 0 HA SER A 56 12.013 5.815 1.434 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.982 7.657 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 56 13.361 7.497 2.341 1.00 0.00 H new ATOM 0 HG SER A 56 12.603 9.698 2.473 1.00 0.00 H new ATOM 848 N THR A 57 9.098 6.481 1.325 1.00 0.00 N ATOM 849 CA THR A 57 7.747 6.267 1.915 1.00 0.00 C ATOM 850 C THR A 57 6.731 6.150 0.791 1.00 0.00 C ATOM 851 O THR A 57 7.088 6.009 -0.354 1.00 0.00 O ATOM 852 CB THR A 57 7.404 7.474 2.798 1.00 0.00 C ATOM 853 OG1 THR A 57 6.265 7.191 3.592 1.00 0.00 O ATOM 854 CG2 THR A 57 7.115 8.683 1.914 1.00 0.00 C ATOM 0 H THR A 57 9.130 6.555 0.308 1.00 0.00 H new ATOM 0 HA THR A 57 7.731 5.356 2.513 1.00 0.00 H new ATOM 0 HB THR A 57 8.250 7.687 3.452 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.978 6.267 3.435 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.871 9.541 2.540 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.994 8.911 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.273 8.461 1.258 1.00 0.00 H new ATOM 862 N THR A 58 5.470 6.225 1.103 1.00 0.00 N ATOM 863 CA THR A 58 4.448 6.147 0.035 1.00 0.00 C ATOM 864 C THR A 58 3.054 6.177 0.652 1.00 0.00 C ATOM 865 O THR A 58 2.844 5.752 1.770 1.00 0.00 O ATOM 866 CB THR A 58 4.606 4.852 -0.762 1.00 0.00 C ATOM 867 OG1 THR A 58 3.770 4.907 -1.906 1.00 0.00 O ATOM 868 CG2 THR A 58 4.190 3.668 0.105 1.00 0.00 C ATOM 0 H THR A 58 5.107 6.337 2.049 1.00 0.00 H new ATOM 0 HA THR A 58 4.581 7.000 -0.631 1.00 0.00 H new ATOM 0 HB THR A 58 5.646 4.734 -1.067 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.971 4.150 -2.495 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.302 2.744 -0.463 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.821 3.628 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.149 3.785 0.405 1.00 0.00 H new ATOM 876 N SER A 59 2.098 6.655 -0.085 1.00 0.00 N ATOM 877 CA SER A 59 0.705 6.698 0.425 1.00 0.00 C ATOM 878 C SER A 59 -0.220 6.618 -0.769 1.00 0.00 C ATOM 879 O SER A 59 0.075 7.134 -1.827 1.00 0.00 O ATOM 880 CB SER A 59 0.459 7.994 1.194 1.00 0.00 C ATOM 881 OG SER A 59 1.675 8.426 1.788 1.00 0.00 O ATOM 0 H SER A 59 2.223 7.022 -1.029 1.00 0.00 H new ATOM 0 HA SER A 59 0.525 5.867 1.107 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.076 8.762 0.522 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.298 7.836 1.962 1.00 0.00 H new ATOM 0 HG SER A 59 1.520 9.259 2.281 1.00 0.00 H new ATOM 887 N ILE A 60 -1.321 5.955 -0.639 1.00 0.00 N ATOM 888 CA ILE A 60 -2.203 5.836 -1.815 1.00 0.00 C ATOM 889 C ILE A 60 -3.637 6.219 -1.455 1.00 0.00 C ATOM 890 O ILE A 60 -4.054 6.164 -0.315 1.00 0.00 O ATOM 891 CB ILE A 60 -2.072 4.413 -2.376 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.914 3.421 -1.572 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.600 3.986 -2.276 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.754 2.021 -2.176 1.00 0.00 C ATOM 0 H ILE A 60 -1.645 5.498 0.213 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.904 6.534 -2.597 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.420 4.413 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.598 3.419 -0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.962 3.719 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.487 2.976 -2.670 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.018 4.673 -2.854 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.286 4.006 -1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.352 1.309 -1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.091 2.031 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.705 1.726 -2.138 1.00 0.00 H new ATOM 906 N PHE A 61 -4.348 6.708 -2.429 1.00 0.00 N ATOM 907 CA PHE A 61 -5.723 7.228 -2.200 1.00 0.00 C ATOM 908 C PHE A 61 -6.835 6.240 -2.555 1.00 0.00 C ATOM 909 O PHE A 61 -6.670 5.346 -3.357 1.00 0.00 O ATOM 910 CB PHE A 61 -5.869 8.450 -3.088 1.00 0.00 C ATOM 911 CG PHE A 61 -5.587 9.670 -2.281 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.332 9.831 -1.699 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.574 10.636 -2.116 1.00 0.00 C ATOM 914 CE1 PHE A 61 -4.056 10.965 -0.946 1.00 0.00 C ATOM 915 CE2 PHE A 61 -6.310 11.775 -1.363 1.00 0.00 C ATOM 916 CZ PHE A 61 -5.046 11.948 -0.773 1.00 0.00 C ATOM 0 H PHE A 61 -4.027 6.771 -3.395 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.834 7.437 -1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.180 8.388 -3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.876 8.497 -3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.573 9.074 