USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 539 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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -94:sc= -0.405 USER MOD Single : A 11 THR OG1 : rot 126:sc= -2! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 72:sc= 0.413 USER MOD Single : A 18 LYS NZ :NH3+ -170:sc= -0.102 (180deg=-0.214) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 63:sc= 0.501 USER MOD Single : A 29 LYS NZ :NH3+ -154:sc= -1.46 (180deg=-3.28!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -14:sc= -3.39! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -8.11! C(o=-8.1!,f=-9.7!) USER MOD Single : A 43 ASN :FLIP amide:sc= -0.854 F(o=-2.9,f=-0.85) USER MOD Single : A 44 SER OG : rot -17:sc= 0.293 USER MOD Single : A 47 LYS NZ :NH3+ 162:sc=-0.00684 (180deg=-0.138) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.738 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -154:sc= -1.38! USER MOD Single : A 61 GLN : amide:sc= -3.21 X(o=-3.2,f=-3.6) USER MOD Single : A 62 THR OG1 : rot -68:sc= 1.02 USER MOD Single : A 70 SER OG : rot 156:sc= 0.023 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0919 USER MOD Single : A 75 LYS NZ :NH3+ -157:sc=-0.00184 (180deg=-0.374) USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 4 11.285 3.137 9.067 1.00 0.00 N ATOM 38 CA PRO A 4 11.159 4.031 7.897 1.00 0.00 C ATOM 39 C PRO A 4 11.095 3.201 6.612 1.00 0.00 C ATOM 40 O PRO A 4 11.397 3.678 5.536 1.00 0.00 O ATOM 41 CB PRO A 4 12.429 4.880 7.926 1.00 0.00 C ATOM 42 CG PRO A 4 13.466 4.075 8.733 1.00 0.00 C ATOM 43 CD PRO A 4 12.676 3.056 9.571 1.00 0.00 C ATOM 0 HA PRO A 4 10.256 4.641 7.927 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.789 5.076 6.916 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.240 5.848 8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.167 3.570 8.068 1.00 0.00 H new ATOM 0 HG3 PRO A 4 14.053 4.732 9.375 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.080 2.051 9.453 1.00 0.00 H new ATOM 0 HD3 PRO A 4 12.725 3.296 10.633 1.00 0.00 H new ATOM 51 N SER A 5 10.712 1.959 6.721 1.00 0.00 N ATOM 52 CA SER A 5 10.633 1.087 5.518 1.00 0.00 C ATOM 53 C SER A 5 9.255 0.454 5.434 1.00 0.00 C ATOM 54 O SER A 5 8.553 0.356 6.419 1.00 0.00 O ATOM 55 CB SER A 5 11.677 -0.015 5.628 1.00 0.00 C ATOM 56 OG SER A 5 12.905 0.439 5.075 1.00 0.00 O ATOM 0 H SER A 5 10.449 1.509 7.598 1.00 0.00 H new ATOM 0 HA SER A 5 10.815 1.686 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.817 -0.295 6.672 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.337 -0.907 5.102 1.00 0.00 H new ATOM 0 HG SER A 5 13.578 -0.270 5.147 1.00 0.00 H new ATOM 62 N VAL A 6 8.895 0.022 4.251 1.00 0.00 N ATOM 63 CA VAL A 6 7.575 -0.634 3.995 1.00 0.00 C ATOM 64 C VAL A 6 6.670 -0.560 5.235 1.00 0.00 C ATOM 65 O VAL A 6 6.856 -1.264 6.202 1.00 0.00 O ATOM 66 CB VAL A 6 7.813 -2.082 3.526 1.00 0.00 C ATOM 67 CG1 VAL A 6 9.250 -2.243 3.027 1.00 0.00 C ATOM 68 CG2 VAL A 6 7.567 -3.099 4.650 1.00 0.00 C ATOM 0 H VAL A 6 9.484 0.100 3.422 1.00 0.00 H new ATOM 0 HA VAL A 6 7.048 -0.101 3.203 1.00 0.00 H new ATOM 0 HB VAL A 6 7.105 -2.277 2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.408 -3.270 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.424 -1.564 2.192 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.944 -2.010 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.746 -4.107 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 6 8.244 -2.895 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.536 -3.018 4.994 1.00 0.00 H new ATOM 78 N THR A 7 5.738 0.353 5.184 1.00 0.00 N ATOM 79 CA THR A 7 4.781 0.651 6.299 1.00 0.00 C ATOM 80 C THR A 7 4.844 2.160 6.429 1.00 0.00 C ATOM 81 O THR A 7 3.852 2.848 6.563 1.00 0.00 O ATOM 82 CB THR A 7 5.180 0.010 7.638 1.00 0.00 C ATOM 83 OG1 THR A 7 6.570 0.187 7.869 1.00 0.00 O ATOM 84 CG2 THR A 7 4.824 -1.481 7.629 1.00 0.00 C ATOM 0 H THR A 7 5.592 0.941 4.364 1.00 0.00 H new ATOM 0 HA THR A 7 3.792 0.251 6.075 1.00 0.00 H new ATOM 0 HB THR A 7 4.630 0.496 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.058 -0.599 7.546 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.109 -1.929 8.581 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.751 -1.598 7.480 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.359 -1.978 6.819 1.00 0.00 H new ATOM 92 N GLU A 8 6.039 2.668 6.308 1.00 0.00 N ATOM 93 CA GLU A 8 6.262 4.131 6.328 1.00 0.00 C ATOM 94 C GLU A 8 6.408 4.569 4.865 1.00 0.00 C ATOM 95 O GLU A 8 6.364 5.738 4.540 1.00 0.00 O ATOM 96 CB GLU A 8 7.552 4.438 7.094 1.00 0.00 C ATOM 97 CG GLU A 8 7.212 4.876 8.521 1.00 0.00 C ATOM 98 CD GLU A 8 6.439 6.196 8.479 1.00 0.00 C ATOM 99 OE1 GLU A 8 6.489 6.858 7.455 1.00 0.00 O ATOM 100 OE2 GLU A 8 5.811 6.524 9.473 1.00 0.00 O ATOM 0 H GLU A 8 6.887 2.112 6.194 1.00 0.00 H new ATOM 0 HA GLU A 8 5.440 4.656 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.192 3.556 7.117 1.00 0.00 H new ATOM 0 HB3 GLU A 8 8.110 5.224 6.585 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.616 4.109 9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.125 4.996 9.104 1.00 0.00 H new ATOM 107 N LEU A 9 6.579 3.608 3.981 1.00 0.00 N ATOM 108 CA LEU A 9 6.728 3.910 2.530 1.00 0.00 C ATOM 109 C LEU A 9 5.356 3.823 1.861 1.00 0.00 C ATOM 110 O LEU A 9 4.910 4.743 1.204 1.00 0.00 O ATOM 111 CB LEU A 9 7.650 2.860 1.885 1.00 0.00 C ATOM 112 CG LEU A 9 9.053 2.833 2.528 1.00 0.00 C ATOM 113 CD1 LEU A 9 10.103 3.114 1.454 1.00 0.00 C ATOM 114 CD2 LEU A 9 9.190 3.879 3.641 1.00 0.00 C ATOM 0 H LEU A 9 6.621 2.616 4.215 1.00 0.00 H new ATOM 0 HA LEU A 9 7.150 4.907 2.406 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.193 1.875 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.746 3.070 0.820 1.00 0.00 H new ATOM 0 HG LEU A 9 9.201 1.847 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.096 3.096 1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.042 2.352 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.921 4.095 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.192 3.827 4.068 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.022 4.874 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.453 3.680 4.420 1.00 0.00 H new ATOM 126 N ILE A 10 4.681 2.718 2.033 1.00 0.00 N ATOM 127 CA ILE A 10 3.337 2.558 1.424 1.00 0.00 C ATOM 128 C ILE A 10 2.448 3.655 1.985 1.00 0.00 C ATOM 129 O ILE A 10 1.930 4.491 1.273 1.00 0.00 O ATOM 130 CB ILE A 10 2.779 1.184 1.809 1.00 0.00 C ATOM 131 CG1 ILE A 10 3.646 0.081 1.179 1.00 0.00 C ATOM 132 CG2 ILE A 10 1.333 1.053 1.329 1.00 0.00 C ATOM 133 CD1 ILE A 10 3.275 -0.111 -0.295 1.00 0.00 C ATOM 0 H ILE A 10 5.008 1.917 2.573 1.00 0.00 H new ATOM 0 HA ILE A 10 3.383 2.629 0.337 1.00 0.00 H new ATOM 0 HB ILE A 10 2.799 1.079 2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.700 0.345 1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.507 -0.854 1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.945 0.073 1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.724 1.829 1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.298 1.163 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.897 -0.895 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.226 -0.396 -0.372 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.438 0.821 -0.836 1.00 0.00 H new ATOM 145 N THR A 11 2.299 3.673 3.273 1.00 0.00 N ATOM 146 CA THR A 11 1.481 4.724 3.914 1.00 0.00 C ATOM 147 C THR A 11 2.080 6.083 3.559 1.00 0.00 C ATOM 148 O THR A 11 1.406 7.091 3.575 1.00 0.00 O ATOM 149 CB THR A 11 1.514 4.509 5.425 1.00 0.00 C ATOM 150 OG1 THR A 11 1.706 3.127 5.696 1.00 0.00 O ATOM 151 CG2 THR A 11 0.197 4.968 6.034 1.00 0.00 C ATOM 0 H THR A 11 