USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 750 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 48 LYS NZ :NH3+ -172:sc= 1.12 (180deg=-0.259) USER MOD Set 1.2: A 50 SER OG : rot -98:sc= 0.879 USER MOD Set 2.1: A 30 GLN : amide:sc= -0.307! C(o=1!,f=-4.3!) USER MOD Set 2.2: A 42 LYS NZ :NH3+ -149:sc= 1.33 (180deg=1.03) USER MOD Single : A 0 SER N :NH3+ 160:sc= -1.2 (180deg=-1.62!) USER MOD Single : A 0 SER OG : rot 117:sc= 1.11 USER MOD Single : A 9 LYS NZ :NH3+ 164:sc= -1.04! (180deg=-2.41!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 1.29 (180deg=0.994) USER MOD Single : A 19 ASN : amide:sc= -0.629 K(o=-0.63,f=-5.7!) USER MOD Single : A 23 LYS NZ :NH3+ -138:sc= -0.0952 (180deg=-0.534) USER MOD Single : A 28 LYS NZ :NH3+ 169:sc= 1.17 (180deg=0.87) USER MOD Single : A 34 LYS NZ :NH3+ 152:sc= 1.2 (180deg=1.04) USER MOD Single : A 36 LYS NZ :NH3+ 155:sc= 1.23 (180deg=1.14) USER MOD Single : A 37 TYR OH : rot -154:sc= 0.0191 USER MOD Single : A 41 THR OG1 : rot 120:sc= -0.324 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot -150:sc= -0.188 USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -0.0176 (180deg=-0.224) USER MOD Single : A 56 TYR OH : rot -125:sc= 0.986 USER MOD Single : A 57 TYR OH : rot 59:sc= 1.04 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 141:sc= 1.79 (180deg=1.28) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0884) USER MOD Single : A 81 MET CE :methyl 142:sc= -1.22 (180deg=-4.62!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 0 13.093 4.014 2.888 1.00 0.00 N ATOM 11 CA SER A 0 11.675 3.755 3.143 1.00 0.00 C ATOM 12 C SER A 0 11.472 3.128 4.523 1.00 0.00 C ATOM 13 O SER A 0 12.418 2.626 5.130 1.00 0.00 O ATOM 14 CB SER A 0 11.102 2.858 2.042 1.00 0.00 C ATOM 15 OG SER A 0 9.703 2.702 2.173 1.00 0.00 O ATOM 0 H1 SER A 0 13.249 4.112 1.864 1.00 0.00 H new ATOM 0 H2 SER A 0 13.377 4.892 3.367 1.00 0.00 H new ATOM 0 H3 SER A 0 13.661 3.222 3.251 1.00 0.00 H new ATOM 0 HA SER A 0 11.140 4.704 3.132 1.00 0.00 H new ATOM 0 HB2 SER A 0 11.331 3.287 1.067 1.00 0.00 H new ATOM 0 HB3 SER A 0 11.583 1.881 2.081 1.00 0.00 H new ATOM 0 HG SER A 0 9.257 3.081 1.387 1.00 0.00 H new ATOM 21 N LEU A 1 10.232 3.134 5.009 1.00 0.00 N ATOM 22 CA LEU A 1 9.964 2.788 6.400 1.00 0.00 C ATOM 23 C LEU A 1 9.863 1.280 6.616 1.00 0.00 C ATOM 24 O LEU A 1 8.823 0.744 6.997 1.00 0.00 O ATOM 25 CB LEU A 1 8.707 3.492 6.912 1.00 0.00 C ATOM 26 CG LEU A 1 8.714 5.017 6.775 1.00 0.00 C ATOM 27 CD1 LEU A 1 7.415 5.604 7.299 1.00 0.00 C ATOM 28 CD2 LEU A 1 9.903 5.617 7.509 1.00 0.00 C ATOM 0 H LEU A 1 9.404 3.373 4.463 1.00 0.00 H new ATOM 0 HA LEU A 1 10.818 3.140 6.979 1.00 0.00 H new ATOM 0 HB2 LEU A 1 7.845 3.099 6.374 1.00 0.00 H new ATOM 0 HB3 LEU A 1 8.570 3.238 7.963 1.00 0.00 H new ATOM 0 HG LEU A 1 8.804 5.265 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.437 6.689 7.194 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.578 5.201 6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 1 7.296 5.344 8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 1 9.889 6.701 7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.846 5.359 8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.828 5.222 7.088 1.00 0.00 H new ATOM 40 N ILE A 2 10.964 0.628 6.332 1.00 0.00 