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.544 10.502 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.083 11.091 -0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.075 12.526 -1.232 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.836 12.832 -0.189 1.00 0.00 H new ATOM 926 N PHE A 62 -7.993 6.459 -1.966 1.00 0.00 N ATOM 927 CA PHE A 62 -9.193 5.612 -2.242 1.00 0.00 C ATOM 928 C PHE A 62 -10.441 6.510 -2.296 1.00 0.00 C ATOM 929 O PHE A 62 -11.452 6.162 -1.719 1.00 0.00 O ATOM 930 CB PHE A 62 -9.450 4.624 -1.103 1.00 0.00 C ATOM 931 CG PHE A 62 -8.301 3.675 -0.881 1.00 0.00 C ATOM 932 CD1 PHE A 62 -7.025 4.156 -0.572 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.531 2.297 -0.957 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.978 3.257 -0.342 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.487 1.399 -0.730 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.210 1.878 -0.422 1.00 0.00 C ATOM 0 H PHE A 62 -8.154 7.207 -1.292 1.00 0.00 H new ATOM 0 HA PHE A 62 -9.009 5.084 -3.178 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.640 5.178 -0.184 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.351 4.051 -1.322 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.848 5.220 -0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.518 1.928 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.992 3.626 -0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.665 0.336 -0.792 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.402 1.184 -0.246 1.00 0.00 H new ATOM 946 N PRO A 63 -10.357 7.626 -2.973 1.00 0.00 N ATOM 947 CA PRO A 63 -11.498 8.553 -3.091 1.00 0.00 C ATOM 948 C PRO A 63 -12.648 7.871 -3.821 1.00 0.00 C ATOM 949 O PRO A 63 -13.776 8.322 -3.802 1.00 0.00 O ATOM 950 CB PRO A 63 -10.921 9.749 -3.855 1.00 0.00 C ATOM 951 CG PRO A 63 -9.661 9.220 -4.566 1.00 0.00 C ATOM 952 CD PRO A 63 -9.155 8.061 -3.695 1.00 0.00 C ATOM 0 HA PRO A 63 -11.919 8.867 -2.136 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.642 10.139 -4.574 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.674 10.565 -3.176 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.893 8.880 -5.575 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.906 10.000 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.737 7.257 -4.300 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.371 8.385 -3.011 1.00 0.00 H new ATOM 960 N SER A 64 -12.366 6.761 -4.430 1.00 0.00 N ATOM 961 CA SER A 64 -13.428 5.995 -5.134 1.00 0.00 C ATOM 962 C SER A 64 -13.538 4.611 -4.484 1.00 0.00 C ATOM 963 O SER A 64 -13.534 3.602 -5.160 1.00 0.00 O ATOM 964 CB SER A 64 -13.056 5.837 -6.611 1.00 0.00 C ATOM 965 OG SER A 64 -12.324 6.979 -7.035 1.00 0.00 O ATOM 0 H SER A 64 -11.436 6.345 -4.472 1.00 0.00 H new ATOM 0 HA SER A 64 -14.379 6.522 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.460 4.935 -6.754 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.956 5.723 -7.215 1.00 0.00 H new ATOM 0 HG SER A 64 -12.083 6.881 -7.980 1.00 0.00 H new ATOM 971 N ALA A 65 -13.621 4.547 -3.174 1.00 0.00 N ATOM 972 CA ALA A 65 -13.711 3.217 -2.509 1.00 0.00 C ATOM 973 C ALA A 65 -15.163 2.764 -2.428 1.00 0.00 C ATOM 974 O ALA A 65 -16.059 3.543 -2.153 1.00 0.00 O ATOM 975 CB ALA A 65 -13.139 3.293 -1.098 1.00 0.00 C ATOM 0 H ALA A 65 -13.630 5.352 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.137 2.502 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.211 2.315 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.093 3.598 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.703 4.021 -0.515 1.00 0.00 H new ATOM 981 N LYS A 66 -15.384 1.497 -2.650 1.00 0.00 N ATOM 982 CA LYS A 66 -16.764 0.937 -2.589 1.00 0.00 C ATOM 983 C LYS A 66 -16.700 -0.506 -2.084 1.00 0.00 C ATOM 984 O LYS A 66 -15.641 -1.025 -1.802 1.00 0.00 O ATOM 985 CB LYS A 66 -17.391 0.963 -3.986 1.00 0.00 C ATOM 986 CG LYS A 66 -17.435 2.404 -4.501 1.00 0.00 C ATOM 987 CD LYS A 66 -18.704 2.611 -5.332 1.00 0.00 C ATOM 988 CE LYS A 66 -18.373 2.455 -6.817 1.00 0.00 C ATOM 989 NZ LYS A 66 -19.466 1.701 -7.493 1.00 0.00 N ATOM 0 H LYS A 66 -14.657 0.817 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.372 1.536 -1.911 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.812 0.340 -4.667 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.398 0.547 -3.952 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.418 3.101 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.553 2.612 -5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.465 1.887 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.118 3.602 -5.143 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.253 3.435 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.426 1.929 -6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.241 1.595 -8.