2.714 2.997 3.914 1.00 0.00 H new ATOM 0 HA THR A 11 0.448 4.683 3.568 1.00 0.00 H new ATOM 0 HB THR A 11 2.331 5.085 5.859 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.481 3.014 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.222 4.814 7.113 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.047 6.027 5.822 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.623 4.393 5.604 1.00 0.00 H new ATOM 159 N LYS A 12 3.338 6.117 3.209 1.00 0.00 N ATOM 160 CA LYS A 12 3.951 7.415 2.822 1.00 0.00 C ATOM 161 C LYS A 12 3.017 8.080 1.817 1.00 0.00 C ATOM 162 O LYS A 12 2.736 9.260 1.888 1.00 0.00 O ATOM 163 CB LYS A 12 5.314 7.170 2.172 1.00 0.00 C ATOM 164 CG LYS A 12 6.219 8.380 2.408 1.00 0.00 C ATOM 165 CD LYS A 12 6.313 8.660 3.908 1.00 0.00 C ATOM 166 CE LYS A 12 7.775 8.892 4.293 1.00 0.00 C ATOM 167 NZ LYS A 12 8.187 10.260 3.871 1.00 0.00 N ATOM 0 H LYS A 12 3.960 5.310 3.175 1.00 0.00 H new ATOM 0 HA LYS A 12 4.093 8.049 3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.772 6.274 2.590 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.193 6.997 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.212 8.191 1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.822 9.252 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.715 9.535 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.906 7.820 4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.901 8.778 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.411 8.146 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.181 10.419 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.081 10.352 2.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.587 10.965 4.345 1.00 0.00 H new ATOM 181 N ALA A 13 2.517 7.308 0.893 1.00 0.00 N ATOM 182 CA ALA A 13 1.576 7.851 -0.119 1.00 0.00 C ATOM 183 C ALA A 13 0.154 7.735 0.432 1.00 0.00 C ATOM 184 O ALA A 13 -0.750 8.425 0.005 1.00 0.00 O ATOM 185 CB ALA A 13 1.693 7.036 -1.409 1.00 0.00 C ATOM 0 H ALA A 13 2.724 6.314 0.797 1.00 0.00 H new ATOM 0 HA ALA A 13 1.811 8.894 -0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.003 7.433 -2.154 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.713 7.100 -1.789 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.447 5.994 -1.205 1.00 0.00 H new ATOM 191 N VAL A 14 -0.046 6.860 1.384 1.00 0.00 N ATOM 192 CA VAL A 14 -1.404 6.690 1.971 1.00 0.00 C ATOM 193 C VAL A 14 -1.463 7.359 3.344 1.00 0.00 C ATOM 194 O VAL A 14 -2.241 6.982 4.198 1.00 0.00 O ATOM 195 CB VAL A 14 -1.731 5.206 2.112 1.00 0.00 C ATOM 196 CG1 VAL A 14 -3.239 5.008 1.964 1.00 0.00 C ATOM 197 CG2 VAL A 14 -1.008 4.417 1.021 1.00 0.00 C ATOM 0 H VAL A 14 0.675 6.256 1.779 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.135 7.156 1.310 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.407 4.852 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.478 3.949 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.758 5.572 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.558 5.361 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.242 3.357 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.333 4.768 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.068 4.562 1.119 1.00 0.00 H new ATOM 207 N SER A 15 -0.648 8.352 3.561 1.00 0.00 N ATOM 208 CA SER A 15 -0.654 9.051 4.876 1.00 0.00 C ATOM 209 C SER A 15 -1.169 10.479 4.685 1.00 0.00 C ATOM 210 O SER A 15 -1.789 11.049 5.561 1.00 0.00 O ATOM 211 CB SER A 15 0.767 9.091 5.438 1.00 0.00 C ATOM 212 OG SER A 15 0.766 9.807 6.666 1.00 0.00 O ATOM 0 H SER A 15 0.024 8.711 2.883 1.00 0.00 H new ATOM 0 HA SER A 15 -1.303 8.518 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.137 8.078 5.595 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.439 9.569 4.725 1.00 0.00 H new ATOM 0 HG SER A 15 1.675 9.833 7.030 1.00 0.00 H new ATOM 218 N ALA A 16 -0.918 11.060 3.543 1.00 0.00 N ATOM 219 CA ALA A 16 -1.392 12.449 3.291 1.00 0.00 C ATOM 220 C ALA A 16 -2.551 12.418 2.291 1.00 0.00 C ATOM 221 O ALA A 16 -3.518 13.141 2.425 1.00 0.00 O ATOM 222 CB ALA A 16 -0.244 13.282 2.716 1.00 0.00 C ATOM 0 H ALA A 16 -0.404 10.631 2.773 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.731 12.894 4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.590 14.299 2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.582 13.303 3.427 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.094 12.838 1.780 1.00 0.00 H new ATOM 228 N SER A 17 -2.462 11.585 1.289 1.00 0.00 N ATOM 229 CA SER A 17 -3.562 11.509 0.284 1.00 0.00 C ATOM 230 C SER A 17 -3.069 10.774 -0.964 1.00 0.00 C ATOM 231 O SER A 17 -1.905 10.445 -1.085 1.00 0.00 O ATOM 232 CB SER A 17 -4.001 12.922 -0.099 1.00 0.00 C ATOM 233 OG SER A 17 -5.306 13.163 0.411 1.00 0.00 O ATOM 0 H SER A 17 -1.677 10.955 1.123 1.00 0.00 H new ATOM 0 HA SER A 17 -4.406 10.968 0.713 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.300 13.654 0.302 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.995 13.036 -1.183 1.00 0.00 H new ATOM 0 HG SER A 17 -5.263 13.266 1.385 1.00 0.00 H new ATOM 239 N LYS A 18 -3.947 10.516 -1.895 1.00 0.00 N ATOM 240 CA LYS A 18 -3.533 9.803 -3.137 1.00 0.00 C ATOM 241 C LYS A 18 -4.775 9.443 -3.956 1.00 0.00 C ATOM 242 O LYS A 18 -4.752 9.447 -5.171 1.00 0.00 O ATOM 243 CB LYS A 18 -2.780 8.526 -2.762 1.00 0.00 C ATOM 244 CG LYS A 18 -3.563 7.769 -1.689 1.00 0.00 C ATOM 245 CD LYS A 18 -2.880 6.429 -1.406 1.00 0.00 C ATOM 246 CE LYS A 18 -3.937 5.327 -1.319 1.00 0.00 C ATOM 247 NZ LYS A 18 -3.527 4.176 -2.173 1.00 0.00 N ATOM 0 H LYS A 18 -4.934 10.769 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.883 10.448 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.648 7.897 -3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.784 8.773 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.615 8.362 -0.776 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.588 7.604 -2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.164 6.200 -2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.319 6.484 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.055 5.003 -0.285 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.904 5.709 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.316 3.503 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.272 4.520 -3.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.707 3.701 -1.745 1.00 0.00 H new ATOM 261 N GLU A 19 -5.860 9.132 -3.299 1.00 0.00 N ATOM 262 CA GLU A 19 -7.105 8.772 -4.036 1.00 0.00 C ATOM 263 C GLU A 19 -8.170 8.314 -3.036 1.00 0.00 C ATOM 264 O GLU A 19 -7.862 7.758 -2.000 1.00 0.00 O ATOM 265 CB GLU A 19 -6.807 7.640 -5.024 1.00 0.00 C ATOM 266 CG GLU A 19 -6.838 8.188 -6.453 1.00 0.00 C ATOM 267 CD GLU A 19 -8.065 7.645 -7.190 1.00 0.00 C ATOM 268 OE1 GLU A 19 -8.798 6.872 -6.595 1.00 0.00 O ATOM 269 OE2 GLU A 19 -8.251 8.012 -8.339 1.00 0.00 O ATOM 0 H GLU A 19 -5.938 9.112 -2.282 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.469 9.641 -4.584 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.831 7.205 -4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.542 6.843 -4.913 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.866 9.277 -6.434 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.929 7.902 -6.982 1.00 0.00 H new ATOM 276 N ARG A 20 -9.420 8.543 -3.335 1.00 0.00 N ATOM 277 CA ARG A 20 -10.499 8.120 -2.396 1.00 0.00 C ATOM 278 C ARG A 20 -10.748 6.616 -2.542 1.00 0.00 C ATOM 279 O ARG A 20 -11.571 6.045 -1.856 1.00 0.00 O ATOM 280 CB ARG A 20 -11.785 8.884 -2.721 1.00 0.00 C ATOM 281 CG ARG A 20 -12.800 8.683 -1.593 1.00 0.00 C ATOM 282 CD ARG A 20 -12.491 9.652 -0.449 1.00 0.00 C ATOM 283 NE ARG A 20 -13.482 9.460 0.646 1.00 0.00 N ATOM 284 CZ ARG A 20 -13.097 8.990 1.801 