N ATOM 41 CA ILE A 2 11.201 -0.769 6.646 1.00 0.00 C ATOM 42 C ILE A 2 12.712 -0.927 6.584 1.00 0.00 C ATOM 43 O ILE A 2 13.279 -1.988 6.309 1.00 0.00 O ATOM 44 CB ILE A 2 10.483 -1.724 5.656 1.00 0.00 C ATOM 45 CG1 ILE A 2 10.652 -3.183 6.100 1.00 0.00 C ATOM 46 CG2 ILE A 2 10.993 -1.520 4.233 1.00 0.00 C ATOM 47 CD1 ILE A 2 9.899 -4.175 5.245 1.00 0.00 C ATOM 0 H ILE A 2 11.752 1.068 5.858 1.00 0.00 H new ATOM 0 HA ILE A 2 10.799 -1.035 7.624 1.00 0.00 H new ATOM 0 HB ILE A 2 9.419 -1.487 5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 2 11.712 -3.436 6.085 1.00 0.00 H new ATOM 0 HG13 ILE A 2 10.316 -3.279 7.132 1.00 0.00 H new ATOM 0 HG21 ILE A 2 10.474 -2.201 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 2 10.807 -0.492 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 2 12.064 -1.721 4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 2 10.069 -5.183 5.622 1.00 0.00 H new ATOM 0 HD12 ILE A 2 8.833 -3.949 5.279 1.00 0.00 H new ATOM 0 HD13 ILE A 2 10.251 -4.109 4.216 1.00 0.00 H new ATOM 59 N LEU A 3 13.344 0.195 6.892 1.00 0.00 N ATOM 60 CA LEU A 3 14.733 0.427 6.585 1.00 0.00 C ATOM 61 C LEU A 3 15.683 -0.375 7.448 1.00 0.00 C ATOM 62 O LEU A 3 15.509 -0.510 8.659 1.00 0.00 O ATOM 63 CB LEU A 3 15.069 1.947 6.628 1.00 0.00 C ATOM 64 CG LEU A 3 14.945 2.721 7.968 1.00 0.00 C ATOM 65 CD1 LEU A 3 13.614 2.473 8.669 1.00 0.00 C ATOM 66 CD2 LEU A 3 16.116 2.429 8.895 1.00 0.00 C ATOM 0 H LEU A 3 12.894 0.976 7.369 1.00 0.00 H new ATOM 0 HA LEU A 3 14.884 0.069 5.567 1.00 0.00 H new ATOM 0 HB2 LEU A 3 16.094 2.065 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 3 14.425 2.444 5.903 1.00 0.00 H new ATOM 0 HG LEU A 3 14.974 3.780 7.713 1.00 0.00 H new ATOM 0 HD11 LEU A 3 13.582 3.039 9.600 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.797 2.793 8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.510 1.410 8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 3 15.994 2.988 9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 3 16.148 1.362 9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 3 17.046 2.727 8.411 1.00 0.00 H new ATOM 78 N ASP A 4 16.667 -0.940 6.781 1.00 0.00 N ATOM 79 CA ASP A 4 17.837 -1.480 7.438 1.00 0.00 C ATOM 80 C ASP A 4 18.951 -0.461 7.273 1.00 0.00 C ATOM 81 O ASP A 4 19.940 -0.445 8.009 1.00 0.00 O ATOM 82 CB ASP A 4 18.233 -2.817 6.809 1.00 0.00 C ATOM 83 CG ASP A 4 19.390 -3.482 7.518 1.00 0.00 C ATOM 84 OD1 ASP A 4 20.554 -3.205 7.170 1.00 0.00 O ATOM 85 OD2 ASP A 4 19.141 -4.306 8.422 1.00 0.00 O ATOM 0 H ASP A 4 16.678 -1.038 5.766 1.00 0.00 H new ATOM 0 HA ASP A 4 17.638 -1.665 8.494 1.00 0.00 H new ATOM 0 HB2 ASP A 4 17.373 -3.487 6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 4 18.498 -2.657 5.764 1.00 0.00 H new ATOM 90 N GLY A 5 18.737 0.417 6.298 1.00 0.00 N ATOM 91 CA GLY A 5 19.692 1.449 5.970 1.00 0.00 C ATOM 92 C GLY A 5 19.894 1.536 4.475 1.00 0.00 C ATOM 93 O GLY A 5 21.022 1.443 3.995 1.00 0.00 O ATOM 0 H GLY A 5 17.897 0.426 5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 5 19.343 2.409 6.351 1.00 0.00 H new ATOM 0 HA3 GLY A 5 20.643 1.239 6.459 1.00 0.00 H new ATOM 97 N ASP A 6 18.783 1.695 3.740 1.00 0.00 N ATOM 98 CA ASP A 6 18.790 1.678 2.277 1.00 0.00 C ATOM 99 C ASP A 6 19.105 0.273 1.793 1.00 0.00 C ATOM 100 