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.560 0.761 -7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.361 2.220 -7.390 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.824 -1.156 -1.962 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.823 -2.564 -1.469 1.00 0.00 C ATOM 1005 C ARG A 67 -16.716 -3.360 -2.167 1.00 0.00 C ATOM 1006 O ARG A 67 -16.013 -4.134 -1.549 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.177 -3.209 -1.770 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.165 -4.662 -1.293 1.00 0.00 C ATOM 1009 CD ARG A 67 -18.642 -4.724 0.143 1.00 0.00 C ATOM 1010 NE ARG A 67 -18.955 -6.059 0.727 1.00 0.00 N ATOM 1011 CZ ARG A 67 -20.151 -6.305 1.190 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -20.459 -5.970 2.413 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -21.038 -6.885 0.429 1.00 0.00 N ATOM 0 H ARG A 67 -18.744 -0.774 -2.182 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.645 -2.567 -0.394 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.974 -2.657 -1.271 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.382 -3.168 -2.840 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -20.170 -5.081 -1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.535 -5.265 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -17.566 -4.552 0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.099 -3.937 0.742 1.00 0.00 H new ATOM 0 HE ARG A 67 -18.235 -6.781 0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -19.766 -5.516 3.007 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -21.393 -6.162 2.775 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -20.797 -7.146 -0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -21.972 -7.077 0.790 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.564 -3.185 -3.451 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.516 -3.937 -4.192 1.00 0.00 C ATOM 1029 C ALA A 68 -14.137 -3.654 -3.586 1.00 0.00 C ATOM 1030 O ALA A 68 -13.325 -4.543 -3.428 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.523 -3.504 -5.658 1.00 0.00 C ATOM 0 H ALA A 68 -17.124 -2.550 -4.020 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.725 -5.004 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.756 -4.054 -6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.499 -3.714 -6.095 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.319 -2.435 -5.723 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.865 -2.422 -3.255 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.536 -2.078 -2.669 1.00 0.00 C ATOM 1039 C ASP A 69 -12.160 -3.095 -1.587 1.00 0.00 C ATOM 1040 O ASP A 69 -11.000 -3.283 -1.280 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.600 -0.681 -2.049 1.00 0.00 C ATOM 1042 CG ASP A 69 -11.944 0.328 -2.994 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -11.990 0.105 -4.192 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.407 1.307 -2.502 1.00 0.00 O ATOM 0 H ASP A 69 -14.506 -1.636 -3.365 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.783 -2.099 -3.457 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.637 -0.401 -1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.092 -0.676 -1.085 1.00 0.00 H new ATOM 1049 N SER A 70 -13.127 -3.748 -1.003 1.00 0.00 N ATOM 1050 CA SER A 70 -12.817 -4.744 0.063 1.00 0.00 C ATOM 1051 C SER A 70 -11.785 -5.751 -0.452 1.00 0.00 C ATOM 1052 O SER A 70 -12.129 -6.784 -0.992 1.00 0.00 O ATOM 1053 CB SER A 70 -14.098 -5.483 0.455 1.00 0.00 C ATOM 1054 OG SER A 70 -14.645 -6.117 -0.693 1.00 0.00 O ATOM 0 H SER A 70 -14.118 -3.635 -1.217 1.00 0.00 H new ATOM 0 HA SER A 70 -12.411 -4.227 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.883 -6.223 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.820 -4.784 0.877 1.00 0.00 H new ATOM 0 HG SER A 70 -15.395 -5.586 -1.034 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.523 -5.462 -0.286 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.472 -6.406 -0.762 1.00 0.00 C ATOM 1062 C GLY A 71 -8.267 -6.352 0.181 1.00 0.00 C ATOM 1063 O GLY A 71 -8.233 -5.578 1.120 1.00 0.00 O ATOM 0 H GLY A 71 -10.174 -4.613 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.870 -7.420 -0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.166 -6.144 -1.775 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.273 -7.163 -0.062 