1.00 0.00 C ATOM 285 NH1 ARG A 20 -12.020 9.459 2.370 1.00 0.00 N ATOM 286 NH2 ARG A 20 -13.789 8.052 2.388 1.00 0.00 N ATOM 0 H ARG A 20 -9.741 9.004 -4.187 1.00 0.00 H new ATOM 0 HA ARG A 20 -10.194 8.338 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.568 9.945 -2.844 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.201 8.532 -3.665 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -13.811 8.853 -1.964 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -12.761 7.655 -1.233 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -11.482 9.480 -0.075 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.526 10.680 -0.810 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.462 9.696 0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.479 10.193 1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.719 9.092 3.273 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.631 7.686 1.944 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.488 7.685 3.291 1.00 0.00 H new ATOM 300 N LYS A 21 -10.044 5.970 -3.430 1.00 0.00 N ATOM 301 CA LYS A 21 -10.242 4.504 -3.617 1.00 0.00 C ATOM 302 C LYS A 21 -8.917 3.862 -4.028 1.00 0.00 C ATOM 303 O LYS A 21 -8.889 2.921 -4.797 1.00 0.00 O ATOM 304 CB LYS A 21 -11.279 4.268 -4.718 1.00 0.00 C ATOM 305 CG LYS A 21 -12.656 4.048 -4.091 1.00 0.00 C ATOM 306 CD LYS A 21 -13.734 4.608 -5.021 1.00 0.00 C ATOM 307 CE LYS A 21 -14.632 3.469 -5.508 1.00 0.00 C ATOM 308 NZ LYS A 21 -15.799 4.036 -6.242 1.00 0.00 N ATOM 0 H LYS A 21 -9.340 6.393 -4.035 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.590 4.062 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.308 5.124 -5.392 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.998 3.401 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.824 2.985 -3.920 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.708 4.539 -3.119 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.329 5.355 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.271 5.109 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.069 2.801 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.975 2.875 -4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.410 3.262 -6.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.340 4.657 -5.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.462 4.585 -7.059 1.00 0.00 H new ATOM 322 N GLY A 22 -7.818 4.367 -3.533 1.00 0.00 N ATOM 323 CA GLY A 22 -6.495 3.790 -3.913 1.00 0.00 C ATOM 324 C GLY A 22 -6.480 3.560 -5.423 1.00 0.00 C ATOM 325 O GLY A 22 -7.353 4.016 -6.135 1.00 0.00 O ATOM 0 H GLY A 22 -7.779 5.152 -2.883 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.690 4.467 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.326 2.851 -3.386 1.00 0.00 H new ATOM 329 N LEU A 23 -5.497 2.873 -5.926 1.00 0.00 N ATOM 330 CA LEU A 23 -5.438 2.642 -7.395 1.00 0.00 C ATOM 331 C LEU A 23 -5.556 1.144 -7.686 1.00 0.00 C ATOM 332 O LEU A 23 -6.579 0.663 -8.132 1.00 0.00 O ATOM 333 CB LEU A 23 -4.102 3.165 -7.931 1.00 0.00 C ATOM 334 CG LEU A 23 -4.145 4.693 -8.071 1.00 0.00 C ATOM 335 CD1 LEU A 23 -4.931 5.072 -9.326 1.00 0.00 C ATOM 336 CD2 LEU A 23 -4.818 5.318 -6.846 1.00 0.00 C ATOM 0 H LEU A 23 -4.734 2.462 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.260 3.167 -7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.295 2.877 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.887 2.710 -8.898 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.124 5.067 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.960 6.157 -9.423 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.446 4.642 -10.203 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.948 4.687 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.842 6.402 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.836 4.939 -6.758 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.255 5.058 -5.949 1.00 0.00 H new ATOM 348 N SER A 24 -4.511 0.407 -7.438 1.00 0.00 N ATOM 349 CA SER A 24 -4.542 -1.060 -7.697 1.00 0.00 C ATOM 350 C SER A 24 -3.139 -1.619 -7.475 1.00 0.00 C ATOM 351 O SER A 24 -2.511 -2.129 -8.381 1.00 0.00 O ATOM 352 CB SER A 24 -4.972 -1.319 -9.142 1.00 0.00 C ATOM 353 OG SER A 24 -6.285 -1.862 -9.151 1.00 0.00 O ATOM 0 H SER A 24 -3.630 0.760 -7.064 1.00 0.00 H new ATOM 0 HA SER A 24 -5.251 -1.543 -7.024 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.946 -0.391 -9.713 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.278 -2.008 -9.622 1.00 0.00 H new ATOM 0 HG SER A 24 -6.913 -1.206 -8.783 1.00 0.00 H new ATOM 359 N LEU A 25 -2.639 -1.513 -6.276 1.00 0.00 N ATOM 360 CA LEU A 25 -1.269 -2.020 -5.989 1.00 0.00 C ATOM 361 C LEU A 25 -0.333 -1.602 -7.128 1.00 0.00 C ATOM 362 O LEU A 25 0.661 -2.248 -7.392 1.00 0.00 O ATOM 363 CB LEU A 25 -1.266 -3.554 -5.890 1.00 0.00 C ATOM 364 CG LEU A 25 -2.654 -4.091 -5.512 1.00 0.00 C ATOM 365 CD1 LEU A 25 -3.090 -5.135 -6.542 1.00 0.00 C ATOM 366 CD2 LEU A 25 -2.585 -4.745 -4.130 1.00 0.00 C ATOM 0 H LEU A 25 -3.122 -1.096 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.934 -1.601 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.955 -3.982 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.536 -3.871 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.371 -3.270 -5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.075 -5.519 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.133 -4.676 -7.530 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.373 -5.956 -6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.569 -5.127 -3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.870 -5.567 -4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.267 -4.007 -3.394 1.00 0.00 H new ATOM 378 N ALA A 26 -0.646 -0.534 -7.814 1.00 0.00 N ATOM 379 CA ALA A 26 0.229 -0.095 -8.940 1.00 0.00 C ATOM 380 C ALA A 26 0.528 1.403 -8.821 1.00 0.00 C ATOM 381 O ALA A 26 1.252 1.967 -9.616 1.00 0.00 O ATOM 382 CB ALA A 26 -0.476 -0.373 -10.269 1.00 0.00 C ATOM 0 H ALA A 26 -1.465 0.050 -7.644 1.00 0.00 H new ATOM 0 HA ALA A 26 1.168 -0.648 -8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.162 -0.053 -11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.676 -1.441 -10.358 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.417 0.176 -10.304 1.00 0.00 H new ATOM 388 N ALA A 27 -0.012 2.050 -7.831 1.00 0.00 N ATOM 389 CA ALA A 27 0.261 3.504 -7.658 1.00 0.00 C ATOM 390 C ALA A 27 0.928 3.702 -6.303 1.00 0.00 C ATOM 391 O ALA A 27 2.101 4.001 -6.212 1.00 0.00 O ATOM 392 CB ALA A 27 -1.047 4.286 -7.702 1.00 0.00 C ATOM 0 H ALA A 27 -0.631 1.637 -7.133 1.00 0.00 H new ATOM 0 HA ALA A 27 0.909 3.862 -8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.840 5.349 -7.575 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.536 4.124 -8.663 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.702 3.945 -6.900 1.00 0.00 H new ATOM 398 N LEU A 28 0.189 3.517 -5.246 1.00 0.00 N ATOM 399 CA LEU A 28 0.789 3.666 -3.891 1.00 0.00 C ATOM 400 C LEU A 28 1.945 2.702 -3.763 1.00 0.00 C ATOM 401 O LEU A 28 2.950 3.007 -3.180 1.00 0.00 O ATOM 402 CB LEU A 28 -0.244 3.278 -2.786 1.00 0.00 C ATOM 403 CG LEU A 28 0.393 2.271 -1.767 1.00 0.00 C ATOM 404 CD1 LEU A 28 1.548 2.957 -1.043 1.00 0.00 C ATOM 405 CD2 LEU A 28 -0.609 1.828 -0.718 1.00 0.00 C ATOM 0 H LEU A 28 -0.801 3.270 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 28 1.103 4.702 -3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.577 4.173 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.126 2.831 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 28 0.731 1.400 -2.329 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.996 2.262 -0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.299 3.268 -1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.175 3.831 -0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.131 1.131 -0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.965 2.697 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.452 1.337 -1.204 1.00 0.00 H new ATOM 417 N LYS A 29 1.730 1.511 -4.222 1.00 0.00 N ATOM 418 CA LYS A 29 2.717 0.431 -4.050 1.00 0.00 C ATOM 419 C LYS A 29 3.723 0.438 -5.194 1.00 0.00 C ATOM 420 O LYS A 29 4.555 -0.437 -5.315 1.00 0.00 O ATOM 421 CB LYS A 29 1.942 -0.891 -3.911 1.00 0.00 C ATOM 422 CG LYS A 29 1.175 -0.854 -2.558 1.00 0.00 C ATOM 423 CD LYS A 29 -0.364 -0.783 -2.771 1.00 0.00 C ATOM 424 CE LYS A 29 -0.777 0.231 -3.834 1.00 0.00 C ATOM 425 NZ LYS A 29 -2.258 0.208 -3.982 1.00 0.00 N ATOM 0 H LYS A 29 0.885 1.236 -4.724 1.00 0.00 H new ATOM 0 HA LYS A 29 3.313 0.572 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.246 -1.015 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.626 -1.739 -3.939 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.421 -1.742 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.502 0.009 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.731 -1.769 -3.057 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.844 -0.526 -1.827 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.443 1.229 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.301 -0.007 -4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.516 0.524 -4.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.607 -0.760 -3.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.687 0.844 -3.280 1.00 0.00 H new ATOM 439 N LYS A 30 3.693 1.472 -5.989 1.00 0.00 N ATOM 440 CA LYS A 30 4.687 1.609 -7.079 1.00 0.00 C ATOM 441 C LYS A 30 5.513 2.870 -6.786 1.00 0.00 C ATOM 442 O LYS A 30 6.413 3.228 -7.520 1.00 0.00 O ATOM 443 CB LYS A 30 3.983 1.727 -8.433 1.00 0.00 C ATOM 444 CG LYS A 30 3.290 0.401 -8.767 1.00 0.00 C ATOM 445 CD LYS A 30 4.337 -0.695 -8.994 1.00 0.00 C ATOM 446 CE LYS A 30 4.795 -0.668 -10.452 1.00 0.00 C ATOM 447 NZ LYS A 30 6.220 -0.234 -10.515 1.00 0.00 N ATOM 0 H LYS A 30 3.015 2.231 -5.926 1.00 0.00 H new ATOM 0 HA LYS A 30 5.333 0.732 -7.125 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.252 2.535 -8.405 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.705 1.978 -9.210 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.623 0.115 -7.954 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.674 0.518 -9.659 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.189 -0.542 -8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.916 -1.671 -8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.684 -1.656 -10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.170 0.014 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.534 -0.215 -11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.312 0.717 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.810 -0.901 -9.978 1.00 0.00 H new ATOM 461 N ALA A 31 5.226 3.521 -5.678 1.00 0.00 N ATOM 462 CA ALA A 31 5.992 4.729 -5.272 1.00 0.00 C ATOM 463 C ALA A 31 7.108 4.269 -4.332 1.00 0.00 C ATOM 464 O ALA A 31 7.983 5.024 -3.955 1.00 0.00 O ATOM 465 CB ALA A 31 5.062 5.696 -4.529 1.00 0.00 C ATOM 0 H ALA A 31 4.481 3.255 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 31 6.405 5.238 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.622 6.582 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.242 5.989 -5.185 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.660 5.205 -3.643 1.00 0.00 H new ATOM 471 N LEU A 32 7.077 3.012 -3.972 1.00 0.00 N ATOM 472 CA LEU A 32 8.112 2.435 -3.080 1.00 0.00 C ATOM 473 C LEU A 32 9.174 1.797 -3.961 1.00 0.00 C ATOM 474 O LEU A 32 10.272 1.501 -3.535 1.00 0.00 O ATOM 475 CB LEU A 32 7.447 1.375 -2.187 1.00 0.00 C ATOM 476 CG LEU A 32 6.166 1.955 -1.579 1.00 0.00 C ATOM 477 CD1 LEU A 32 6.410 3.414 -1.239 1.00 0.00 C ATOM 478 CD2 LEU A 32 5.022 1.861 -2.568 1.00 0.00 C ATOM 0 H LEU A 32 6.359 2.351 -4.269 1.00 0.00 H new ATOM 0 HA LEU A 32 8.568 3.196 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.215 0.485 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.132 1.068 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 32 5.904 1.391 -0.684 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.507 3.842 -0.805 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.228 3.489 -0.522 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.671 3.960 -2.146 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.119 2.277 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.273 2.422 -3.469 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.850 0.816 -2.827 1.00 0.00 H new ATOM 490 N ALA A 33 8.835 1.596 -5.199 1.00 0.00 N ATOM 491 CA ALA A 33 9.785 0.986 -6.163 1.00 0.00 C ATOM 492 C ALA A 33 10.763 2.045 -6.698 1.00 0.00 C ATOM 493 O ALA A 33 11.298 1.904 -7.779 1.00 0.00 O ATOM 494 CB ALA A 33 8.994 0.409 -7.337 1.00 0.00 C ATOM 0 H ALA A 33 7.923 1.833 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 33 10.350 0.203 -5.657 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.682 -0.042 -8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.302 -0.349 -6.972 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.434 1.206 -7.825 1.00 0.00 H new ATOM 500 N ALA A 34 10.998 3.108 -5.970 1.00 0.00 N ATOM 501 CA ALA A 34 11.934 4.156 -6.477 1.00 0.00 C ATOM 502 C ALA A 34 12.981 4.505 -5.413 1.00 0.00 C ATOM 503 O ALA A 34 13.227 5.660 -5.129 1.00 0.00 O ATOM 504 CB ALA A 34 11.140 5.413 -6.834 1.00 0.00 C ATOM 0 H ALA A 34 10.586 3.294 -5.055 1.00 0.00 H new ATOM 0 HA ALA A 34 12.445 3.772 -7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.820 6.180 -7.204 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.408 5.174 -7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.625 5.782 -5.947 1.00 0.00 H new ATOM 510 N GLY A 35 13.604 3.520 -4.829 1.00 0.00 N ATOM 511 CA GLY A 35 14.643 3.800 -3.791 1.00 0.00 C ATOM 512 C GLY A 35 15.361 2.497 -3.437 1.00 0.00 C ATOM 513 O GLY A 35 15.512 2.151 -2.282 1.00 0.00 O ATOM 0 H GLY A 35 13.441 2.532 -5.023 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.358 4.534 -4.163 1.00 0.00 H new ATOM 0 HA3 GLY A 35 14.180 4.228 -2.902 1.00 0.00 H new ATOM 517 N GLY A 36 15.766 1.752 -4.427 1.00 0.00 N ATOM 518 CA GLY A 36 16.430 0.445 -4.159 1.00 0.00 C ATOM 519 C GLY A 36 15.324 -0.600 -4.039 1.00 0.00 C ATOM 520 O GLY A 36 15.548 -1.744 -3.697 1.00 0.00 O ATOM 0 H GLY A 36 15.666 1.992 -5.413 1.00 0.00 H new ATOM 0 HA2 GLY A 36 17.117 0.189 -4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 36 17.018 0.492 -3.242 1.00 0.00 H new ATOM 524 N TYR A 37 14.121 -0.177 -4.319 1.00 0.00 N ATOM 525 CA TYR A 37 12.935 -1.058 -4.240 1.00 0.00 C ATOM 526 C TYR A 37 12.260 -1.046 -5.608 1.00 0.00 C ATOM 527 O TYR A 37 12.276 -0.039 -6.289 1.00 0.00 O ATOM 528 CB TYR A 37 11.989 -0.444 -3.204 1.00 0.00 C ATOM 529 CG TYR A 37 12.257 -0.997 -1.822 1.00 0.00 C ATOM 530 CD1 TYR A 37 13.329 -1.869 -1.586 1.00 0.00 C ATOM 531 CD2 TYR A 37 11.425 -0.617 -0.765 1.00 0.00 C ATOM 532 CE1 TYR A 37 13.561 -2.358 -0.297 1.00 0.00 C ATOM 533 CE2 TYR A 37 11.661 -1.104 0.523 1.00 0.00 C ATOM 534 CZ TYR A 37 12.729 -1.976 0.758 1.00 0.00 C ATOM 535 OH TYR A 37 12.968 -2.451 2.031 1.00 0.00 O ATOM 0 H TYR A 37 13.912 0.778 -4.609 1.00 0.00 H new ATOM 0 HA TYR A 37 13.198 -2.079 -3.962 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.110 0.639 -3.195 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.956 -0.647 -3.486 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.975 -2.163 -2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.598 0.054 -0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.385 -3.032 -0.117 