USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=16 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 Set 1.1: A 62 THR OG1 : rot 53:sc= 0.418 USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00254 USER MOD Single : A 7 THR OG1 : rot -76:sc= 0.481 USER MOD Single : A 11 THR OG1 : rot 139:sc= -5.34! 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 103:sc= -1.12 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 147:sc=-0.00158 (180deg=-0.125) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -130:sc= -7.66! (180deg=-11.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 165:sc= -4.58! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -10! C(o=-10!,f=-23!) USER MOD Single : A 43 ASN : amide:sc= -2 K(o=-2,f=-0.53) USER MOD Single : A 44 SER OG : rot 180:sc= 0.015 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= -0.126 (180deg=-0.126) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -7.57! C(o=-7.6!,f=-12!) USER MOD Single : A 74 SER OG : rot 66:sc= -0.332! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 4 12.730 -0.318 8.215 1.00 0.00 N ATOM 38 CA PRO A 4 12.728 1.082 7.737 1.00 0.00 C ATOM 39 C PRO A 4 11.798 1.230 6.532 1.00 0.00 C ATOM 40 O PRO A 4 11.061 2.189 6.421 1.00 0.00 O ATOM 41 CB PRO A 4 14.179 1.354 7.340 1.00 0.00 C ATOM 42 CG PRO A 4 14.814 -0.022 7.063 1.00 0.00 C ATOM 43 CD PRO A 4 13.935 -1.063 7.777 1.00 0.00 C ATOM 0 HA PRO A 4 12.371 1.782 8.492 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.228 1.990 6.456 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.710 1.874 8.137 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.857 -0.220 5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.838 -0.058 7.435 1.00 0.00 H new ATOM 0 HD2 PRO A 4 13.670 -1.881 7.107 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.457 -1.503 8.627 1.00 0.00 H new ATOM 51 N SER A 5 11.820 0.289 5.630 1.00 0.00 N ATOM 52 CA SER A 5 10.927 0.387 4.444 1.00 0.00 C ATOM 53 C SER A 5 9.721 -0.523 4.649 1.00 0.00 C ATOM 54 O SER A 5 9.668 -1.279 5.596 1.00 0.00 O ATOM 55 CB SER A 5 11.681 -0.030 3.189 1.00 0.00 C ATOM 56 OG SER A 5 13.060 -0.184 3.495 1.00 0.00 O ATOM 0 H SER A 5 12.415 -0.539 5.663 1.00 0.00 H new ATOM 0 HA SER A 5 10.592 1.418 4.326 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.276 -0.965 2.803 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.552 0.720 2.408 1.00 0.00 H new ATOM 0 HG SER A 5 13.546 -0.454 2.688 1.00 0.00 H new ATOM 62 N VAL A 6 8.751 -0.455 3.773 1.00 0.00 N ATOM 63 CA VAL A 6 7.545 -1.302 3.930 1.00 0.00 C ATOM 64 C VAL A 6 6.937 -0.984 5.300 1.00 0.00 C ATOM 65 O VAL A 6 7.552 -1.201 6.319 1.00 0.00 O ATOM 66 CB VAL A 6 7.973 -2.758 3.833 1.00 0.00 C ATOM 67 CG1 VAL A 6 6.874 -3.675 4.373 1.00 0.00 C ATOM 68 CG2 VAL A 6 8.247 -3.102 2.371 1.00 0.00 C ATOM 0 H VAL A 6 8.748 0.155 2.955 1.00 0.00 H new ATOM 0 HA VAL A 6 6.800 -1.112 3.157 1.00 0.00 H new ATOM 0 HB VAL A 6 8.875 -2.904 4.428 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.196 -4.713 4.296 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.678 -3.432 5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.964 -3.534 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.554 -4.145 2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 6 7.341 -2.947 1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 6 9.041 -2.461 1.989 1.00 0.00 H new ATOM 78 N THR A 7 5.767 -0.395 5.317 1.00 0.00 N ATOM 79 CA THR A 7 5.125 0.040 6.600 1.00 0.00 C ATOM 80 C THR A 7 5.602 1.470 6.847 1.00 0.00 C ATOM 81 O THR A 7 4.840 2.343 7.211 1.00 0.00 O ATOM 82 CB THR A 7 5.499 -0.866 7.784 1.00 0.00 C ATOM 83 OG1 THR A 7 6.762 -0.481 8.309 1.00 0.00 O ATOM 84 CG2 THR A 7 5.540 -2.328 7.331 1.00 0.00 C ATOM 0 H THR A 7 5.218 -0.193 4.481 1.00 0.00 H new ATOM 0 HA THR A 7 4.040 -0.022 6.516 1.00 0.00 H new ATOM 0 HB THR A 7 4.746 -0.760 8.565 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.473 -0.793 7.712 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.806 -2.963 8.176 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.560 -2.619 6.952 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.283 -2.444 6.542 1.00 0.00 H new ATOM 92 N GLU A 8 6.856 1.726 6.576 1.00 0.00 N ATOM 93 CA GLU A 8 7.392 3.102 6.701 1.00 0.00 C ATOM 94 C GLU A 8 7.460 3.674 5.281 1.00 0.00 C ATOM 95 O GLU A 8 7.772 4.829 5.069 1.00 0.00 O ATOM 96 CB GLU A 8 8.798 3.052 7.303 1.00 0.00 C ATOM 97 CG GLU A 8 8.756 3.553 8.748 1.00 0.00 C ATOM 98 CD GLU A 8 10.154 3.461 9.362 1.00 0.00 C ATOM 99 OE1 GLU A 8 11.096 3.873 8.704 1.00 0.00 O ATOM 100 OE2 GLU A 8 10.260 2.982 10.478 1.00 0.00 O ATOM 0 H GLU A 8 7.534 1.028 6.270 1.00 0.00 H new ATOM 0 HA GLU A 8 6.764 3.716 7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.182 2.032 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.479 3.667 6.714 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.402 4.584 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.052 2.958 9.330 1.00 0.00 H new ATOM 107 N LEU A 9 7.169 2.842 4.306 1.00 0.00 N ATOM 108 CA LEU A 9 7.206 3.269 2.883 1.00 0.00 C ATOM 109 C LEU A 9 5.774 3.435 2.367 1.00 0.00 C ATOM 110 O LEU A 9 5.413 4.467 1.838 1.00 0.00 O ATOM 111 CB LEU A 9 7.913 2.173 2.072 1.00 0.00 C ATOM 112 CG LEU A 9 9.455 2.265 2.190 1.00 0.00 C ATOM 113 CD1 LEU A 9 10.056 2.419 0.798 1.00 0.00 C ATOM 114 CD2 LEU A 9 9.889 3.451 3.060 1.00 0.00 C ATOM 0 H LEU A 9 6.903 1.868 4.448 1.00 0.00 H new ATOM 0 HA LEU A 9 7.736 4.216 2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.581 1.194 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.624 2.255 1.024 1.00 0.00 H new ATOM 0 HG LEU A 9 9.812 1.350 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.141 2.484 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.787 1.557 0.188 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.670 3.326 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.977 3.481 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.524 4.379 2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.475 3.338 4.062 1.00 0.00 H new ATOM 126 N ILE A 10 4.949 2.432 2.528 1.00 0.00 N ATOM 127 CA ILE A 10 3.543 2.554 2.056 1.00 0.00 C ATOM 128 C ILE A 10 2.870 3.637 2.887 1.00 0.00 C ATOM 129 O ILE A 10 2.335 4.596 2.373 1.00 0.00 O ATOM 130 CB ILE A 10 2.792 1.224 2.260 1.00 0.00 C ATOM 131 CG1 ILE A 10 2.971 0.332 1.027 1.00 0.00 C ATOM 132 CG2 ILE A 10 1.292 1.496 2.472 1.00 0.00 C ATOM 133 CD1 ILE A 10 2.058 -0.892 1.151 1.00 0.00 C ATOM 0 H ILE A 10 5.189 1.541 2.963 1.00 0.00 H new ATOM 0 HA ILE A 10 3.527 2.803 0.995 1.00 0.00 H new ATOM 0 HB ILE A 10 3.199 0.721 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.730 0.890 0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.011 0.017 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.768 0.551 2.615 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.157 2.123 3.353 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.888 2.006 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.183 -1.529 0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.321 -1.453 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.020 -0.566 1.218 1.00 0.00 H new ATOM 145 N THR A 11 2.892 3.469 4.177 1.00 0.00 N ATOM 146 CA THR A 11 2.255 4.462 5.069 1.00 0.00 C ATOM 147 C THR A 11 2.807 5.849 4.748 1.00 0.00 C ATOM 148 O THR A 11 2.111 6.840 4.843 1.00 0.00 O ATOM 149 CB THR A 11 2.555 4.093 6.521 1.00 0.00 C ATOM 150 OG1 THR A 11 2.614 2.679 6.642 1.00 0.00 O ATOM 151 CG2 THR A 11 1.451 4.636 7.425 1.00 0.00 C ATOM 0 H THR A 11 3.328 2.679 4.652 1.00 0.00 H new ATOM 0 HA THR A 11 1.175 4.467 4.919 1.00 0.00 H new ATOM 0 HB THR A 11 3.510 4.526 6.818 