O ASP A 6 19.518 0.069 0.654 1.00 0.00 O ATOM 101 CB ASP A 6 19.797 2.682 1.698 1.00 0.00 C ATOM 102 CG ASP A 6 19.418 4.130 1.944 1.00 0.00 C ATOM 103 OD1 ASP A 6 19.922 5.004 1.213 1.00 0.00 O ATOM 104 OD2 ASP A 6 18.628 4.408 2.872 1.00 0.00 O ATOM 0 H ASP A 6 17.858 1.838 4.146 1.00 0.00 H new ATOM 0 HA ASP A 6 17.802 1.977 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 6 20.778 2.493 2.134 1.00 0.00 H new ATOM 0 HB3 ASP A 6 19.887 2.516 0.625 1.00 0.00 H new ATOM 109 N LEU A 7 18.857 -0.693 2.666 1.00 0.00 N ATOM 110 CA LEU A 7 19.231 -2.077 2.432 1.00 0.00 C ATOM 111 C LEU A 7 18.164 -3.004 2.984 1.00 0.00 C ATOM 112 O LEU A 7 17.371 -2.612 3.840 1.00 0.00 O ATOM 113 CB LEU A 7 20.568 -2.384 3.110 1.00 0.00 C ATOM 114 CG LEU A 7 21.779 -1.658 2.527 1.00 0.00 C ATOM 115 CD1 LEU A 7 22.957 -1.750 3.478 1.00 0.00 C ATOM 116 CD2 LEU A 7 22.147 -2.246 1.175 1.00 0.00 C ATOM 0 H LEU A 7 18.389 -0.537 3.559 1.00 0.00 H new ATOM 0 HA LEU A 7 19.327 -2.234 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.487 -2.130 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.747 -3.458 3.053 1.00 0.00 H new ATOM 0 HG LEU A 7 21.522 -0.607 2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 7 23.812 -1.228 3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 7 22.692 -1.291 4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 7 23.214 -2.797 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 7 23.012 -1.719 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 7 22.388 -3.303 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 7 21.305 -2.139 0.491 1.00 0.00 H new ATOM 128 N LEU A 8 18.147 -4.232 2.498 1.00 0.00 N ATOM 129 CA LEU A 8 17.188 -5.212 2.968 1.00 0.00 C ATOM 130 C LEU A 8 17.896 -6.375 3.637 1.00 0.00 C ATOM 131 O LEU A 8 17.785 -6.565 4.850 1.00 0.00 O ATOM 132 CB LEU A 8 16.314 -5.743 1.817 1.00 0.00 C ATOM 133 CG LEU A 8 15.325 -4.745 1.203 1.00 0.00 C ATOM 134 CD1 LEU A 8 14.529 -4.047 2.294 1.00 0.00 C ATOM 135 CD2 LEU A 8 16.036 -3.727 0.329 1.00 0.00 C ATOM 0 H LEU A 8 18.786 -4.573 1.779 1.00 0.00 H new ATOM 0 HA LEU A 8 16.544 -4.712 3.692 1.00 0.00 H new ATOM 0 HB2 LEU A 8 16.971 -6.105 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.752 -6.602 2.182 1.00 0.00 H new ATOM 0 HG LEU A 8 14.636 -5.304 0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.832 -3.342 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.974 -4.788 2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.210 -3.510 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.306 -3.035 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.758 -3.173 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 8 16.555 -4.241 -0.480 1.00 0.00 H new ATOM 147 N LYS A 9 18.648 -7.133 2.834 1.00 0.00 N ATOM 148 CA LYS A 9 19.209 -8.416 3.262 1.00 0.00 C ATOM 149 C LYS A 9 18.070 -9.397 3.501 1.00 0.00 C ATOM 150 O LYS A 9 18.230 -10.434 4.144 1.00 0.00 O ATOM 151 CB LYS A 9 20.066 -8.255 4.521 1.00 0.00 C ATOM 152 CG LYS A 9 21.232 -7.299 4.336 1.00 0.00 C ATOM 153 CD LYS A 9 22.008 -7.089 5.629 1.00 0.00 C ATOM 154 CE LYS A 9 21.327 -6.092 6.558 1.00 0.00 C ATOM 155 NZ LYS A 9 20.042 -6.592 7.120 1.00 0.00 N ATOM 0 H LYS A 9 18.883 -6.876 1.875 1.00 0.00 H new ATOM 0 HA LYS A 9 19.862 -8.800 