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.018 -0.807 1.338 1.00 0.00 H new ATOM 0 HH TYR A 37 13.598 -3.201 1.988 1.00 0.00 H new ATOM 545 N ASP A 38 11.666 -2.126 -6.040 1.00 0.00 N ATOM 546 CA ASP A 38 11.015 -2.087 -7.365 1.00 0.00 C ATOM 547 C ASP A 38 9.707 -2.876 -7.322 1.00 0.00 C ATOM 548 O ASP A 38 9.132 -3.177 -8.349 1.00 0.00 O ATOM 549 CB ASP A 38 11.960 -2.692 -8.414 1.00 0.00 C ATOM 550 CG ASP A 38 11.962 -1.824 -9.674 1.00 0.00 C ATOM 551 OD1 ASP A 38 10.983 -1.130 -9.894 1.00 0.00 O ATOM 552 OD2 ASP A 38 12.944 -1.867 -10.397 1.00 0.00 O ATOM 0 H ASP A 38 11.607 -3.013 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 38 10.794 -1.054 -7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.969 -2.763 -8.009 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.643 -3.705 -8.660 1.00 0.00 H new ATOM 557 N VAL A 39 9.236 -3.257 -6.153 1.00 0.00 N ATOM 558 CA VAL A 39 7.993 -4.061 -6.112 1.00 0.00 C ATOM 559 C VAL A 39 8.210 -5.215 -7.080 1.00 0.00 C ATOM 560 O VAL A 39 7.290 -5.806 -7.610 1.00 0.00 O ATOM 561 CB VAL A 39 6.772 -3.230 -6.530 1.00 0.00 C ATOM 562 CG1 VAL A 39 5.658 -3.453 -5.514 1.00 0.00 C ATOM 563 CG2 VAL A 39 7.117 -1.737 -6.575 1.00 0.00 C ATOM 0 H VAL A 39 9.657 -3.045 -5.248 1.00 0.00 H new ATOM 0 HA VAL A 39 7.791 -4.413 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 39 6.455 -3.543 -7.525 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.783 -2.868 -5.799 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.395 -4.510 -5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.998 -3.140 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.236 -1.169 -6.874 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.443 -1.409 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.918 -1.570 -7.295 1.00 0.00 H new ATOM 573 N GLU A 40 9.460 -5.527 -7.289 1.00 0.00 N ATOM 574 CA GLU A 40 9.856 -6.623 -8.186 1.00 0.00 C ATOM 575 C GLU A 40 10.940 -7.396 -7.451 1.00 0.00 C ATOM 576 O GLU A 40 10.688 -8.414 -6.839 1.00 0.00 O ATOM 577 CB GLU A 40 10.409 -6.037 -9.483 1.00 0.00 C ATOM 578 CG GLU A 40 9.490 -6.413 -10.647 1.00 0.00 C ATOM 579 CD GLU A 40 9.852 -7.810 -11.155 1.00 0.00 C ATOM 580 OE1 GLU A 40 10.887 -7.938 -11.788 1.00 0.00 O ATOM 581 OE2 GLU A 40 9.089 -8.727 -10.902 1.00 0.00 O ATOM 0 H GLU A 40 10.244 -5.042 -6.853 1.00 0.00 H new ATOM 0 HA GLU A 40 9.016 -7.270 -8.440 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.484 -4.953 -9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.416 -6.414 -9.664 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.449 -6.391 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.589 -5.685 -11.452 1.00 0.00 H new ATOM 588 N LYS A 41 12.134 -6.872 -7.434 1.00 0.00 N ATOM 589 CA LYS A 41 13.206 -7.532 -6.653 1.00 0.00 C ATOM 590 C LYS A 41 12.898 -7.250 -5.175 1.00 0.00 C ATOM 591 O LYS A 41 13.502 -7.802 -4.278 1.00 0.00 O ATOM 592 CB LYS A 41 14.570 -6.946 -7.035 1.00 0.00 C ATOM 593 CG LYS A 41 15.677 -7.703 -6.299 1.00 0.00 C ATOM 594 CD LYS A 41 17.030 -7.374 -6.932 1.00 0.00 C ATOM 595 CE LYS A 41 18.143 -8.066 -6.145 1.00 0.00 C ATOM 596 NZ LYS A 41 18.408 -9.408 -6.735 1.00 0.00 N ATOM 0 H LYS A 41 12.409 -6.021 -7.925 1.00 0.00 H new ATOM 0 HA LYS A 41 13.242 -8.603 -6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.720 -7.019 -8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 41 14.607 -5.887 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 41 15.681 -7.428 -5.244 1.00 0.00 H new ATOM 0 HG3 LYS A 41 15.492 -8.776 -6.348 1.00 0.00 H new ATOM 0 HD2 LYS A 41 17.047 -7.702 -7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 41 17.189 -6.296 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.050 -7.461 -6.168 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.854 -8.167 -5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 19.165 -9.879 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 17.543 -9.984 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 18.701 -9.299 -7.727 1.00 0.00 H new ATOM 610 N ASN A 42 11.922 -6.397 -4.935 1.00 0.00 N ATOM 611 CA ASN A 42 11.501 -6.059 -3.558 1.00 0.00 C ATOM 612 C ASN A 42 9.990 -6.278 -3.490 1.00 0.00 C ATOM 613 O ASN A 42 9.325 -5.819 -2.586 1.00 0.00 O ATOM 614 CB ASN A 42 11.807 -4.585 -3.290 1.00 0.00 C ATOM 615 CG ASN A 42 13.315 -4.377 -3.192 1.00 0.00 C ATOM 616 OD1 ASN A 42 13.881 -4.386 -2.117 1.00 0.00 O ATOM 617 ND2 ASN A 42 13.988 -4.189 -4.293 1.00 0.00 N ATOM 0 H ASN A 42 11.395 -5.917 -5.665 1.00 0.00 H new ATOM 0 HA ASN A 42 12.022 -6.672 -2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.397 -3.968 -4.090 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.326 -4.267 -2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.998 -4.048 -4.256 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.505 -4.183 -5.191 1.00 0.00 H new ATOM 624 N ASN A 43 9.444 -6.972 -4.462 1.00 0.00 N ATOM 625 CA ASN A 43 7.980 -7.229 -4.471 1.00 0.00 C ATOM 626 C ASN A 43 7.656 -8.162 -3.315 1.00 0.00 C ATOM 627 O ASN A 43 6.546 -8.215 -2.828 1.00 0.00 O ATOM 628 CB ASN A 43 7.578 -7.885 -5.804 1.00 0.00 C ATOM 629 CG ASN A 43 7.841 -9.395 -5.757 1.00 0.00 C ATOM 630 OD1 ASN A 43 9.015 -9.829 -5.389 1.00 0.00 O flip ATOM 631 ND2 ASN A 43 6.968 -10.185 -6.059 1.00 0.00 N flip ATOM 0 H ASN A 43 9.957 -7.370 -5.249 1.00 0.00 H new ATOM 0 HA ASN A 43 7.430 -6.294 -4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.523 -7.699 -6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.142 -7.436 -6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.050 -9.845 -6.347 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.153 -11.187 -6.025 1.00 0.00 H new ATOM 638 N SER A 44 8.632 -8.903 -2.878 1.00 0.00 N ATOM 639 CA SER A 44 8.404 -9.838 -1.756 1.00 0.00 C ATOM 640 C SER A 44 8.337 -9.052 -0.455 1.00 0.00 C ATOM 641 O SER A 44 7.932 -9.572 0.565 1.00 0.00 O ATOM 642 CB SER A 44 9.548 -10.841 -1.682 1.00 0.00 C ATOM 643 OG SER A 44 9.362 -11.685 -0.553 1.00 0.00 O ATOM 0 H SER A 44 9.580 -8.898 -3.254 1.00 0.00 H new ATOM 0 HA SER A 44 7.467 -10.372 -1.913 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.584 -11.437 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.501 -10.318 -1.606 1.00 0.00 H new ATOM 0 HG SER A 44 8.722 -11.271 0.063 1.00 0.00 H new ATOM 649 N ARG A 45 8.716 -7.800 -0.465 1.00 0.00 N ATOM 650 CA ARG A 45 8.635 -7.038 0.806 1.00 0.00 C ATOM 651 C ARG A 45 7.550 -5.967 0.683 1.00 0.00 C ATOM 652 O ARG A 45 6.989 -5.527 1.664 1.00 0.00 O ATOM 653 CB ARG A 45 10.003 -6.427 1.170 1.00 0.00 C ATOM 654 CG ARG A 45 9.944 -4.896 1.142 1.00 0.00 C ATOM 655 CD ARG A 45 11.263 -4.317 1.653 1.00 0.00 C ATOM 656 NE ARG A 45 11.821 -5.196 2.720 1.00 0.00 N ATOM 657 CZ ARG A 45 12.136 -4.693 3.881 1.00 0.00 C ATOM 658 NH1 ARG A 45 11.203 -4.233 4.669 1.00 0.00 N ATOM 659 NH2 ARG A 45 13.386 -4.648 4.256 1.00 0.00 N ATOM 0 H ARG A 45 9.067 -7.289 -1.275 1.00 0.00 H new ATOM 0 HA ARG A 45 8.366 -7.714 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 45 10.304 -6.765 2.161 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.761 -6.778 0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.753 -4.549 0.126 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.118 -4.544 1.760 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.975 -4.230 0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.102 -3.312 2.044 1.00 0.00 H new ATOM 0 HE ARG A 45 11.956 -6.191 2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 45 10.226 -4.267 4.377 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.450 -3.840 5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.116 -5.006 3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 45 13.632 -4.254 5.164 1.00 0.00 H new