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.359 2.432 7.229 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.666 4.372 8.461 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.403 5.721 7.329 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.495 4.203 7.131 1.00 0.00 H new ATOM 159 N LYS A 12 4.045 5.927 4.344 1.00 0.00 N ATOM 160 CA LYS A 12 4.616 7.253 3.988 1.00 0.00 C ATOM 161 C LYS A 12 3.791 7.811 2.832 1.00 0.00 C ATOM 162 O LYS A 12 3.423 8.969 2.810 1.00 0.00 O ATOM 163 CB LYS A 12 6.074 7.089 3.554 1.00 0.00 C ATOM 164 CG LYS A 12 6.993 7.670 4.628 1.00 0.00 C ATOM 165 CD LYS A 12 7.716 8.898 4.071 1.00 0.00 C ATOM 166 CE LYS A 12 8.460 8.516 2.791 1.00 0.00 C ATOM 167 NZ LYS A 12 9.882 8.948 2.894 1.00 0.00 N ATOM 0 H LYS A 12 4.681 5.135 4.246 1.00 0.00 H new ATOM 0 HA LYS A 12 4.586 7.928 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.302 6.035 3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.241 7.596 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.412 7.945 5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.718 6.921 4.945 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.999 9.692 3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.417 9.286 4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.407 7.439 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.987 8.987 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.388 8.688 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.923 9.979 3.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.329 8.479 3.707 1.00 0.00 H new ATOM 181 N ALA A 13 3.479 6.973 1.881 1.00 0.00 N ATOM 182 CA ALA A 13 2.652 7.415 0.727 1.00 0.00 C ATOM 183 C ALA A 13 1.178 7.396 1.143 1.00 0.00 C ATOM 184 O ALA A 13 0.313 7.868 0.433 1.00 0.00 O ATOM 185 CB ALA A 13 2.863 6.452 -0.445 1.00 0.00 C ATOM 0 H ALA A 13 3.765 5.994 1.856 1.00 0.00 H new ATOM 0 HA ALA A 13 2.940 8.422 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.258 6.773 -1.293 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.915 6.450 -0.730 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.566 5.446 -0.148 1.00 0.00 H new ATOM 191 N VAL A 14 0.890 6.849 2.297 1.00 0.00 N ATOM 192 CA VAL A 14 -0.519 6.792 2.771 1.00 0.00 C ATOM 193 C VAL A 14 -0.959 8.187 3.220 1.00 0.00 C ATOM 194 O VAL A 14 -2.123 8.530 3.165 1.00 0.00 O ATOM 195 CB VAL A 14 -0.624 5.817 3.944 1.00 0.00 C ATOM 196 CG1 VAL A 14 -1.946 6.032 4.682 1.00 0.00 C ATOM 197 CG2 VAL A 14 -0.573 4.382 3.413 1.00 0.00 C ATOM 0 H VAL A 14 1.576 6.439 2.931 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.164 6.451 1.961 1.00 0.00 H new ATOM 0 HB VAL A 14 0.205 5.990 4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.014 5.334 5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.990 7.054 5.059 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.777 5.861 3.997 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.648 3.683 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.404 4.218 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.369 4.222 2.888 1.00 0.00 H new ATOM 207 N SER A 15 -0.033 8.993 3.669 1.00 0.00 N ATOM 208 CA SER A 15 -0.392 10.365 4.126 1.00 0.00 C ATOM 209 C SER A 15 -1.387 10.984 3.145 1.00 0.00 C ATOM 210 O SER A 15 -2.283 11.709 3.529 1.00 0.00 O ATOM 211 CB SER A 15 0.868 11.228 4.189 1.00 0.00 C ATOM 212 OG SER A 15 0.796 12.082 5.323 1.00 0.00 O ATOM 0 H SER A 15 0.957 8.759 3.738 1.00 0.00 H new ATOM 0 HA SER A 15 -0.844 10.312 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.753 10.595 4.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.963 11.820 3.279 1.00 0.00 H new ATOM 0 HG SER A 15 1.603 12.636 5.367 1.00 0.00 H new ATOM 218 N ALA A 16 -1.242 10.698 1.881 1.00 0.00 N ATOM 219 CA ALA A 16 -2.185 11.265 0.879 1.00 0.00 C ATOM 220 C ALA A 16 -3.466 10.431 0.869 1.00 0.00 C ATOM 221 O ALA A 16 -4.510 10.880 1.300 1.00 0.00 O ATOM 222 CB ALA A 16 -1.540 11.229 -0.508 1.00 0.00 C ATOM 0 H ALA A 16 -0.512 10.097 1.500 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.421 12.297 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.231 11.644 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.623 11.819 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.305 10.198 -0.774 1.00 0.00 H new ATOM 228 N SER A 17 -3.388 9.216 0.388 1.00 0.00 N ATOM 229 CA SER A 17 -4.595 8.337 0.348 1.00 0.00 C ATOM 230 C SER A 17 -5.833 9.165 -0.010 1.00 0.00 C ATOM 231 O SER A 17 -5.755 10.127 -0.748 1.00 0.00 O ATOM 232 CB SER A 17 -4.791 7.684 1.717 1.00 0.00 C ATOM 233 OG SER A 17 -3.583 7.049 2.111 1.00 0.00 O ATOM 0 H SER A 17 -2.536 8.794 0.020 1.00 0.00 H new ATOM 0 HA SER A 17 -4.454 7.565 -0.409 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.078 8.435 2.453 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.601 6.956 1.673 1.00 0.00 H new ATOM 0 HG SER A 17 -3.128 7.599 2.783 1.00 0.00 H new ATOM 239 N LYS A 18 -6.974 8.801 0.510 1.00 0.00 N ATOM 240 CA LYS A 18 -8.213 9.569 0.202 1.00 0.00 C ATOM 241 C LYS A 18 -8.314 9.799 -1.307 1.00 0.00 C ATOM 242 O LYS A 18 -7.955 10.844 -1.812 1.00 0.00 O ATOM 243 CB LYS A 18 -8.169 10.919 0.921 1.00 0.00 C ATOM 244 CG LYS A 18 -8.727 10.761 2.337 1.00 0.00 C ATOM 245 CD LYS A 18 -10.122 11.384 2.409 1.00 0.00 C ATOM 246 CE LYS A 18 -11.124 10.337 2.900 1.00 0.00 C ATOM 247 NZ LYS A 18 -11.041 10.227 4.383 1.00 0.00 N ATOM 0 H LYS A 18 -7.101 8.005 1.135 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.081 9.004 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.144 11.288 0.962 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.752 11.656 0.369 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.774 9.705 2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.065 11.243 3.056 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.115 12.240 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.418 11.754 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.134 10.617 2.601 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.912 9.372 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.722 9.515 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.079 9.941 4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.264 11.148 4.812 1.00 0.00 H new ATOM 261 N GLU A 19 -8.803 8.830 -2.031 1.00 0.00 N ATOM 262 CA GLU A 19 -8.932 8.992 -3.506 1.00 0.00 C ATOM 263 C GLU A 19 -10.296 8.467 -3.954 1.00 0.00 C ATOM 264 O GLU A 19 -10.476 8.059 -5.083 1.00 0.00 O ATOM 265 CB GLU A 19 -7.824 8.202 -4.206 1.00 0.00 C ATOM 266 CG GLU A 19 -6.611 9.108 -4.426 1.00 0.00 C ATOM 267 CD GLU A 19 -6.907 10.093 -5.558 1.00 0.00 C ATOM 268 OE1 GLU A 19 -7.511 9.678 -6.534 1.00 0.00 O ATOM 269 OE2 GLU A 19 -6.526 11.244 -5.430 1.00 0.00 O ATOM 0 H GLU A 19 -9.119 7.932 -1.664 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.843 10.047 -3.767 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.542 7.339 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.184 7.820 -5.161 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.378 9.650 -3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.735 8.507 -4.672 1.00 0.00 H new ATOM 276 N ARG A 20 -11.257 8.474 -3.071 1.00 0.00 N ATOM 277 CA ARG A 20 -12.616 7.976 -3.430 1.00 0.00 C ATOM 278 C ARG A 20 -12.519 6.521 -3.911 1.00 0.00 C ATOM 279 O ARG A 20 -13.433 5.996 -4.514 1.00 0.00 O ATOM 280 CB ARG A 20 -13.225 8.888 -4.518 1.00 0.00 C ATOM 281 CG ARG A 20 -13.179 8.221 -5.902 1.00 0.00 C ATOM 282 CD ARG A 20 -13.131 9.297 -6.987 1.00 0.00 C ATOM 283 NE ARG A 20 -13.145 8.650 -8.329 1.00 0.00 N ATOM 284 CZ ARG A 20 -14.189 8.772 -9.102 1.00 0.00 C ATOM 285 NH1 ARG A 20 -14.622 9.958 -9.431 1.00 0.00 N ATOM 286 NH2 ARG A 20 -14.800 7.708 -9.546 1.00 0.00 N ATOM 0 H ARG A 20 -11.159 8.805 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.268 8.002 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -14.258 9.124 -4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.681 9.832 -4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -12.304 7.575 -5.977 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.055 7.588 -6.041 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.984 9.968 -6.886 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -12.233 9.904 -6.873 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.338 8.111 -8.644 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.144 10.790 -9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -15.438 10.053 -10.035 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -14.461 6.781 -9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -15.616 7.803 -10.150 1.00 0.00 H new ATOM 300 N LYS A 21 -11.418 5.870 -3.647 1.00 0.00 N ATOM 301 CA LYS A 21 -11.263 4.455 -4.087 1.00 0.00 C ATOM 302 C LYS A 21 -9.836 3.986 -3.796 1.00 0.00 C ATOM 303 O LYS A 21 -9.613 2.868 -3.381 1.00 0.00 O ATOM 304 CB LYS A 21 -11.536 4.351 -5.590 1.00 0.00 C ATOM 305 CG LYS A 21 -11.218 2.934 -6.071 1.00 0.00 C ATOM 306 CD LYS A 21 -11.270 2.889 -7.599 1.00 0.00 C ATOM 307 CE LYS A 21 -9.888 3.216 -8.167 1.00 0.00 C ATOM 308 NZ LYS A 21 -9.901 4.590 -8.744 1.00 0.00 N ATOM 0 H LYS A 21 -10.619 6.258 -3.145 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.972 3.828 -3.546 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.579 4.591 -5.798 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.927 5.075 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.230 2.633 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.934 2.227 -5.651 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.588 1.902 -7.934 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.005 3.603 -7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.135 3.147 -7.382 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.617 2.490 -8.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.967 5.029 -8.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.124 4.538 -9.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.621 5.163 -8.260 1.00 0.00 H new ATOM 322 N GLY A 22 -8.867 4.831 -4.011 1.00 0.00 N ATOM 323 CA GLY A 22 -7.457 4.428 -3.745 1.00 0.00 C ATOM 324 C GLY A 22 -6.661 4.458 -5.050 1.00 0.00 C ATOM 325 O GLY A 22 -6.877 5.302 -5.898 1.00 0.00 O ATOM 0 H GLY A 22 -8.989 5.782 -4.359 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.006 5.102 -3.017 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.429 3.428 -3.313 1.00 0.00 H new ATOM 329 N LEU A 23 -5.738 3.549 -5.222 1.00 0.00 N ATOM 330 CA LEU A 23 -4.934 3.543 -6.478 1.00 0.00 C ATOM 331 C LEU A 23 -4.893 2.125 -7.063 1.00 0.00 C ATOM 332 O LEU A 23 -4.298 1.893 -8.097 1.00 0.00 O ATOM 333 CB LEU A 23 -3.504 4.028 -6.199 1.00 0.00 C ATOM 334 CG LEU A 23 -3.461 4.884 -4.926 1.00 0.00 C ATOM 335 CD1 LEU A 23 -2.825 4.084 -3.792 1.00 0.00 C ATOM 336 CD2 LEU A 23 -2.635 6.149 -5.183 1.00 0.00 C ATOM 0 H LEU A 23 -5.507 2.815 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.402 4.217 -7.195 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.839 3.171 -6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.140 4.609 -7.046 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.477 5.165 -4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.795 4.694 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.414 3.186 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.810 3.800 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.606 6.755 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.620 5.870 -5.465 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.091 6.723 -5.990 1.00 0.00 H new ATOM 348 N SER A 24 -5.533 1.183 -6.415 1.00 0.00 N ATOM 349 CA SER A 24 -5.558 -0.222 -6.929 1.00 0.00 C ATOM 350 C SER A 24 -4.293 -0.978 -6.509 1.00 0.00 C ATOM 351 O SER A 24 -3.888 -1.924 -7.155 1.00 0.00 O ATOM 352 CB SER A 24 -5.659 -0.213 -8.455 1.00 0.00 C ATOM 353 OG SER A 24 -6.588 -1.206 -8.870 1.00 0.00 O ATOM 0 H SER A 24 -6.044 1.329 -5.544 1.00 0.00 H new ATOM 0 HA SER A 24 -6.426 -0.727 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.979 0.769 -8.804 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.681 -0.406 -8.897 1.00 0.00 H new ATOM 0 HG SER A 24 -6.656 -1.202 -9.848 1.00 0.00 H new ATOM 359 N LEU A 25 -3.673 -0.590 -5.427 1.00 0.00 N ATOM 360 CA LEU A 25 -2.450 -1.316 -4.973 1.00 0.00 C ATOM 361 C LEU A 25 -1.342 -1.174 -6.026 1.00 0.00 C ATOM 362 O LEU A 25 -0.311 -1.809 -5.945 1.00 0.00 O ATOM 363 CB LEU A 25 -2.836 -2.795 -4.739 1.00 0.00 C ATOM 364 CG LEU A 25 -2.152 -3.749 -5.734 1.00 0.00 C ATOM 365 CD1 LEU A 25 -0.797 -4.188 -5.175 1.00 0.00 C ATOM 366 CD2 LEU A 25 -3.035 -4.983 -5.934 1.00 0.00 C ATOM 0 H LEU A 25 -3.958 0.194 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.065 -0.897 -4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.565 -3.081 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.917 -2.902 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.005 -3.238 -6.686 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.314 -4.864 -5.881 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.166 -3.313 -5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.944 -4.701 -4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.556 -5.663 -6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.175 -5.489 -4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.004 -4.677 -6.328 1.00 0.00 H new ATOM 378 N ALA A 26 -1.544 -0.348 -7.012 1.00 0.00 N ATOM 379 CA ALA A 26 -0.499 -0.182 -8.059 1.00 0.00 C ATOM 380 C ALA A 26 -0.020 1.269 -8.085 1.00 0.00 C ATOM 381 O ALA A 26 0.469 1.756 -9.085 1.00 0.00 O ATOM 382 CB ALA A 26 -1.084 -0.554 -9.422 1.00 0.00 C ATOM 0 H ALA A 26 -2.383 0.217 -7.139 1.00 0.00 H new ATOM 0 HA ALA A 26 0.346 -0.833 -7.834 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.321 -0.433 -10.191 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.419 -1.591 -9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.930 0.097 -9.645 1.00 0.00 H new ATOM 388 N ALA A 27 -0.144 1.957 -6.987 1.00 0.00 N ATOM 389 CA ALA A 27 0.315 3.371 -6.931 1.00 0.00 C ATOM 390 C ALA A 27 0.936 3.618 -5.560 1.00 0.00 C ATOM 391 O ALA A 27 2.106 3.908 -5.447 1.00 0.00 O ATOM 392 CB ALA A 27 -0.867 4.309 -7.139 1.00 0.00 C ATOM 0 H ALA A 27 -0.546 1.599 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 27 1.048 3.558 -7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.523 5.342 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.318 4.116 -8.113 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.607 4.141 -6.357 1.00 0.00 H new ATOM 398 N LEU A 28 0.170 3.487 -4.512 1.00 0.00 N ATOM 399 CA LEU A 28 0.746 3.690 -3.152 1.00 0.00 C ATOM 400 C LEU A 28 1.950 2.761 -2.991 1.00 0.00 C ATOM 401 O LEU A 28 2.929 3.097 -2.355 1.00 0.00 O ATOM 402 CB LEU A 28 -0.317 3.349 -2.096 1.00 0.00 C ATOM 403 CG LEU A 28 0.332 3.057 -0.732 1.00 0.00 C ATOM 404 CD1 LEU A 28 0.501 4.367 0.037 1.00 0.00 C ATOM 405 CD2 LEU A 28 -0.568 2.124 0.066 1.00 0.00 C ATOM 0 H LEU A 28 -0.822 3.250 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 28 1.058 4.726 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.017 4.179 -1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.893 2.483 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 28 1.305 2.589 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.961 4.164 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.138 5.044 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.475 