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.073 -7.151 0.818 1.00 0.00 C ATOM 1069 C ASN A 72 -4.991 -6.292 0.168 1.00 0.00 C ATOM 1070 O ASN A 72 -4.215 -6.759 -0.638 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.555 -8.580 0.999 1.00 0.00 C ATOM 1072 CG ASN A 72 -5.099 -8.778 2.446 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -3.917 -8.772 2.730 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -5.993 -8.956 3.381 1.00 0.00 N ATOM 0 H ASN A 72 -7.241 -7.832 -0.831 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.334 -6.740 1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.339 -9.296 0.752 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.726 -8.767 0.316 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.699 -9.090 4.349 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.985 -8.961 3.144 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.936 -5.037 0.509 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.906 -4.149 -0.092 1.00 0.00 C ATOM 1083 C TYR A 73 -2.532 -4.543 0.442 1.00 0.00 C ATOM 1084 O TYR A 73 -2.145 -4.168 1.528 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.220 -2.696 0.267 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.250 -2.176 -0.705 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.364 -2.962 -1.022 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.081 -0.925 -1.309 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.311 -2.498 -1.939 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.028 -0.463 -2.233 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.143 -1.249 -2.546 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.076 -0.794 -3.455 1.00 0.00 O ATOM 0 H TYR A 73 -5.560 -4.587 1.179 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.909 -4.253 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.595 -2.631 1.288 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.315 -2.090 0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.492 -3.928 -0.557 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.223 -0.317 -1.064 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.172 -3.104 -2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.897 0.500 -2.704 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.588 -0.058 -3.058 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.792 -5.305 -0.316 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.445 -5.731 0.150 1.00 0.00 C ATOM 1104 C LYS A 74 0.620 -4.918 -0.580 1.00 0.00 C ATOM 1105 O LYS A 74 0.728 -4.964 -1.788 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.248 -7.220 -0.145 1.00 0.00 C ATOM 1107 CG LYS A 74 -1.077 -8.049 0.838 1.00 0.00 C ATOM 1108 CD LYS A 74 -0.225 -9.197 1.384 1.00 0.00 C ATOM 1109 CE LYS A 74 -0.813 -10.533 0.925 1.00 0.00 C ATOM 1110 NZ LYS A 74 0.036 -11.649 1.430 1.00 0.00 N ATOM 0 H LYS A 74 -2.063 -5.650 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.359 -5.563 1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.549 -7.442 -1.169 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.807 -7.482 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.426 -7.420 1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.963 -8.444 0.340 1.00 0.00 H new ATOM 0 HD2 LYS A 74 0.802 -9.100 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.195 -9.156 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.832 -10.641 1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.865 -10.565 -0.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.363 -12.557 1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.001 -11.548 1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.064 -11.621 2.469 1.00 0.00 H new ATOM 1124 N LEU A 75 1.404 -4.171 0.143 1.00 0.00 N ATOM 1125 CA LEU A 75 2.457 -3.349 -0.513 1.00 0.00 C ATOM 1126 C LEU A 75 3.820 -4.010 -0.294 1.00 0.00 C ATOM 1127 O LEU A 75 4.061 -4.630 0.717 1.00 0.00 O ATOM 1128 CB LEU A 75 2.436 -1.943 0.100 1.00 0.00 C ATOM 1129 CG LEU A 75 3.726 -1.191 -0.230 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.406 0.052 -1.055 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.403 -0.769 1.074 1.00 0.00 C ATOM 0 H LEU A 75 1.362 -4.094 1.159 1.00 0.00 H new ATOM 0 HA LEU A 75 2.273 -3.275 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.578 -1.388 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.317 -2.014 1.181 1.00 0.00 H new ATOM 0 HG LEU A 75 4.388 -1.841 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.329 0.583 -1.286 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.915 -0.243 -1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.745 