ATOM 673 N ILE A 46 7.242 -5.559 -0.512 1.00 0.00 N ATOM 674 CA ILE A 46 6.180 -4.540 -0.688 1.00 0.00 C ATOM 675 C ILE A 46 4.837 -5.257 -0.737 1.00 0.00 C ATOM 676 O ILE A 46 3.830 -4.716 -0.350 1.00 0.00 O ATOM 677 CB ILE A 46 6.405 -3.763 -1.985 1.00 0.00 C ATOM 678 CG1 ILE A 46 7.402 -2.634 -1.721 1.00 0.00 C ATOM 679 CG2 ILE A 46 5.068 -3.165 -2.456 1.00 0.00 C ATOM 680 CD1 ILE A 46 7.528 -1.766 -2.970 1.00 0.00 C ATOM 0 H ILE A 46 7.680 -5.887 -1.373 1.00 0.00 H new ATOM 0 HA ILE A 46 6.200 -3.833 0.141 1.00 0.00 H new ATOM 0 HB ILE A 46 6.797 -4.429 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.069 -2.030 -0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.374 -3.048 -1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.224 -2.610 -3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.352 -3.968 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.680 -2.493 -1.690 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.238 -0.961 -2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.880 -2.375 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.555 -1.341 -3.218 1.00 0.00 H new ATOM 692 N LYS A 47 4.818 -6.480 -1.190 1.00 0.00 N ATOM 693 CA LYS A 47 3.536 -7.231 -1.221 1.00 0.00 C ATOM 694 C LYS A 47 3.197 -7.631 0.218 1.00 0.00 C ATOM 695 O LYS A 47 2.151 -8.180 0.501 1.00 0.00 O ATOM 696 CB LYS A 47 3.681 -8.479 -2.102 1.00 0.00 C ATOM 697 CG LYS A 47 4.434 -9.576 -1.341 1.00 0.00 C ATOM 698 CD LYS A 47 4.690 -10.761 -2.275 1.00 0.00 C ATOM 699 CE LYS A 47 3.967 -11.999 -1.740 1.00 0.00 C ATOM 700 NZ LYS A 47 2.494 -11.782 -1.810 1.00 0.00 N ATOM 0 H LYS A 47 5.631 -6.988 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 47 2.740 -6.615 -1.639 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.696 -8.841 -2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.217 -8.227 -3.017 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.379 -9.187 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.853 -9.899 -0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.339 -10.528 -3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.760 -10.955 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.244 -12.876 -2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.268 -12.193 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.005 -12.697 -1.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.195 -11.172 -1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.253 -11.325 -2.712 1.00 0.00 H new ATOM 714 N LEU A 48 4.087 -7.333 1.131 1.00 0.00 N ATOM 715 CA LEU A 48 3.859 -7.652 2.559 1.00 0.00 C ATOM 716 C LEU A 48 3.521 -6.342 3.263 1.00 0.00 C ATOM 717 O LEU A 48 2.536 -6.234 3.963 1.00 0.00 O ATOM 718 CB LEU A 48 5.141 -8.264 3.144 1.00 0.00 C ATOM 719 CG LEU A 48 5.192 -8.073 4.664 1.00 0.00 C ATOM 720 CD1 LEU A 48 5.677 -6.660 4.995 1.00 0.00 C ATOM 721 CD2 LEU A 48 3.799 -8.288 5.263 1.00 0.00 C ATOM 0 H LEU A 48 4.976 -6.873 0.935 1.00 0.00 H new ATOM 0 HA LEU A 48 3.047 -8.368 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.184 -9.327 2.905 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.013 -7.799 2.685 1.00 0.00 H new ATOM 0 HG LEU A 48 5.884 -8.801 5.089 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.711 -6.531 6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.674 -6.511 4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.992 -5.930 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.842 -8.151 6.343 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.103 -7.567 4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.459 -9.299 5.039 1.00 0.00 H new ATOM 733 N GLY A 49 4.316 -5.331 3.034 1.00 0.00 N ATOM 734 CA GLY A 49 4.033 -4.007 3.633 1.00 0.00 C ATOM 735 C GLY A 49 2.835 -3.433 2.890 1.00 0.00 C ATOM 736 O GLY A 49 2.207 -2.491 3.327 1.00 0.00 O ATOM 0 H GLY A 49 5.153 -5.372 2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.818 -4.103 4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.897 -3.349 3.540 1.00 0.00 H new ATOM 740 N LEU A 50 2.493 -4.032 1.774 1.00 0.00 N ATOM 741 CA LEU A 50 1.313 -3.563 1.018 1.00 0.00 C ATOM 742 C LEU A 50 0.111 -4.281 1.599 1.00 0.00 C ATOM 743 O LEU A 50 -0.719 -3.696 2.251 1.00 0.00 O ATOM 744 CB LEU A 50 1.428 -3.897 -0.472 1.00 0.00 C ATOM 745 CG LEU A 50 0.045 -3.758 -1.116 1.00 0.00 C ATOM 746 CD1 LEU A 50 -0.609 -2.472 -0.631 1.00 0.00 C ATOM 747 CD2 LEU A 50 0.176 -3.736 -2.641 1.00 0.00 C ATOM 0 H LEU A 50 2.987 -4.824 1.363 1.00 0.00 H new ATOM 0 HA LEU A 50 1.226 -2.480 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.139 -3.227 -0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.806 -4.911 -0.604 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.574 -4.609 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.594 -2.370 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.713 -2.503 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.011 -1.620 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.812 -3.637 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.797 -2.892 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.637 -4.664 -2.980 1.00 0.00 H new ATOM 759 N LYS A 51 0.040 -5.568 1.412 1.00 0.00 N ATOM 760 CA LYS A 51 -1.084 -6.326 2.010 1.00 0.00 C ATOM 761 C LYS A 51 -1.138 -5.956 3.493 1.00 0.00 C ATOM 762 O LYS A 51 -2.133 -6.135 4.156 1.00 0.00 O ATOM 763 CB LYS A 51 -0.843 -7.829 1.852 1.00 0.00 C ATOM 764 CG LYS A 51 0.283 -8.269 2.789 1.00 0.00 C ATOM 765 CD LYS A 51 -0.319 -8.817 4.084 1.00 0.00 C ATOM 766 CE LYS A 51 -0.342 -10.345 4.029 1.00 0.00 C ATOM 767 NZ LYS A 51 0.977 -10.880 4.470 1.00 0.00 N ATOM 0 H LYS A 51 0.707 -6.122 0.875 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.024 -6.082 1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.756 -8.380 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.581 -8.059 0.819 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.894 -9.032 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.939 -7.427 3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.267 -8.482 4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.330 -8.432 4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.135 -10.730 4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.561 -10.679 3.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.960 -11.919 4.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.724 -10.523 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.168 -10.572 5.445 1.00 0.00 H new ATOM 781 N SER A 52 -0.063 -5.423 4.012 1.00 0.00 N ATOM 782 CA SER A 52 -0.047 -5.015 5.435 1.00 0.00 C ATOM 783 C SER A 52 -0.678 -3.634 5.555 1.00 0.00 C ATOM 784 O SER A 52 -1.458 -3.388 6.441 1.00 0.00 O ATOM 785 CB SER A 52 1.389 -4.961 5.951 1.00 0.00 C ATOM 786 OG SER A 52 1.788 -6.261 6.363 1.00 0.00 O ATOM 0 H SER A 52 0.805 -5.255 3.504 1.00 0.00 H new ATOM 0 HA SER A 52 -0.607 -5.739 6.027 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.055 -4.594 5.170 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.462 -4.264 6.786 1.00 0.00 H new ATOM 0 HG SER A 52 2.710 -6.231 6.693 1.00 0.00 H new ATOM 792 N LEU A 53 -0.377 -2.715 4.677 1.00 0.00 N ATOM 793 CA LEU A 53 -1.024 -1.384 4.825 1.00 0.00 C ATOM 794 C LEU A 53 -2.521 -1.536 4.556 1.00 0.00 C ATOM 795 O LEU A 53 -3.358 -1.086 5.311 1.00 0.00 O ATOM 796 CB LEU A 53 -0.417 -0.399 3.825 1.00 0.00 C ATOM 797 CG LEU A 53 0.318 0.705 4.585 1.00 0.00 C ATOM 798 CD1 LEU A 53 -0.673 1.467 5.469 1.00 0.00 C ATOM 799 CD2 LEU A 53 1.400 0.074 5.462 1.00 0.00 C ATOM 0 H LEU A 53 0.265 -2.822 3.892 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.864 -1.004 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.272 -0.918 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.200 