4.828 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.110 1.916 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.538 2.597 0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.701 1.191 -0.481 1.00 0.00 H new ATOM 417 N LYS A 29 1.882 1.594 -3.568 1.00 0.00 N ATOM 418 CA LYS A 29 3.015 0.640 -3.455 1.00 0.00 C ATOM 419 C LYS A 29 3.817 0.699 -4.758 1.00 0.00 C ATOM 420 O LYS A 29 4.899 0.156 -4.860 1.00 0.00 O ATOM 421 CB LYS A 29 2.493 -0.789 -3.195 1.00 0.00 C ATOM 422 CG LYS A 29 1.939 -0.894 -1.758 1.00 0.00 C ATOM 423 CD LYS A 29 0.821 0.137 -1.547 1.00 0.00 C ATOM 424 CE LYS A 29 -0.241 0.060 -2.657 1.00 0.00 C ATOM 425 NZ LYS A 29 -1.580 -0.157 -2.034 1.00 0.00 N ATOM 0 H LYS A 29 1.088 1.261 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 29 3.654 0.911 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.712 -1.036 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.297 -1.511 -3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.556 -1.899 -1.580 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.740 -0.726 -1.038 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.349 -0.031 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.250 1.139 -1.522 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.242 0.980 -3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.009 -0.754 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.057 -0.952 -2.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.462 -0.373 -1.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.155 0.703 -2.139 1.00 0.00 H new ATOM 439 N LYS A 30 3.305 1.395 -5.746 1.00 0.00 N ATOM 440 CA LYS A 30 4.042 1.539 -7.027 1.00 0.00 C ATOM 441 C LYS A 30 4.739 2.903 -7.023 1.00 0.00 C ATOM 442 O LYS A 30 5.425 3.270 -7.956 1.00 0.00 O ATOM 443 CB LYS A 30 3.062 1.466 -8.199 1.00 0.00 C ATOM 444 CG LYS A 30 2.556 0.031 -8.355 1.00 0.00 C ATOM 445 CD LYS A 30 3.679 -0.848 -8.909 1.00 0.00 C ATOM 446 CE LYS A 30 3.160 -2.272 -9.113 1.00 0.00 C ATOM 447 NZ LYS A 30 3.317 -2.658 -10.544 1.00 0.00 N ATOM 0 H LYS A 30 2.403 1.869 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 30 4.774 0.738 -7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.224 2.141 -8.028 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.552 1.792 -9.117 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.220 -0.354 -7.392 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.697 0.008 -9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.040 -0.442 -9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.524 -0.853 -8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.709 -2.965 -8.476 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.111 -2.334 -8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.964 -3.626 -10.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.774 -2.003 -11.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.322 -2.615 -10.807 1.00 0.00 H new ATOM 461 N ALA A 31 4.581 3.645 -5.954 1.00 0.00 N ATOM 462 CA ALA A 31 5.242 4.970 -5.846 1.00 0.00 C ATOM 463 C ALA A 31 6.530 4.750 -5.075 1.00 0.00 C ATOM 464 O ALA A 31 7.531 5.403 -5.291 1.00 0.00 O ATOM 465 CB ALA A 31 4.338 5.940 -5.080 1.00 0.00 C ATOM 0 H ALA A 31 4.016 3.381 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 31 5.438 5.395 -6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.828 6.911 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.392 6.052 -5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.150 5.549 -4.080 1.00 0.00 H new ATOM 471 N LEU A 32 6.506 3.791 -4.194 1.00 0.00 N ATOM 472 CA LEU A 32 7.718 3.461 -3.413 1.00 0.00 C ATOM 473 C LEU A 32 8.672 2.738 -4.345 1.00 0.00 C ATOM 474 O LEU A 32 9.872 2.907 -4.286 1.00 0.00 O ATOM 475 CB LEU A 32 7.349 2.536 -2.261 1.00 0.00 C ATOM 476 CG LEU A 32 6.085 3.036 -1.566 1.00 0.00 C ATOM 477 CD1 LEU A 32 5.480 1.889 -0.774 1.00 0.00 C ATOM 478 CD2 LEU A 32 6.462 4.174 -0.621 1.00 0.00 C ATOM 0 H LEU A 32 5.688 3.219 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 32 8.173 4.365 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.191 1.524 -2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.171 2.488 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 32 5.362 3.396 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.575 2.231 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.232 1.071 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.198 1.541 -0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.567 4.541 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.173 3.810 0.121 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.916 4.985 -1.191 1.00 0.00 H new ATOM 490 N ALA A 33 8.128 1.954 -5.236 1.00 0.00 N ATOM 491 CA ALA A 33 8.973 1.228 -6.215 1.00 0.00 C ATOM 492 C ALA A 33 9.302 2.174 -7.369 1.00 0.00 C ATOM 493 O ALA A 33 9.680 1.750 -8.441 1.00 0.00 O ATOM 494 CB ALA A 33 8.211 0.015 -6.751 1.00 0.00 C ATOM 0 H ALA A 33 7.126 1.787 -5.325 1.00 0.00 H new ATOM 0 HA ALA A 33 9.891 0.888 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.834 -0.517 -7.470 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.960 -0.651 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.295 0.348 -7.240 1.00 0.00 H new ATOM 500 N ALA A 34 9.156 3.456 -7.156 1.00 0.00 N ATOM 501 CA ALA A 34 9.463 4.432 -8.238 1.00 0.00 C ATOM 502 C ALA A 34 10.743 4.004 -8.960 1.00 0.00 C ATOM 503 O ALA A 34 10.939 4.307 -10.121 1.00 0.00 O ATOM 504 CB ALA A 34 9.663 5.823 -7.631 1.00 0.00 C ATOM 0 H ALA A 34 8.837 3.867 -6.279 1.00 0.00 H new ATOM 0 HA ALA A 34 8.635 4.461 -8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.888 6.537 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.753 6.129 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.491 5.795 -6.922 1.00 0.00 H new ATOM 510 N GLY A 35 11.619 3.301 -8.287 1.00 0.00 N ATOM 511 CA GLY A 35 12.882 2.862 -8.951 1.00 0.00 C ATOM 512 C GLY A 35 13.329 1.500 -8.402 1.00 0.00 C ATOM 513 O GLY A 35 14.497 1.280 -8.151 1.00 0.00 O ATOM 0 H GLY A 35 11.515 3.014 -7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.730 2.795 -10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 35 13.664 3.603 -8.785 1.00 0.00 H new ATOM 517 N GLY A 36 12.416 0.583 -8.213 1.00 0.00 N ATOM 518 CA GLY A 36 12.802 -0.755 -7.683 1.00 0.00 C ATOM 519 C GLY A 36 13.152 -0.618 -6.205 1.00 0.00 C ATOM 520 O GLY A 36 14.307 -0.558 -5.834 1.00 0.00 O ATOM 0 H GLY A 36 11.421 0.704 -8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.983 -1.462 -7.813 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.654 -1.149 -8.237 1.00 0.00 H new ATOM 524 N TYR A 37 12.165 -0.546 -5.358 1.00 0.00 N ATOM 525 CA TYR A 37 12.455 -0.389 -3.906 1.00 0.00 C ATOM 526 C TYR A 37 12.118 -1.675 -3.142 1.00 0.00 C ATOM 527 O TYR A 37 12.454 -1.806 -1.987 1.00 0.00 O ATOM 528 CB TYR A 37 11.641 0.806 -3.354 1.00 0.00 C ATOM 529 CG TYR A 37 10.738 0.347 -2.234 1.00 0.00 C ATOM 530 CD1 TYR A 37 11.262 0.150 -0.957 1.00 0.00 C ATOM 531 CD2 TYR A 37 9.391 0.077 -2.489 1.00 0.00 C ATOM 532 CE1 TYR A 37 10.439 -0.313 0.069 1.00 0.00 C ATOM 533 CE2 TYR A 37 8.568 -0.388 -1.461 1.00 0.00 C ATOM 534 CZ TYR A 37 9.093 -0.583 -0.181 1.00 0.00 C ATOM 535 OH TYR A 37 8.278 -1.038 0.835 1.00 0.00 O ATOM 0 H TYR A 37 11.176 -0.589 -5.605 1.00 0.00 H new ATOM 0 HA TYR A 37 13.519 -0.194 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 37 12.317 1.580 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.046 1.250 -4.152 1.00 0.00 H new ATOM 0 HD1 TYR A 37 12.304 0.356 -0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.987 0.228 -3.479 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.844 -0.463 1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.526 -0.597 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 37 7.340 -0.948 0.567 1.00 0.00 H new ATOM 545 N ASP A 38 11.484 -2.605 -3.796 1.00 0.00 N ATOM 546 CA ASP A 38 11.103 -3.915 -3.163 1.00 0.00 C ATOM 547 C ASP A 38 9.668 -4.316 -3.550 1.00 0.00 C ATOM 548 O ASP A 38 9.074 -5.188 -2.947 1.00 0.00 O ATOM 549 CB ASP A 38 11.183 -3.878 -1.631 1.00 0.00 C ATOM 550 CG ASP A 38 12.615 -4.181 -1.179 1.00 0.00 C ATOM 551 OD1 ASP A 38 13.527 -3.909 -1.944 1.00 0.00 O ATOM 552 OD2 ASP A 38 12.775 -4.677 -0.076 1.00 0.00 O ATOM 0 H ASP A 38 11.202 -2.517 -4.772 1.00 0.00 H new ATOM 0 HA ASP A 38 11.822 -4.643 -3.537 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.876 -2.898 -1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.495 -4.608 -1.204 1.00 0.00 H new ATOM 557 N VAL A 39 9.130 -3.717 -4.565 1.00 0.00 N ATOM 558 CA VAL A 39 7.775 -4.057 -5.036 1.00 0.00 C ATOM 559 C VAL A 39 7.951 -4.409 -6.510 1.00 0.00 C ATOM 560 O VAL A 39 7.583 -5.466 -6.968 1.00 0.00 O ATOM 561 CB VAL A 39 6.817 -2.849 -4.858 1.00 0.00 C ATOM 562 CG1 VAL A 39 7.571 -1.644 -4.280 1.00 0.00 C ATOM 563 CG2 VAL A 39 6.207 -2.431 -6.204 1.00 0.00 C ATOM 0 H VAL A 39 9.591 -2.983 -5.103 1.00 0.00 H new ATOM 0 HA VAL A 39 7.334 -4.880 -4.474 1.00 0.00 H new ATOM 0 HB VAL A 39 6.026 -3.159 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.883 -0.807 -4.162 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.990 -1.909 -3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.376 -1.360 -4.957 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.539 -1.583 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.003 -2.148 -6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.645 -3.265 -6.623 1.00 0.00 H new ATOM 573 N GLU A 40 8.567 -3.523 -7.241 1.00 0.00 N ATOM 574 CA GLU A 40 8.838 -3.801 -8.666 1.00 0.00 C ATOM 575 C GLU A 40 10.120 -4.624 -8.725 1.00 0.00 C ATOM 576 O GLU A 40 10.401 -5.309 -9.689 1.00 0.00 O ATOM 577 CB GLU A 40 9.020 -2.490 -9.437 1.00 0.00 C ATOM 578 CG GLU A 40 9.452 -2.799 -10.872 1.00 0.00 C ATOM 579 CD GLU A 40 8.489 -2.129 -11.855 1.00 0.00 C ATOM 580 OE1 GLU A 40 7.406 -1.758 -11.433 1.00 0.00 O ATOM 581 OE2 GLU A 40 8.850 -2.001 -13.014 1.00 0.00 O ATOM 0 H GLU A 40 8.893 -2.617 -6.906 1.00 0.00 H new ATOM 0 HA GLU A 40 8.007 -4.341 -9.119 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.088 -1.925 -9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.768 -1.868 -8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.468 -2.441 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.462 -3.877 -11.035 1.00 0.00 H new ATOM 588 N LYS A 41 10.891 -4.568 -7.672 1.00 0.00 N ATOM 589 CA LYS A 41 12.151 -5.344 -7.612 1.00 0.00 C ATOM 590 C LYS A 41 11.971 -6.487 -6.620 1.00 0.00 C ATOM 591 O LYS A 41 12.472 -7.577 -6.814 1.00 0.00 O ATOM 592 CB LYS A 41 13.284 -4.439 -7.126 1.00 0.00 C ATOM 593 CG LYS A 41 14.610 -5.202 -7.188 1.00 0.00 C ATOM 594 CD LYS A 41 15.734 -4.313 -6.651 1.00 0.00 C ATOM 595 CE LYS A 41 16.672 -3.924 -7.795 1.00 0.00 C ATOM 596 NZ LYS A 41 17.754 -4.941 -7.919 1.00 0.00 N ATOM 0 H LYS A 41 10.693 -4.008 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 41 12.394 -5.734 -8.601 1.00 0.00 H new ATOM 0 HB2 LYS A 41 13.339 -3.543 -7.744 1.00 0.00 H new ATOM 0 HB3 LYS A 41 13.089 -4.110 -6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 41 14.543 -6.117 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 41 14.824 -5.498 -8.215 1.00 0.00 H new ATOM 0 HD2 LYS A 41 15.315 -3.418 -6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 41 16.289 -4.840 -5.875 1.00 0.00 H new ATOM 0 HE2 LYS A 41 16.114 -3.855 -8.729 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.103 -2.940 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.392 -4.676 -8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.292 -4.986 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 17.334 -5.872 -8.117 1.00 0.00 H new ATOM 610 N ASN A 42 11.256 -6.249 -5.548 1.00 0.00 N ATOM 611 CA ASN A 42 11.051 -7.324 -4.548 1.00 0.00 C ATOM 612 C ASN A 42 9.549 -7.481 -4.332 1.00 0.00 C ATOM 613 O ASN A 42 9.090 -7.739 -3.243 1.00 0.00 O ATOM 614 CB ASN A 42 11.760 -6.954 -3.237 1.00 0.00 C ATOM 615 CG ASN A 42 13.183 -6.449 -3.543 1.00 0.00 C ATOM 616 OD1 ASN A 42 13.504 -6.134 -4.667 1.00 0.00 O ATOM 617 ND2 ASN A 42 14.057 -6.362 -2.583 1.00 0.00 N ATOM 0 H ASN A 42 10.810 -5.358 -5.329 1.00 0.00 H new ATOM 0 HA ASN A 42 11.471 -8.267 -4.898 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.195 -6.184 -2.711 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.805 -7.822 -2.579 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.001 -6.031 -2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.798 -6.625 -1.632 1.00 0.00 H new ATOM 624 N ASN A 43 8.803 -7.303 -5.397 1.00 0.00 N ATOM 625 CA ASN A 43 7.306 -7.411 -5.373 1.00 0.00 C ATOM 626 C ASN A 43 6.815 -8.332 -4.262 1.00 0.00 C ATOM 627 O ASN A 43 5.770 -8.107 -3.686 1.00 0.00 O ATOM 628 CB ASN A 43 6.827 -7.963 -6.721 1.00 0.00 C ATOM 629 CG ASN A 43 7.157 -9.455 -6.809 1.00 0.00 C ATOM 630 OD1 ASN A 43 6.275 -10.276 -6.968 1.00 0.00 O ATOM 631 ND2 ASN A 43 8.399 -9.843 -6.714 1.00 0.00 N ATOM 0 H ASN A 43 9.184 -7.079 -6.316 1.00 0.00 H new ATOM 0 HA ASN A 43 6.901 -6.416 -5.188 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.753 -7.811 -6.827 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.308 -7.425 -7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.629 -10.835 -6.773 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.140 -9.154 -6.581 1.00 0.00 H new ATOM 638 N SER A 44 7.536 -9.367 -3.952 1.00 0.00 N ATOM 639 CA SER A 44 7.068 -10.281 -2.878 1.00 0.00 C ATOM 640 C SER A 44 7.269 -9.651 -1.498 1.00 0.00 C ATOM 641 O SER A 44 7.273 -10.346 -0.501 1.00 0.00 O ATOM 642 CB SER A 44 7.843 -11.589 -2.940 1.00 0.00 C ATOM 643 OG SER A 44 9.233 -11.306 -3.043 1.00 0.00 O ATOM 0 H SER A 44 8.422 -9.620 -4.390 1.00 0.00 H new ATOM 0 HA SER A 44 6.005 -10.467 -3.032 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.646 -12.184 -2.048 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.516 -12.179 -3.796 1.00 0.00 H new ATOM 0 HG SER A 44 9.736 -12.146 -3.081 1.00 0.00 H new ATOM 649 N ARG A 45 7.406 -8.353 -1.399 1.00 0.00 N ATOM 650 CA ARG A 45 7.564 -7.767 -0.048 1.00 0.00 C ATOM 651 C ARG A 45 6.501 -6.691 0.130 1.00 0.00 C ATOM 652 O ARG A 45 5.953 -6.528 1.192 1.00 0.00 O ATOM 653 CB ARG A 45 8.995 -7.218 0.163 1.00 0.00 C ATOM 654 CG ARG A 45 9.000 -5.695 0.350 1.00 0.00 C ATOM 655 CD ARG A 45 10.322 -5.272 0.991 1.00 0.00 C ATOM 656 NE ARG A 45 10.267 -5.537 2.456 1.00 0.00 N ATOM 657 CZ ARG A 45 11.365 -5.533 3.160 1.00 0.00 C ATOM 658 NH1 ARG A 45 12.265 -6.458 2.969 1.00 0.00 N ATOM 659 NH2 ARG A 45 11.562 -4.603 4.054 1.00 0.00 N ATOM 0 H ARG A 45 7.415 -7.694 -2.177 1.00 0.00 H new ATOM 0 HA ARG A 45 7.425 -8.535 0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.441 -7.693 1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.615 -7.481 -0.694 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.873 -5.198 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.163 -5.391 0.979 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.149 -5.821 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 45 10.506 -4.213 0.808 1.00 0.00 H new ATOM 0 HE ARG A 45 9.371 -5.721 2.908 1.00 0.00 H new ATOM 0 HH11 ARG A 45 12.110 -7.184 2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 45 13.124 -6.455 3.519 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.858 -3.880 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.420 -4.599 4.605 1.00 0.00 H new ATOM 673 N ILE A 46 6.202 -5.968 -0.907 1.00 0.00 N ATOM 674 CA ILE A 46 5.163 -4.917 -0.809 1.00 0.00 C ATOM 675 C ILE A 46 3.793 -5.583 -0.664 1.00 0.00 C ATOM 676 O ILE A 46 2.953 -5.114 0.061 1.00 0.00 O ATOM 677 CB ILE A 46 5.216 -4.050 -2.075 1.00 0.00 C ATOM 678 CG1 ILE A 46 6.001 -2.788 -1.756 1.00 0.00 C ATOM 679 CG2 ILE A 46 3.802 -3.665 -2.542 1.00 0.00 C ATOM 680 CD1 ILE A 46 7.425 -3.188 -1.382 1.00 0.00 C ATOM 0 H ILE A 46 6.637 -6.062 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 46 5.337 -4.283 0.061 1.00 0.00 H new ATOM 0 HB ILE A 46 5.695 -4.615 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.009 -2.119 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.531 -2.247 -0.935 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.870 -3.051 -3.440 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.233 -4.568 -2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.300 -3.102 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.005 -2.295 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.402 -3.843 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.887 -3.713 -2.218 1.00 0.00 H new ATOM 692 N LYS A 47 3.562 -6.673 -1.347 1.00 0.00 N ATOM 693 CA LYS A 47 2.242 -7.356 -1.227 1.00 0.00 C ATOM 694 C LYS A 47 2.116 -7.939 0.182 1.00 0.00 C ATOM 695 O LYS A 47 1.075 -8.425 0.578 1.00 0.00 O ATOM 696 CB LYS A 47 2.149 -8.480 -2.260 1.00 0.00 C ATOM 697 CG LYS A 47 2.424 -7.912 -3.653 1.00 0.00 C ATOM 698 CD LYS A 47 1.416 -8.489 -4.648 1.00 0.00 C ATOM 699 CE LYS A 47 1.856 -8.151 -6.073 1.00 0.00 C ATOM 700 NZ LYS A 47 1.195 -6.890 -6.512 1.00 0.00 N ATOM 0 H LYS A 47 4.227 -7.118 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 47 1.437 -6.643 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.869 -9.264 -2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.159 -8.936 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.351 -6.825 -3.635 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.439 -8.158 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.345 -9.570 -4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.424 -8.080 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.939 -8.039 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.594 -8.965 -6.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.494 -6.660 -7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.163 -7.013 -6.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.466 -6.115 -5.873 1.00 0.00 H new ATOM 714 N LEU A 48 3.174 -7.876 0.941 1.00 0.00 N ATOM 715 CA LEU A 48 3.146 -8.398 2.330 1.00 0.00 C ATOM 716 C LEU A 48 2.996 -7.200 3.264 1.00 0.00 C ATOM 717 O LEU A 48 2.183 -7.190 4.166 1.00 0.00 O ATOM 718 CB LEU A 48 4.465 -9.140 2.600 1.00 0.00 C ATOM 719 CG LEU A 48 4.808 -9.131 4.093 1.00 0.00 C ATOM 720 CD1 LEU A 48 5.429 -7.786 4.476 1.00 0.00 C ATOM 721 CD2 LEU A 48 3.540 -9.368 4.923 1.00 0.00 C ATOM 0 H LEU A 48 4.068 -7.479 0.651 1.00 0.00 H new ATOM 0 HA LEU A 48 2.320 -9.092 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.386 -10.169 2.248 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.271 -8.672 2.036 1.00 0.00 H new ATOM 0 HG LEU A 48 5.523 -9.928 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.671 -7.786 5.539 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.339 -7.627 3.897 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.721 -6.985 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.792 -9.360 5.983 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.817 -8.579 4.716 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.108 -10.334 4.660 1.00 0.00 H new ATOM 733 N GLY A 49 3.759 -6.176 3.016 1.00 0.00 N ATOM 734 CA GLY A 49 3.661 -4.950 3.837 1.00 0.00 C ATOM 735 C GLY A 49 2.527 -4.108 3.265 1.00 0.00 C ATOM 736 O GLY A 49 2.193 -3.060 3.782 1.00 0.00 O ATOM 0 H GLY A 49 4.453 -6.140 2.270 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.465 -5.201 4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.600 -4.396 3.814 1.00 0.00 H new ATOM 740 N LEU A 50 1.905 -4.582 2.213 1.00 0.00 N ATOM 741 CA LEU A 50 0.771 -3.828 1.638 1.00 0.00 C ATOM 742 C LEU A 50 -0.490 -4.423 2.220 1.00 0.00 C ATOM 743 O LEU A 50 -1.201 -3.788 2.963 1.00 0.00 O ATOM 744 CB LEU A 50 0.720 -3.929 0.112 1.00 0.00 C ATOM 745 CG LEU A 50 -0.651 -3.438 -0.393 1.00 0.00 C ATOM 746 CD1 LEU A 50 -1.195 -2.330 0.508 1.00 0.00 C ATOM 747 CD2 LEU A 50 -0.501 -2.870 -1.792 1.00 0.00 C ATOM 0 H LEU A 50 2.138 -5.453 1.737 1.00 0.00 H new ATOM 0 HA LEU A 50 0.881 -2.771 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.517 -3.330 -0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.886 -4.960 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.337 -4.285 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.163 -1.999 0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.310 -2.710 1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.500 -1.490 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.470 -2.523 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.199 -2.035 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.124 -3.644 -2.460 1.00 0.00 H new ATOM 759 N LYS A 51 -0.751 -5.671 1.944 1.00 0.00 N ATOM 760 CA LYS A 51 -1.944 -6.295 2.561 1.00 0.00 C ATOM 761 C LYS A 51 -1.860 -6.001 4.059 1.00 0.00 C ATOM 762 O LYS A 51 -2.842 -5.996 4.766 1.00 0.00 O ATOM 763 CB LYS A 51 -1.933 -7.807 2.324 1.00 0.00 C ATOM 764 CG LYS A 51 -3.139 -8.439 3.022 1.00 0.00 C ATOM 765 CD LYS A 51 -2.998 -9.962 3.007 1.00 0.00 C ATOM 766 CE LYS A 51 -2.033 -10.396 4.112 1.00 0.00 C ATOM 767 NZ LYS A 51 -2.775 -11.177 5.141 1.00 0.00 N ATOM 0 H LYS A 51 -0.200 -6.271 1.331 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.863 -5.899 2.129 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.965 -8.019 1.255 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.009 -8.240 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.208 -8.080 4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.060 -8.144 2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.971 -10.429 3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.629 -10.294 2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.229 -11.000 3.691 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.569 -9.522 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.119 -11.472 5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.527 -10.586 5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.198 -12.019 4.700 1.00 0.00 H new ATOM 781 N SER A 52 -0.668 -5.723 4.530 1.00 0.00 N ATOM 782 CA SER A 52 -0.477 -5.390 5.959 1.00 0.00 C ATOM 783 C SER A 52 -0.714 -3.896 6.155 1.00 0.00 C ATOM 784 O SER A 52 -1.314 -3.497 7.120 1.00 0.00 O ATOM 785 CB SER A 52 0.946 -5.750 6.390 1.00 0.00 C ATOM 786 OG SER A 52 1.034 -5.698 7.807 1.00 0.00 O ATOM 0 H SER A 52 0.185 -5.715 3.971 1.00 0.00 H new ATOM 0 HA SER A 52 -1.183 -5.957 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.205 -6.747 6.034 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.660 -5.057 5.944 1.00 0.00 H new ATOM 0 HG SER A 52 1.944 -5.930 8.087 1.00 0.00 H new ATOM 792 N LEU A 53 -0.290 -3.041 5.260 1.00 0.00 N ATOM 793 CA LEU A 53 -0.591 -1.610 5.503 1.00 0.00 C ATOM 794 C LEU A 53 -2.100 -1.440 5.344 1.00 0.00 C ATOM 795 O LEU A 53 -2.806 -1.064 6.258 1.00 0.00 O ATOM 796 CB LEU A 53 0.154 -0.736 4.496 1.00 0.00 C ATOM 797 CG LEU A 53 1.363 -0.114 5.189 1.00 0.00 C ATOM 798 CD1 LEU A 53 0.886 0.802 6.318 1.00 0.00 C ATOM 799 CD2 LEU A 53 2.238 -1.225 5.773 1.00 0.00 C ATOM 0 H LEU A 53 0.228 -3.262 4.410 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.271 -1.307 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.474 -1.332 3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.504 