0.706 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.324 -0.232 0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.733 -0.120 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.635 -1.654 1.667 1.00 0.00 H new ATOM 1143 N LYS A 76 4.712 -3.886 -1.238 1.00 0.00 N ATOM 1144 CA LYS A 76 6.055 -4.506 -1.080 1.00 0.00 C ATOM 1145 C LYS A 76 7.107 -3.600 -1.725 1.00 0.00 C ATOM 1146 O LYS A 76 7.176 -3.478 -2.933 1.00 0.00 O ATOM 1147 CB LYS A 76 6.071 -5.873 -1.766 1.00 0.00 C ATOM 1148 CG LYS A 76 4.908 -6.719 -1.244 1.00 0.00 C ATOM 1149 CD LYS A 76 5.008 -8.134 -1.817 1.00 0.00 C ATOM 1150 CE LYS A 76 3.672 -8.524 -2.451 1.00 0.00 C ATOM 1151 NZ LYS A 76 3.217 -9.826 -1.888 1.00 0.00 N ATOM 0 H LYS A 76 4.567 -3.381 -2.112 1.00 0.00 H new ATOM 0 HA LYS A 76 6.278 -4.631 -0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.990 -5.751 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.017 -6.378 -1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.930 -6.754 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.958 -6.266 -1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.803 -8.181 -2.561 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.268 -8.840 -1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.927 -7.752 -2.259 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.779 -8.601 -3.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.308 -10.092 -2.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.925 -10.559 -2.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.099 -9.737 -0.859 1.00 0.00 H new ATOM 1165 N VAL A 77 7.926 -2.962 -0.933 1.00 0.00 N ATOM 1166 CA VAL A 77 8.968 -2.071 -1.514 1.00 0.00 C ATOM 1167 C VAL A 77 10.329 -2.757 -1.423 1.00 0.00 C ATOM 1168 O VAL A 77 10.800 -3.095 -0.355 1.00 0.00 O ATOM 1169 CB VAL A 77 8.992 -0.737 -0.763 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.558 -0.323 -0.449 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.777 -0.873 0.545 1.00 0.00 C ATOM 0 H VAL A 77 7.918 -3.019 0.085 1.00 0.00 H new ATOM 0 HA VAL A 77 8.737 -1.875 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 77 9.476 0.016 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.562 0.627 0.086 1.00 0.00 H new ATOM 0 HG12 VAL A 77 6.999 -0.213 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.086 -1.086 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.784 0.084 1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.305 -1.626 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.801 -1.174 0.325 1.00 0.00 H new ATOM 1181 N LYS A 78 10.954 -2.973 -2.541 1.00 0.00 N ATOM 1182 CA LYS A 78 12.282 -3.649 -2.538 1.00 0.00 C ATOM 1183 C LYS A 78 13.379 -2.642 -2.888 1.00 0.00 C ATOM 1184 O LYS A 78 13.132 -1.631 -3.516 1.00 0.00 O ATOM 1185 CB LYS A 78 12.276 -4.776 -3.573 1.00 0.00 C ATOM 1186 CG LYS A 78 13.550 -5.611 -3.430 1.00 0.00 C ATOM 1187 CD LYS A 78 13.691 -6.535 -4.641 1.00 0.00 C ATOM 1188 CE LYS A 78 14.916 -7.432 -4.459 1.00 0.00 C ATOM 1189 NZ LYS A 78 15.699 -7.467 -5.727 1.00 0.00 N ATOM 0 H LYS A 78 10.604 -2.711 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 78 12.476 -4.059 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.398 -5.407 -3.433 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.213 -4.360 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.419 -4.958 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.512 -6.199 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.794 -7.145 -4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.791 -5.945 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.537 -7.057 -3.646 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.605 -8.440 -4.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.532 -8.077 -5.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.104 -7.844 -6.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 16.008 -6.504 -5.971 1.00 0.00 H new ATOM 1203 N ASN A 79 14.591 -2.914 -2.487 1.00 0.00 N ATOM 1204 CA ASN A 79 15.708 -1.977 -2.796 1.00 0.00 C ATOM 1205 C ASN A 79 16.823 -2.733 -3.523 1.00 0.00 C ATOM 1206 O ASN A 79 16.807 -3.946 -3.606 1.00 0.00 O ATOM 1207 CB ASN A 79 16.253 -1.384 -1.496 1.00 0.00 C ATOM 1208 CG ASN A 79 16.939 -0.049 -1.793 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.304 0.987 -1.795 1.00 0.00 O ATOM 1210 ND2 ASN A 79 18.219 -0.030 -2.047 1.00 0.00 N ATOM 0 H ASN A 79 14.856 -3.745 -1.958 1.00 0.00 H new ATOM 0 HA ASN A 79 15.341 -1.173 -3.434 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.442 -1.238 -0.782 