0.032 3.201 1.00 0.00 H new ATOM 0 HG LEU A 53 0.774 1.396 3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.147 2.254 6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.449 1.911 4.846 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.129 0.779 6.181 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.928 0.856 6.007 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.939 -0.614 6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.105 -0.471 4.834 1.00 0.00 H new ATOM 811 N VAL A 54 -2.846 -2.152 3.462 1.00 0.00 N ATOM 812 CA VAL A 54 -4.265 -2.344 3.059 1.00 0.00 C ATOM 813 C VAL A 54 -4.984 -3.410 3.909 1.00 0.00 C ATOM 814 O VAL A 54 -6.087 -3.204 4.372 1.00 0.00 O ATOM 815 CB VAL A 54 -4.238 -2.751 1.588 1.00 0.00 C ATOM 816 CG1 VAL A 54 -4.124 -4.272 1.438 1.00 0.00 C ATOM 817 CG2 VAL A 54 -5.505 -2.261 0.891 1.00 0.00 C ATOM 0 H VAL A 54 -2.168 -2.543 2.808 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.826 -1.423 3.216 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.364 -2.293 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.107 -4.533 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.205 -4.616 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.979 -4.750 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.480 -2.555 -0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.378 -2.703 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.563 -1.175 0.963 1.00 0.00 H new ATOM 827 N SER A 55 -4.400 -4.559 4.077 1.00 0.00 N ATOM 828 CA SER A 55 -5.094 -5.637 4.853 1.00 0.00 C ATOM 829 C SER A 55 -4.986 -5.428 6.374 1.00 0.00 C ATOM 830 O SER A 55 -5.832 -5.887 7.116 1.00 0.00 O ATOM 831 CB SER A 55 -4.493 -6.995 4.491 1.00 0.00 C ATOM 832 OG SER A 55 -5.524 -7.974 4.465 1.00 0.00 O ATOM 0 H SER A 55 -3.478 -4.805 3.716 1.00 0.00 H new ATOM 0 HA SER A 55 -6.150 -5.599 4.587 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.003 -6.941 3.519 1.00 0.00 H new ATOM 0 HB3 SER A 55 -3.730 -7.273 5.218 1.00 0.00 H new ATOM 0 HG SER A 55 -5.142 -8.846 4.232 1.00 0.00 H new ATOM 838 N LYS A 56 -3.973 -4.762 6.865 1.00 0.00 N ATOM 839 CA LYS A 56 -3.879 -4.583 8.348 1.00 0.00 C ATOM 840 C LYS A 56 -5.083 -3.791 8.840 1.00 0.00 C ATOM 841 O LYS A 56 -5.961 -4.313 9.498 1.00 0.00 O ATOM 842 CB LYS A 56 -2.611 -3.816 8.726 1.00 0.00 C ATOM 843 CG LYS A 56 -1.392 -4.724 8.565 1.00 0.00 C ATOM 844 CD LYS A 56 -1.139 -5.476 9.873 1.00 0.00 C ATOM 845 CE LYS A 56 -0.341 -6.749 9.583 1.00 0.00 C ATOM 846 NZ LYS A 56 0.639 -6.983 10.682 1.00 0.00 N ATOM 0 H LYS A 56 -3.221 -4.342 6.319 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.852 -5.571 8.808 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.506 -2.934 8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.681 -3.464 9.755 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.557 -5.432 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.517 -4.132 8.299 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.591 -4.841 10.570 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.087 -5.728 10.349 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.015 -7.601 9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.180 -6.655 8.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.181 -7.848 10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.289 -6.174 10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.131 -7.091 11.583 1.00 0.00 H new ATOM 860 N GLY A 57 -5.124 -2.529 8.532 1.00 0.00 N ATOM 861 CA GLY A 57 -6.269 -1.696 8.990 1.00 0.00 C ATOM 862 C GLY A 57 -6.041 -0.234 8.615 1.00 0.00 C ATOM 863 O GLY A 57 -6.973 0.476 8.293 1.00 0.00 O ATOM 0 H GLY A 57 -4.417 -2.037 7.985 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.193 -2.055 8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.386 -1.788 10.070 1.00 0.00 H new ATOM 867 N THR A 58 -4.816 0.233 8.623 1.00 0.00 N ATOM 868 CA THR A 58 -4.584 1.646 8.230 1.00 0.00 C ATOM 869 C THR A 58 -5.283 1.824 6.897 1.00 0.00 C ATOM 870 O THR A 58 -6.356 2.374 6.807 1.00 0.00 O ATOM 871 CB THR A 58 -3.083 1.906 8.079 1.00 0.00 C ATOM 872 OG1 THR A 58 -2.405 0.668 7.911 1.00 0.00 O ATOM 873 CG2 THR A 58 -2.561 2.611 9.332 1.00 0.00 C ATOM 0 H THR A 58 -3.984 -0.297 8.881 1.00 0.00 H new ATOM 0 HA THR A 58 -4.964 2.342 8.978 1.00 0.00 H new ATOM 0 HB THR A 58 -2.906 2.537 7.208 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.479 0.758 8.220 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.492 2.797 9.226 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.083 3.559 9.460 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.735 1.980 10.204 1.00 0.00 H new ATOM 881 N LEU A 59 -4.710 1.286 5.874 1.00 0.00 N ATOM 882 CA LEU A 59 -5.351 1.335 4.552 1.00 0.00 C ATOM 883 C LEU A 59 -6.415 0.235 4.551 1.00 0.00 C ATOM 884 O LEU A 59 -6.098 -0.929 4.636 1.00 0.00 O ATOM 885 CB LEU A 59 -4.264 1.060 3.526 1.00 0.00 C ATOM 886 CG LEU A 59 -4.774 1.270 2.104 1.00 0.00 C ATOM 887 CD1 LEU A 59 -5.538 2.589 2.011 1.00 0.00 C ATOM 888 CD2 LEU A 59 -3.567 1.311 1.163 1.00 0.00 C ATOM 0 H LEU A 59 -3.810 0.807 5.900 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.819 2.292 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.414 1.717 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.906 0.037 3.638 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.446 0.458 1.827 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.898 2.730 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.386 2.567 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.876 3.413 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.909 1.461 0.139 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.910 2.132 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.022 0.370 1.230 1.00 0.00 H new ATOM 900 N VAL A 60 -7.676 0.577 4.528 1.00 0.00 N ATOM 901 CA VAL A 60 -8.710 -0.499 4.597 1.00 0.00 C ATOM 902 C VAL A 60 -9.470 -0.649 3.285 1.00 0.00 C ATOM 903 O VAL A 60 -10.518 -0.068 3.083 1.00 0.00 O ATOM 904 CB VAL A 60 -9.711 -0.218 5.719 1.00 0.00 C ATOM 905 CG1 VAL A 60 -9.370 -1.095 6.922 1.00 0.00 C ATOM 906 CG2 VAL A 60 -9.654 1.256 6.124 1.00 0.00 C ATOM 0 H VAL A 60 -8.030 1.531 4.466 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.178 -1.429 4.798 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.718 -0.444 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.079 -0.901 7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.426 -2.145 6.634 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.361 -0.866 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.371 1.442 6.923 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.651 1.499 6.474 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.899 1.879 5.264 1.00 0.00 H new ATOM 916 N GLN A 61 -8.965 -1.469 2.417 1.00 0.00 N ATOM 917 CA GLN A 61 -9.660 -1.729 1.130 1.00 0.00 C ATOM 918 C GLN A 61 -10.898 -2.579 1.431 1.00 0.00 C ATOM 919 O GLN A 61 -11.266 -2.760 2.574 1.00 0.00 O ATOM 920 CB GLN A 61 -8.710 -2.489 0.193 1.00 0.00 C ATOM 921 CG GLN A 61 -8.632 -3.965 0.591 1.00 0.00 C ATOM 922 CD GLN A 61 -7.364 -4.585 -0.006 1.00 0.00 C ATOM 923 OE1 GLN A 61 -6.772 -5.468 0.582 1.00 0.00 O ATOM 924 NE2 GLN A 61 -6.919 -4.155 -1.158 1.00 0.00 N ATOM 0 H GLN A 61 -8.090 -1.978 2.543 1.00 0.00 H new ATOM 0 HA GLN A 61 -9.956 -0.797 0.648 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.058 -2.402 -0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.716 -2.043 0.233 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.621 -4.060 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.514 -4.497 0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.416 -3.414 -1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.075 -4.561 -1.563 1.00 0.00 H new ATOM 933 N THR A 62 -11.541 -3.109 0.431 1.00 0.00 N ATOM 934 CA THR A 62 -12.743 -3.949 0.696 1.00 0.00 C ATOM 935 C THR A 62 -12.949 -4.927 -0.462 1.00 0.00 C ATOM 936 O THR A 62 -14.013 -5.009 -1.042 1.00 0.00 O ATOM 937 CB THR A 62 -13.985 -3.063 0.864 1.00 0.00 C ATOM 938 OG1 THR A 62 -15.150 -3.835 0.607 1.00 0.00 O ATOM 939 CG2 THR A 62 -13.935 -1.880 -0.107 1.00 0.00 C ATOM 0 H THR A 62 -11.290 -2.999 -0.552 1.00 0.00 H new ATOM 0 HA THR A 62 -12.590 -4.509 1.618 1.00 0.00 H new ATOM 0 HB THR A 62 -14.009 -2.679 1.884 1.00 0.00 H new ATOM 0 HG1 THR A 62 -15.178 -4.079 -0.342 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.823 -1.262 0.026 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.045 -1.283 0.092 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.901 -2.251 -1.131 1.00 0.00 H new ATOM 1018 N GLY A 69 -13.699 -2.989 -3.655 1.00 0.00 N ATOM 1019 CA GLY A 69 -12.842 -2.282 -2.663 1.00 0.00 C ATOM 1020 C GLY A 69 -11.520 -1.891 -3.322 1.00 0.00 C ATOM 1021 O GLY A 69 -11.345 -2.039 -4.514 1.00 0.00 O ATOM 0 HA2 GLY A 69 -13.353 -1.393 -2.292 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.656 -2.925 -1.803 1.00 0.00 H new ATOM 1025 N SER A 70 -10.587 -1.388 -2.560 1.00 0.00 N ATOM 1026 CA SER A 70 -9.286 -0.991 -3.162 1.00 0.00 C ATOM 1027 C SER A 70 -8.303 -0.576 -2.066 1.00 0.00 C ATOM 1028 O SER A 70 -7.472 -1.351 -1.650 1.00 0.00 O ATOM 1029 CB SER A 70 -9.506 0.185 -4.113 1.00 0.00 C ATOM 1030 OG SER A 70 -10.645 0.923 -3.689 1.00 0.00 O ATOM 0 H SER A 70 -10.669 -1.236 -1.555 1.00 0.00 H new ATOM 0 HA SER A 70 -8.874 -1.839 -3.709 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.626 0.828 -4.126 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.651 -0.177 -5.131 1.00 0.00 H new ATOM 0 HG SER A 70 -10.577 1.845 -4.013 1.00 0.00 H new ATOM 1036 N PHE A 71 -8.383 0.652 -1.620 1.00 0.00 N ATOM 1037 CA PHE A 71 -7.458 1.159 -0.559 1.00 0.00 C ATOM 1038 C PHE A 71 -7.971 2.510 -0.069 1.00 0.00 C ATOM 1039 O PHE A 71 -7.338 3.528 -0.272 1.00 0.00 O ATOM 1040 CB PHE A 71 -6.034 1.379 -1.101 1.00 0.00 C ATOM 1041 CG PHE A 71 -5.618 0.249 -1.997 1.00 0.00 C ATOM 1042 CD1 PHE A 71 -6.068 0.182 -3.321 1.00 0.00 C ATOM 1043 CD2 PHE A 71 -4.778 -0.747 -1.492 1.00 0.00 C ATOM 1044 CE1 PHE A 71 -5.685 -0.879 -4.127 1.00 0.00 C ATOM 1045 CE2 PHE A 71 -4.394 -1.807 -2.307 1.00 0.00 C ATOM 1046 CZ PHE A 71 -4.853 -1.868 -3.623 1.00 0.00 C ATOM 0 H PHE A 71 -9.062 1.337 -1.952 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.426 0.416 0.238 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.992 2.319 -1.652 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.334 1.465 -0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.712 0.955 -3.714 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.428 -0.694 -0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.034 -0.936 -5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.744 -2.579 -1.923 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.558 -2.693 -4.255 1.00 0.00 H new ATOM 1056 N ARG A 72 -9.094 2.545 0.585 1.00 0.00 N ATOM 1057 CA ARG A 72 -9.592 3.849 1.086 1.00 0.00 C ATOM 1058 C ARG A 72 -8.628 4.297 2.172 1.00 0.00 C ATOM 1059 O ARG A 72 -7.610 4.894 1.893 1.00 0.00 O ATOM 1060 CB ARG A 72 -11.000 3.686 1.662 1.00 0.00 C ATOM 1061 CG ARG A 72 -12.029 3.815 0.538 1.00 0.00 C ATOM 1062 CD ARG A 72 -12.408 2.423 0.032 1.00 0.00 C ATOM 1063 NE ARG A 72 -13.877 2.367 -0.209 1.00 0.00 N ATOM 1064 CZ ARG A 72 -14.363 1.528 -1.081 1.00 0.00 C ATOM 1065 NH1 ARG A 72 -13.750 1.343 -2.218 1.00 0.00 N ATOM 1066 NH2 ARG A 72 -15.462 0.877 -0.817 1.00 0.00 N ATOM 0 H ARG A 72 -9.682 1.738 0.792 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.645 4.585 0.284 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.096 2.715 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.182 4.443 2.425 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.915 4.336 0.900 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.620 4.411 -0.278 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -11.869 2.199 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.119 1.667 0.763 1.00 0.00 H new ATOM 0 HE ARG A 72 -14.503 2.985 0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.892 1.854 -2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -14.129 0.687 -2.901 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.941 1.024 0.071 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.842 0.221 -1.499 1.00 0.00 H new ATOM 1080 N LEU A 73 -8.910 3.945 3.395 1.00 0.00 N ATOM 1081 CA LEU A 73 -7.988 4.279 4.513 1.00 0.00 C ATOM 1082 C LEU A 73 -8.690 4.062 5.841 1.00 0.00 C ATOM 1083 O LEU A 73 -9.872 3.790 5.894 1.00 0.00 O ATOM 1084 CB LEU A 73 -7.462 5.727 4.440 1.00 0.00 C ATOM 1085 CG LEU A 73 -6.018 5.804 4.995 1.00 0.00 C ATOM 1086 CD1 LEU A 73 -5.251 4.508 4.732 1.00 0.00 C ATOM 1087 CD2 LEU A 73 -5.265 6.938 4.309 1.00 0.00 C ATOM 0 H LEU A 73 -9.749 3.435 3.669 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.127 3.616 4.425 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.481 6.076 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.114 6.387 5.012 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.088 5.972 6.070 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.241 4.595 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.764 3.677 5.216 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.200 4.327 3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.249 6.990 4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.230 6.754 3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.776 7.882 4.499 1.00 0.00 H new ATOM 1099 N SER A 74 -7.937 4.153 6.905 1.00 0.00 N ATOM 1100 CA SER A 74 -8.478 3.920 8.272 1.00 0.00 C ATOM 1101 C SER A 74 -9.989 4.179 8.319 1.00 0.00 C ATOM 1102 O SER A 74 -10.786 3.263 8.288 1.00 0.00 O ATOM 1103 CB SER A 74 -7.771 4.845 9.263 1.00 0.00 C ATOM 1104 OG SER A 74 -8.299 4.632 10.565 1.00 0.00 O ATOM 0 H SER A 74 -6.944 4.385 6.880 1.00 0.00 H new ATOM 0 HA SER A 74 -8.300 2.879 8.540 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.698 4.651 9.257 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.908 5.885 8.968 1.00 0.00 H new ATOM 0 HG SER A 74 -7.846 5.223 11.202 1.00 0.00 H new ATOM 1110 N LYS A 75 -10.386 5.419 8.386 1.00 0.00 N ATOM 1111 CA LYS A 75 -11.843 5.733 8.425 1.00 0.00 C ATOM 1112 C LYS A 75 -12.038 7.218 8.736 1.00 0.00 C ATOM 1113 O LYS A 75 -11.538 7.660 9.758 1.00 0.00 O ATOM 1114 CB LYS A 75 -12.523 4.890 9.507 1.00 0.00 C ATOM 1115 CG LYS A 75 -11.648 4.865 10.762 1.00 0.00 C ATOM 1116 CD LYS A 75 -12.434 4.251 11.922 1.00 0.00 C ATOM 1117 CE LYS A 75 -12.149 2.749 11.994 1.00 0.00 C ATOM 1118 NZ LYS A 75 -13.182 2.011 11.215 1.00 0.00 N ATOM 1119 OXT LYS A 75 -12.683 7.888 7.947 1.00 0.00 O ATOM 0 H LYS A 75 -9.766 6.228 8.415 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.287 5.503 7.457 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.503 5.304 9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.685 3.875 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.743 4.286 10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.332 5.876 11.018 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.153 4.731 12.860 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.501 4.423 11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.157 2.537 11.596 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.154 2.416 13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.242 1.031 11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.104 2.477 11.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.922 2.009 10.208 1.00 0.00 H new