0.044 4.112 1.00 0.00 H new ATOM 0 HG LEU A 53 1.939 0.466 4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.748 1.247 6.814 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.257 1.591 5.905 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.312 0.221 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.103 -0.784 6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.660 -1.801 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.575 -1.882 4.971 1.00 0.00 H new ATOM 811 N VAL A 54 -2.582 -1.733 4.177 1.00 0.00 N ATOM 812 CA VAL A 54 -4.032 -1.629 3.882 1.00 0.00 C ATOM 813 C VAL A 54 -4.897 -2.428 4.880 1.00 0.00 C ATOM 814 O VAL A 54 -5.902 -1.942 5.359 1.00 0.00 O ATOM 815 CB VAL A 54 -4.246 -2.172 2.470 1.00 0.00 C ATOM 816 CG1 VAL A 54 -4.322 -3.703 2.488 1.00 0.00 C ATOM 817 CG2 VAL A 54 -5.540 -1.609 1.901 1.00 0.00 C ATOM 0 H VAL A 54 -2.015 -2.050 3.391 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.338 -0.587 3.969 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.404 -1.869 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.475 -4.072 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.392 -4.109 2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.154 -4.019 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.693 -1.996 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.376 -1.906 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.479 -0.521 1.866 1.00 0.00 H new ATOM 827 N SER A 55 -4.555 -3.661 5.152 1.00 0.00 N ATOM 828 CA SER A 55 -5.410 -4.491 6.067 1.00 0.00 C ATOM 829 C SER A 55 -5.136 -4.198 7.549 1.00 0.00 C ATOM 830 O SER A 55 -6.061 -4.092 8.329 1.00 0.00 O ATOM 831 CB SER A 55 -5.156 -5.973 5.797 1.00 0.00 C ATOM 832 OG SER A 55 -6.291 -6.725 6.208 1.00 0.00 O ATOM 0 H SER A 55 -3.727 -4.131 4.785 1.00 0.00 H new ATOM 0 HA SER A 55 -6.449 -4.233 5.863 1.00 0.00 H new ATOM 0 HB2 SER A 55 -4.963 -6.134 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.269 -6.306 6.336 1.00 0.00 H new ATOM 0 HG SER A 55 -6.133 -7.677 6.035 1.00 0.00 H new ATOM 838 N LYS A 56 -3.890 -4.099 7.948 1.00 0.00 N ATOM 839 CA LYS A 56 -3.572 -3.838 9.396 1.00 0.00 C ATOM 840 C LYS A 56 -4.631 -2.925 9.998 1.00 0.00 C ATOM 841 O LYS A 56 -4.973 -3.024 11.160 1.00 0.00 O ATOM 842 CB LYS A 56 -2.215 -3.144 9.527 1.00 0.00 C ATOM 843 CG LYS A 56 -1.100 -4.188 9.529 1.00 0.00 C ATOM 844 CD LYS A 56 -0.899 -4.717 10.950 1.00 0.00 C ATOM 845 CE LYS A 56 0.595 -4.738 11.281 1.00 0.00 C ATOM 846 NZ LYS A 56 1.050 -3.357 11.609 1.00 0.00 N ATOM 0 H LYS A 56 -3.078 -4.187 7.337 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.550 -4.794 9.919 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.071 -2.446 8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.182 -2.561 10.447 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.354 -5.008 8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.174 -3.747 9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.431 -4.087 11.663 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.316 -5.720 11.038 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.783 -5.404 12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.161 -5.127 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.065 -3.370 11.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.884 -2.734 10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.518 -3.002 12.429 1.00 0.00 H new ATOM 860 N GLY A 57 -5.151 -2.038 9.208 1.00 0.00 N ATOM 861 CA GLY A 57 -6.194 -1.109 9.719 1.00 0.00 C ATOM 862 C GLY A 57 -5.776 0.330 9.432 1.00 0.00 C ATOM 863 O GLY A 57 -6.597 1.224 9.383 1.00 0.00 O ATOM 0 H GLY A 57 -4.900 -1.913 8.227 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.151 -1.323 9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.331 -1.253 10.791 1.00 0.00 H new ATOM 867 N THR A 58 -4.510 0.567 9.222 1.00 0.00 N ATOM 868 CA THR A 58 -4.073 1.950 8.916 1.00 0.00 C ATOM 869 C THR A 58 -4.810 2.386 7.658 1.00 0.00 C ATOM 870 O THR A 58 -5.650 3.257 7.689 1.00 0.00 O ATOM 871 CB THR A 58 -2.560 1.978 8.676 1.00 0.00 C ATOM 872 OG1 THR A 58 -1.898 1.350 9.765 1.00 0.00 O ATOM 873 CG2 THR A 58 -2.086 3.427 8.556 1.00 0.00 C ATOM 0 H THR A 58 -3.768 -0.133 9.250 1.00 0.00 H new ATOM 0 HA THR A 58 -4.296 2.621 9.746 1.00 0.00 H new ATOM 0 HB THR A 58 -2.329 1.446 7.753 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.930 1.365 9.612 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.010 3.445 8.385 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.594 3.908 7.720 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.316 3.963 9.477 1.00 0.00 H new ATOM 881 N LEU A 59 -4.510 1.758 6.557 1.00 0.00 N ATOM 882 CA LEU A 59 -5.186 2.093 5.279 1.00 0.00 C ATOM 883 C LEU A 59 -6.262 1.040 4.987 1.00 0.00 C ATOM 884 O LEU A 59 -6.172 0.290 4.037 1.00 0.00 O ATOM 885 CB LEU A 59 -4.133 2.081 4.179 1.00 0.00 C ATOM 886 CG LEU A 59 -4.733 2.594 2.877 1.00 0.00 C ATOM 887 CD1 LEU A 59 -4.930 4.107 2.969 1.00 0.00 C ATOM 888 CD2 LEU A 59 -3.783 2.276 1.724 1.00 0.00 C ATOM 0 H LEU A 59 -3.814 1.016 6.490 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.660 3.073 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.286 2.703 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.752 1.069 4.040 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.695 2.112 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.359 4.475 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.603 4.337 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.968 4.589 3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.209 2.642 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.823 2.761 1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.638 1.198 1.659 1.00 0.00 H new ATOM 900 N VAL A 60 -7.272 0.970 5.808 1.00 0.00 N ATOM 901 CA VAL A 60 -8.343 -0.048 5.597 1.00 0.00 C ATOM 902 C VAL A 60 -9.096 0.209 4.290 1.00 0.00 C ATOM 903 O VAL A 60 -9.695 1.247 4.090 1.00 0.00 O ATOM 904 CB VAL A 60 -9.332 -0.002 6.759 1.00 0.00 C ATOM 905 CG1 VAL A 60 -10.079 -1.335 6.846 1.00 0.00 C ATOM 906 CG2 VAL A 60 -8.573 0.241 8.064 1.00 0.00 C ATOM 0 H VAL A 60 -7.404 1.575 6.619 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.872 -1.029 5.543 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.046 0.806 6.597 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.785 -1.303 7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.619 -1.511 5.916 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -9.365 -2.142 7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.278 0.274 8.894 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.860 -0.567 8.226 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.039 1.189 8.003 1.00 0.00 H new ATOM 916 N GLN A 61 -9.076 -0.751 3.412 1.00 0.00 N ATOM 917 CA GLN A 61 -9.794 -0.616 2.110 1.00 0.00 C ATOM 918 C GLN A 61 -11.022 -1.534 2.118 1.00 0.00 C ATOM 919 O GLN A 61 -11.678 -1.689 3.128 1.00 0.00 O ATOM 920 CB GLN A 61 -8.843 -1.007 0.971 1.00 0.00 C ATOM 921 CG GLN A 61 -8.534 -2.505 1.036 1.00 0.00 C ATOM 922 CD GLN A 61 -8.192 -3.004 -0.369 1.00 0.00 C ATOM 923 OE1 GLN A 61 -8.943 -2.788 -1.298 1.00 0.00 O ATOM 924 NE2 GLN A 61 -7.078 -3.653 -0.570 1.00 0.00 N ATOM 0 H GLN A 61 -8.587 -1.637 3.540 1.00 0.00 H new ATOM 0 HA GLN A 61 -10.121 0.413 1.963 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.294 -0.762 0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.919 -0.433 1.045 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.700 -2.688 1.714 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -9.392 -3.050 1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.446 -3.835 