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.961 -2.075 -1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.686 0.854 -2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.752 -0.900 -2.045 1.00 0.00 H new ATOM 1217 N GLU A 80 17.781 -2.011 -4.052 1.00 0.00 N ATOM 1218 CA GLU A 80 18.918 -2.641 -4.797 1.00 0.00 C ATOM 1219 C GLU A 80 19.213 -4.048 -4.268 1.00 0.00 C ATOM 1220 O GLU A 80 19.030 -5.029 -4.960 1.00 0.00 O ATOM 1221 CB GLU A 80 20.166 -1.772 -4.636 1.00 0.00 C ATOM 1222 CG GLU A 80 21.378 -2.502 -5.218 1.00 0.00 C ATOM 1223 CD GLU A 80 22.134 -1.565 -6.160 1.00 0.00 C ATOM 1224 OE1 GLU A 80 21.542 -1.131 -7.134 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.294 -1.296 -5.892 1.00 0.00 O ATOM 0 H GLU A 80 17.824 -0.993 -3.998 1.00 0.00 H new ATOM 0 HA GLU A 80 18.641 -2.719 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.025 -0.818 -5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.334 -1.550 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.035 -2.835 -4.415 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.055 -3.393 -5.756 1.00 0.00 H new ATOM 1232 N LEU A 81 19.675 -4.159 -3.053 1.00 0.00 N ATOM 1233 CA LEU A 81 19.985 -5.508 -2.500 1.00 0.00 C ATOM 1234 C LEU A 81 19.217 -5.722 -1.196 1.00 0.00 C ATOM 1235 O LEU A 81 19.724 -6.302 -0.256 1.00 0.00 O ATOM 1236 CB LEU A 81 21.487 -5.614 -2.230 1.00 0.00 C ATOM 1237 CG LEU A 81 22.001 -6.969 -2.722 1.00 0.00 C ATOM 1238 CD1 LEU A 81 21.152 -8.088 -2.117 1.00 0.00 C ATOM 1239 CD2 LEU A 81 21.905 -7.026 -4.248 1.00 0.00 C ATOM 0 H LEU A 81 19.851 -3.378 -2.421 1.00 0.00 H new ATOM 0 HA LEU A 81 19.688 -6.270 -3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.016 -4.807 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.684 -5.504 -1.164 1.00 0.00 H new ATOM 0 HG LEU A 81 23.040 -7.096 -2.417 1.00 0.00 H new ATOM 0 HD11 LEU A 81 21.518 -9.053 -2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 81 21.219 -8.048 -1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.113 -7.962 -2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 81 22.271 -7.991 -4.600 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.866 -6.899 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.510 -6.229 -4.681 1.00 0.00 H new ATOM 1251 N GLY A 82 17.997 -5.263 -1.127 1.00 0.00 N ATOM 1252 CA GLY A 82 17.207 -5.452 0.124 1.00 0.00 C ATOM 1253 C GLY A 82 15.729 -5.620 -0.224 1.00 0.00 C ATOM 1254 O GLY A 82 15.349 -5.607 -1.378 1.00 0.00 O ATOM 0 H GLY A 82 17.515 -4.768 -1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.566 -6.328 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.341 -4.595 0.784 1.00 0.00 H new ATOM 1258 N GLU A 83 14.889 -5.776 0.763 1.00 0.00 N ATOM 1259 CA GLU A 83 13.438 -5.942 0.476 1.00 0.00 C ATOM 1260 C GLU A 83 12.625 -5.762 1.759 1.00 0.00 C ATOM 1261 O GLU A 83 13.000 -6.220 2.820 1.00 0.00 O ATOM 1262 CB GLU A 83 13.182 -7.337 -0.092 1.00 0.00 C ATOM 1263 CG GLU A 83 13.625 -8.394 0.922 1.00 0.00 C ATOM 1264 CD GLU A 83 13.703 -9.758 0.235 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.850 -10.032 -0.594 1.00 0.00 O ATOM 1266 OE2 GLU A 83 14.614 -10.506 0.549 1.00 0.00 O ATOM 0 H GLU A 83 15.144 -5.795 1.750 1.00 0.00 H new ATOM 0 HA GLU A 83 13.134 -5.189 -0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.123 -7.459 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.727 -7.465 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.597 -8.129 1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.921 -8.433 1.753 1.00 0.00 H new ATOM 1273 N ASP A 84 11.506 -5.102 1.659 1.00 0.00 N ATOM 1274 CA ASP A 84 10.641 -4.886 2.851 1.00 0.00 C ATOM 1275 C ASP A 84 9.203 -4.693 2.369 1.00 0.00 C ATOM 1276 O ASP A 84 8.972 -4.309 1.241 1.00 0.00 O ATOM 1277 CB ASP A 84 11.111 -3.643 3.607 1.00 0.00 C ATOM 1278 CG ASP A 84 12.505 -3.896 4.183 1.00 0.00 C ATOM 1279 OD1 ASP A 84 13.444 -3.955 3.406 1.00 0.00 O ATOM 1280 OD2 ASP A 84 12.611 -4.025 5.391 1.00 0.00 O ATOM 0 H ASP A 84 11.150 -4.699 0.792 1.00 0.00 H new ATOM 0 HA ASP A 84 10.697 -5.743 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.133 -2.783 2.937 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.412 -3.405 4.409 1.00 0.00 H new ATOM 1285 N GLU A 85 8.231 -4.972 3.193 1.00 0.00 N ATOM 1286 CA GLU A 85 6.827 -4.814 2.734 1.00 0.00 C ATOM 1287 C GLU A 85 5.899 -4.506 3.913 1.00 0.00 C ATOM 1288 O GLU A 85 6.307 -4.473 5.057 1.00 0.00 O ATOM 1289 CB GLU A 85 6.390 -6.117 2.060 1.00 0.00 C ATOM 1290 CG GLU A 85 6.025 -7.161 3.121 1.00 0.00 C ATOM 1291 CD GLU A 85 6.686 -8.495 2.773 1.00 0.00 C ATOM 1292 OE1 GLU A 85 7.846 -8.478 2.394 1.00 0.00 O ATOM 1293 OE2 GLU A 85 6.022 -9.512 2.891 1.00 0.00 O ATOM 0 H GLU A 85 8.347 -5.298 4.152 1.00 0.00 H new ATOM 0 HA GLU A 85 6.768 -3.982 2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.534 -5.931 1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.193 -6.495 1.427 1.00 0.00 H new ATOM 0 HG2 GLU A 85 6.354 -6.826 4.105 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.943 -7.281 3.171 1.00 0.00 H new ATOM 1300 N ALA A 86 4.646 -4.288 3.624 1.00 0.00 N ATOM 1301 CA ALA A 86 3.654 -3.990 4.690 1.00 0.00 C ATOM 1302 C ALA A 86 2.291 -4.530 4.250 1.00 0.00 C ATOM 1303 O ALA A 86 1.874 -4.346 3.119 1.00 0.00 O ATOM 1304 CB ALA A 86 3.564 -2.477 4.897 1.00 0.00 C ATOM 0 H ALA A 86 4.264 -4.304 2.679 1.00 0.00 H new ATOM 0 HA ALA A 86 3.957 -4.459 5.626 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.836 -2.259 5.679 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.540 -2.091 5.192 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.252 -2.001 3.968 1.00 0.00 H new ATOM 1310 N ILE A 87 1.598 -5.207 5.124 1.00 0.00 N ATOM 1311 CA ILE A 87 0.270 -5.768 4.745 1.00 0.00 C ATOM 1312 C ILE A 87 -0.833 -4.771 5.107 1.00 0.00 C ATOM 1313 O ILE A 87 -0.858 -4.220 6.190 1.00 0.00 O ATOM 1314 CB ILE A 87 0.029 -7.085 5.492 1.00 0.00 C ATOM 1315 CG1 ILE A 87 1.369 -7.733 5.853 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.767 -8.037 4.599 1.00 0.00 C ATOM 1317 CD1 ILE A 87 1.746 -7.361 7.288 1.00 0.00 C ATOM 0 H ILE A 87 1.893 -5.396 6.082 1.00 0.00 H new ATOM 0 HA ILE A 87 0.256 -5.953 3.671 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.530 -6.881 6.405 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.300 -8.816 5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.144 -7.398 5.164 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.939 -8.974 5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.725 -7.582 4.345 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.205 -8.234 3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.700 -7.822 7.545 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.832 -6.278 7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.975 -7.718 7.971 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.750 -4.543 4.208 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.861 -3.592 4.493 1.00 0.00 C ATOM 1331 C PHE A 88 -4.185 -4.228 4.063 1.00 0.00 C ATOM 1332 O PHE A 88 -4.592 -4.123 2.924 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.651 -2.290 3.712 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.309 -1.691 4.059 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.073 -1.198 5.348 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.301 -1.626 3.091 1.00 0.00 C ATOM 1337 CE1 PHE A 88 0.170 -0.641 5.667 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.943 -1.069 3.410 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.179 -0.577 4.699 1.00 0.00 C ATOM 0 H PHE A 88 -1.778 -4.976 3.285 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.880 -3.370 5.560 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.705 -2.486 2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.446 -1.583 3.947 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -1.850 -1.248 6.096 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.483 -2.006 2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.351 -0.260 6.661 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.720 -1.019 2.662 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.139 -0.148 4.946 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.864 -4.881 4.964 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.162 -5.514 4.598 1.00 0.00 C ATOM 1351 C GLU A 89 -7.232 -4.425 4.564 1.00 0.00 C ATOM 1352 O GLU A 89 -7.654 -3.928 5.586 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.523 -6.571 5.647 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.999 -6.950 5.515 1.00 0.00 C ATOM 1355 CD GLU A 89 -8.212 -8.364 6.057 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -7.434 -8.777 6.901 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -9.150 -9.010 5.620 1.00 0.00 O ATOM 0 H GLU A 89 -4.578 -5.004 5.935 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.092 -5.995 3.623 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.898 -7.455 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.325 -6.186 6.647 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.618 -6.241 6.065 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.307 -6.899 4.471 