0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -6.839 -3.978 -1.507 1.00 0.00 H new ATOM 933 N THR A 62 -11.344 -2.142 1.008 1.00 0.00 N ATOM 934 CA THR A 62 -12.534 -3.040 0.979 1.00 0.00 C ATOM 935 C THR A 62 -12.437 -4.001 -0.207 1.00 0.00 C ATOM 936 O THR A 62 -13.046 -3.793 -1.237 1.00 0.00 O ATOM 937 CB THR A 62 -13.805 -2.198 0.846 1.00 0.00 C ATOM 938 OG1 THR A 62 -13.665 -1.301 -0.247 1.00 0.00 O ATOM 939 CG2 THR A 62 -14.032 -1.405 2.134 1.00 0.00 C ATOM 0 H THR A 62 -10.839 -2.057 0.126 1.00 0.00 H new ATOM 0 HA THR A 62 -12.568 -3.615 1.904 1.00 0.00 H new ATOM 0 HB THR A 62 -14.658 -2.853 0.671 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.405 -1.801 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 62 -14.937 -0.806 2.038 1.00 0.00 H new ATOM 0 HG22 THR A 62 -14.140 -2.094 2.971 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.180 -0.749 2.312 1.00 0.00 H new ATOM 1018 N GLY A 69 -10.506 -3.824 -3.956 1.00 0.00 N ATOM 1019 CA GLY A 69 -11.159 -2.982 -2.911 1.00 0.00 C ATOM 1020 C GLY A 69 -10.727 -1.528 -3.105 1.00 0.00 C ATOM 1021 O GLY A 69 -10.163 -1.175 -4.122 1.00 0.00 O ATOM 0 HA2 GLY A 69 -12.243 -3.066 -2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.878 -3.329 -1.917 1.00 0.00 H new ATOM 1025 N SER A 70 -10.986 -0.675 -2.151 1.00 0.00 N ATOM 1026 CA SER A 70 -10.583 0.750 -2.317 1.00 0.00 C ATOM 1027 C SER A 70 -10.054 1.319 -0.997 1.00 0.00 C ATOM 1028 O SER A 70 -10.795 1.871 -0.208 1.00 0.00 O ATOM 1029 CB SER A 70 -11.793 1.568 -2.770 1.00 0.00 C ATOM 1030 OG SER A 70 -12.982 0.838 -2.500 1.00 0.00 O ATOM 0 H SER A 70 -11.454 -0.900 -1.273 1.00 0.00 H new ATOM 0 HA SER A 70 -9.792 0.805 -3.065 1.00 0.00 H new ATOM 0 HB2 SER A 70 -11.814 2.525 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.721 1.786 -3.836 1.00 0.00 H new ATOM 0 HG SER A 70 -13.759 1.361 -2.788 1.00 0.00 H new ATOM 1036 N PHE A 71 -8.774 1.206 -0.756 1.00 0.00 N ATOM 1037 CA PHE A 71 -8.208 1.766 0.513 1.00 0.00 C ATOM 1038 C PHE A 71 -8.436 3.276 0.519 1.00 0.00 C ATOM 1039 O PHE A 71 -7.782 4.018 -0.187 1.00 0.00 O ATOM 1040 CB PHE A 71 -6.692 1.478 0.653 1.00 0.00 C ATOM 1041 CG PHE A 71 -6.170 0.770 -0.568 1.00 0.00 C ATOM 1042 CD1 PHE A 71 -6.344 -0.613 -0.710 1.00 0.00 C ATOM 1043 CD2 PHE A 71 -5.536 1.497 -1.573 1.00 0.00 C ATOM 1044 CE1 PHE A 71 -5.893 -1.260 -1.847 1.00 0.00 C ATOM 1045 CE2 PHE A 71 -5.075 0.841 -2.712 1.00 0.00 C ATOM 1046 CZ PHE A 71 -5.261 -0.539 -2.843 1.00 0.00 C ATOM 0 H PHE A 71 -8.100 0.755 -1.374 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.712 1.287 1.353 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.151 2.413 0.796 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.513 0.867 1.538 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -6.832 -1.177 0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -5.403 2.564 -1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.034 -2.325 -1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.575 1.396 -3.492 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.908 -1.045 -3.729 1.00 0.00 H new ATOM 1056 N ARG A 72 -9.345 3.738 1.331 1.00 0.00 N ATOM 1057 CA ARG A 72 -9.601 5.201 1.409 1.00 0.00 C ATOM 1058 C ARG A 72 -8.757 5.728 2.554 1.00 0.00 C ATOM 1059 O ARG A 72 -8.321 6.861 2.553 1.00 0.00 O ATOM 1060 CB ARG A 72 -11.085 5.474 1.681 1.00 0.00 C ATOM 1061 CG ARG A 72 -11.659 4.378 2.581 1.00 0.00 C ATOM 1062 CD ARG A 72 -12.217 3.248 1.713 1.00 0.00 C ATOM 1063 NE ARG A 72 -13.565 2.857 2.213 1.00 0.00 N ATOM 1064 CZ ARG A 72 -14.603 2.948 1.427 1.00 0.00 C ATOM 1065 NH1 ARG A 72 -14.857 1.999 0.568 1.00 0.00 N ATOM 1066 NH2 ARG A 72 -15.387 3.989 1.500 1.00 0.00 N ATOM 0 H ARG A 72 -9.922 3.163 1.945 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.345 5.690 0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -11.203 6.447 2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -11.635 5.510 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.884 3.993 3.244 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.446 4.787 3.215 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.282 3.571 0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.545 2.390 1.738 1.00 0.00 H new ATOM 0 HE ARG A 72 -13.677 2.519 3.169 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -14.244 1.186 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -15.668 2.071 -0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -15.188 4.731 2.171 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -16.198 4.061 0.886 1.00 0.00 H new ATOM 1080 N LEU A 73 -8.520 4.863 3.510 1.00 0.00 N ATOM 1081 CA LEU A 73 -7.683 5.183 4.699 1.00 0.00 C ATOM 1082 C LEU A 73 -8.542 5.185 5.955 1.00 0.00 C ATOM 1083 O LEU A 73 -9.324 6.084 6.197 1.00 0.00 O ATOM 1084 CB LEU A 73 -6.958 6.529 4.556 1.00 0.00 C ATOM 1085 CG LEU A 73 -5.852 6.674 5.625 1.00 0.00 C ATOM 1086 CD1 LEU A 73 -5.437 5.313 6.186 1.00 0.00 C ATOM 1087 CD2 LEU A 73 -4.625 7.320 4.992 1.00 0.00 C ATOM 0 H LEU A 73 -8.889 3.912 3.510 1.00 0.00 H new ATOM 0 HA LEU A 73 -6.919 4.409 4.776 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.520 6.607 3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.674 7.345 4.654 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.247 7.287 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.658 5.451 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.300 4.830 6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.057 4.687 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.841 7.425 5.742 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -4.265 6.694 4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.891 8.304 4.605 1.00 0.00 H new ATOM 1099 N SER A 74 -8.388 4.174 6.759 1.00 0.00 N ATOM 1100 CA SER A 74 -9.170 4.079 8.014 1.00 0.00 C ATOM 1101 C SER A 74 -10.655 4.293 7.715 1.00 0.00 C ATOM 1102 O SER A 74 -11.380 3.362 7.429 1.00 0.00 O ATOM 1103 CB SER A 74 -8.688 5.143 8.999 1.00 0.00 C ATOM 1104 OG SER A 74 -8.053 6.194 8.282 1.00 0.00 O ATOM 0 H SER A 74 -7.744 3.400 6.596 1.00 0.00 H new ATOM 0 HA SER A 74 -9.030 3.090 8.451 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.530 5.534 9.570 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.993 4.704 9.715 1.00 0.00 H new ATOM 0 HG SER A 74 -8.713 6.652 7.721 1.00 0.00 H new ATOM 1110 N LYS A 75 -11.109 5.517 7.784 1.00 0.00 N ATOM 1111 CA LYS A 75 -12.546 5.809 7.510 1.00 0.00 C ATOM 1112 C LYS A 75 -13.376 5.504 8.765 1.00 0.00 C ATOM 1113 O LYS A 75 -14.358 6.194 8.984 1.00 0.00 O ATOM 1114 CB LYS A 75 -13.027 4.969 6.307 1.00 0.00 C ATOM 1115 CG LYS A 75 -13.839 3.748 6.768 1.00 0.00 C ATOM 1116 CD LYS A 75 -15.301 4.153 6.963 1.00 0.00 C ATOM 1117 CE LYS A 75 -16.105 3.790 5.713 1.00 0.00 C ATOM 1118 NZ LYS A 75 -17.027 4.910 5.373 1.00 0.00 N ATOM 1119 OXT LYS A 75 -13.012 4.586 9.482 1.00 0.00 O ATOM 0 H LYS A 75 -10.542 6.331 8.020 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.671 6.863 7.261 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.638 5.588 5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.167 4.638 5.725 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.767 2.950 6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.431 3.357 7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.716 3.647 7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.370 5.224 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.432 3.593 4.879 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.674 2.876 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.574 4.664 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.678 5.077 6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.474 5.772 5.191 1.00 0.00 H new