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.653 -4.028 3.394 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.668 -2.944 3.301 1.00 0.00 C ATOM 1366 C VAL A 90 -10.061 -3.527 3.070 1.00 0.00 C ATOM 1367 O VAL A 90 -10.272 -4.330 2.183 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.300 -2.024 2.137 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.269 -0.842 2.084 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.873 -1.507 2.334 1.00 0.00 C ATOM 0 H VAL A 90 -7.338 -4.407 2.501 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.680 -2.385 4.236 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.363 -2.580 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.002 -0.190 1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.285 -1.211 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.211 -0.282 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.606 -0.850 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.813 -0.953 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.182 -2.349 2.366 1.00 0.00 H new ATOM 1380 N ILE A 91 -11.018 -3.113 3.855 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.404 -3.623 3.675 1.00 0.00 C ATOM 1382 C ILE A 91 -13.335 -2.443 3.393 1.00 0.00 C ATOM 1383 O ILE A 91 -12.980 -1.297 3.594 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.869 -4.343 4.941 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.154 -5.691 5.054 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.378 -4.575 4.859 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -10.738 -5.475 5.586 1.00 0.00 C ATOM 0 H ILE A 91 -10.898 -2.442 4.614 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.424 -4.325 2.841 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.636 -3.735 5.815 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.707 -6.353 5.720 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.117 -6.178 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.717 -5.088 5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.889 -3.616 4.774 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.605 -5.186 3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.229 -6.436 5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.187 -4.829 4.903 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.786 -5.007 6.569 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.522 -2.713 2.923 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.467 -1.605 2.622 1.00 0.00 C ATOM 1401 C VAL A 92 -16.835 -1.907 3.235 1.00 0.00 C ATOM 1402 O VAL A 92 -17.356 -2.997 3.112 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.597 -1.462 1.109 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.278 -0.134 0.776 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.200 -1.491 0.489 1.00 0.00 C ATOM 0 H VAL A 92 -14.876 -3.651 2.735 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.090 -0.675 3.048 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.197 -2.280 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.370 -0.033 -0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.269 -0.110 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.681 0.689 1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.280 -1.390 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.608 -0.667 0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.715 -2.437 0.730 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.420 -0.946 3.895 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.755 -1.173 4.517 1.00 0.00 C ATOM 1417 C GLN A 93 -19.800 -0.306 3.811 1.00 0.00 C ATOM 1418 O GLN A 93 -20.733 0.119 4.473 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.698 -0.797 5.999 1.00 0.00 C ATOM 1420 CG GLN A 93 -17.922 -1.867 6.769 1.00 0.00 C ATOM 1421 CD GLN A 93 -18.322 -1.826 8.244 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -19.282 -2.455 8.643 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -17.622 -1.107 9.078 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.650 -0.082 2.622 1.00 0.00 O ATOM 0 H GLN A 93 -17.031 -0.013 4.031 1.00 0.00 H new ATOM 0 HA GLN A 93 -19.028 -2.224 4.419 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -18.217 0.174 6.120 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.707 -0.705 6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -18.130 -2.852 6.352 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -16.850 -1.698 6.667 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -16.816 -0.579 8.744 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -17.881 -1.073 10.064 1.00 0.00 H new TER 1433 GLN A 93