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.438 -7.897 5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 9 20.449 -9.231 4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 9 21.902 -7.689 3.570 1.00 0.00 H new ATOM 0 HG3 LYS A 9 20.861 -6.339 3.976 1.00 0.00 H new ATOM 0 HD2 LYS A 9 22.118 -8.044 6.143 1.00 0.00 H new ATOM 0 HD3 LYS A 9 23.012 -6.736 5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 9 22.004 -5.849 7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 9 21.141 -5.167 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.767 -6.006 7.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 19.302 -6.542 6.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.158 -7.579 7.428 1.00 0.00 H new ATOM 169 N ASP A 10 16.918 -9.042 2.955 1.00 0.00 N ATOM 170 CA ASP A 10 15.709 -9.833 3.062 1.00 0.00 C ATOM 171 C ASP A 10 14.851 -9.552 1.837 1.00 0.00 C ATOM 172 O ASP A 10 13.823 -8.869 1.912 1.00 0.00 O ATOM 173 CB ASP A 10 14.951 -9.485 4.347 1.00 0.00 C ATOM 174 CG ASP A 10 13.921 -10.528 4.730 1.00 0.00 C ATOM 175 OD1 ASP A 10 13.276 -10.364 5.788 1.00 0.00 O ATOM 176 OD2 ASP A 10 13.775 -11.533 4.000 1.00 0.00 O ATOM 0 H ASP A 10 16.798 -8.183 2.418 1.00 0.00 H new ATOM 0 HA ASP A 10 15.957 -10.893 3.106 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.664 -9.371 5.163 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.455 -8.523 4.220 1.00 0.00 H new ATOM 181 N LYS A 11 15.340 -10.028 0.698 1.00 0.00 N ATOM 182 CA LYS A 11 14.720 -9.793 -0.602 1.00 0.00 C ATOM 183 C LYS A 11 13.221 -10.089 -0.594 1.00 0.00 C ATOM 184 O LYS A 11 12.418 -9.251 -0.992 1.00 0.00 O ATOM 185 CB LYS A 11 15.407 -10.659 -1.669 1.00 0.00 C ATOM 186 CG LYS A 11 15.362 -12.145 -1.350 1.00 0.00 C ATOM 187 CD LYS A 11 15.753 -13.009 -2.530 1.00 0.00 C ATOM 188 CE LYS A 11 15.213 -14.417 -2.344 1.00 0.00 C ATOM 189 NZ LYS A 11 15.520 -15.304 -3.495 1.00 0.00 N ATOM 0 H LYS A 11 16.187 -10.594 0.650 1.00 0.00 H new ATOM 0 HA LYS A 11 14.846 -8.735 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.928 -10.486 -2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 11 16.446 -10.346 -1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 11 16.031 -12.353 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.356 -12.413 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.361 -12.579 -3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 11 16.838 -13.037 -2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.636 -14.847 -1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.133 -14.372 -2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.130 -16.251 -3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 15.095 -14.911 -4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.551 -15.371 -3.616 1.00 0.00 H new ATOM 203 N LEU A 12 12.856 -11.261 -0.099 1.00 0.00 N ATOM 204 CA LEU A 12 11.504 -11.778 -0.233 1.00 0.00 C ATOM 205 C LEU A 12 11.203 -12.724 0.915 1.00 0.00 C ATOM 206 O LEU A 12 11.886 -13.734 1.087 1.00 0.00 O ATOM 207 CB LEU A 12 11.363 -12.513 -1.573 1.00 0.00 C ATOM 208 CG LEU A 12 10.047 -13.271 -1.781 1.00 0.00 C ATOM 209 CD1 LEU A 12 8.863 -12.321 -1.741 1.00 0.00 C ATOM 210 CD2 LEU A 12 10.074 -14.023 -3.100 1.00 0.00 C ATOM 0 H LEU A 12 13.489 -11.880 0.407 1.00 0.00 H new ATOM 0 HA LEU A 12 10.795 -10.951 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 12 11.473 -11.787 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.187 -13.220 -1.667 1.00 0.00 H new ATOM 0 HG LEU A 12 9.936 -13.989 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.941 -12.882 -1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.830 -11.821 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.967 -11.577 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.133 -14.556 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.210 -13.317 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.898 -14.736 -3.095 1.00 0.00 H new ATOM 222 N LYS A 13 10.203 -12.391 1.708 1.00 0.00 N ATOM 223 CA LYS A 13 9.882 -13.179 2.878 1.00 0.00 C ATOM 224 C LYS A 13 8.964 -14.337 2.530 1.00 0.00 C ATOM 225 O LYS A 13 9.406 -15.479 2.397 1.00 0.00 O ATOM 226 CB LYS A 13 9.265 -12.291 3.961 1.00 0.00 C ATOM 227 CG LYS A 13 9.591 -12.745 5.374 1.00 0.00 C ATOM 228 CD LYS A 13 11.072 -13.060 5.512 1.00 0.00 C ATOM 229 CE LYS A 13 11.532 -13.005 6.955 1.00 0.00 C ATOM 230 NZ LYS A 13 11.609 -11.607 7.456 1.00 0.00 N ATOM 0 H LYS A 13 9.601 -11.581 1.562 1.00 0.00 H new ATOM 0 HA LYS A 13 10.807 -13.605 3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.617 -11.268 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.183 -12.275 3.834 1.00 0.00 H new ATOM 0 HG2 LYS A 13 9.313 -11.966 6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.002 -13.628 5.622 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.271 -14.052 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.650 -12.351 4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.845 -13.577 7.578 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.510 -13.477 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 12.114 -11.591 8.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.119 -11.019 6.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.648 -11.232 7.588 1.00 0.00 H new ATOM 244 N LEU A 14 7.706 -14.028 2.352 1.00 0.00 N ATOM 245 CA LEU A 14 6.678 -15.044 2.140 1.00 0.00 C ATOM 246 C LEU A 14 5.727 -14.617 1.021 1.00 0.00 C ATOM 247 O LEU A 14 5.881 -13.537 0.451 1.00 0.00 O ATOM 248 CB LEU A 14 5.887 -15.259 3.439 1.00 0.00 C ATOM 249 CG LEU A 14 6.722 -15.478 4.700 1.00 0.00 C ATOM 250 CD1 LEU A 14 5.855 -15.354 5.942 1.00 0.00 C ATOM 251 CD2 LEU A 14 7.396 -16.834 4.652 1.00 0.00 C ATOM 0 H LEU A 14 7.354 -13.071 2.348 1.00 0.00 H new ATOM 0 HA LEU A 14 7.162 -15.977 1.850 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.244 -14.393 3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.233 -16.121 3.305 1.00 0.00 H new ATOM 0 HG LEU A 14 7.493 -14.709 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.467 -15.513 6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 14 5.413 -14.358 5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.063 -16.102 5.909 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.988 -16.978 5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.638 -17.615 4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.047 -16.886 3.780 1.00 0.00 H new ATOM 263 N PRO A 15 4.766 -15.492 0.668 1.00 0.00 N ATOM 264 CA PRO A 15 3.637 -15.156 -0.216 1.00 0.00 C ATOM 265 C PRO A 15 2.750 -14.076 0.392 1.00 0.00 C ATOM 266 O PRO A 15 3.229 -13.181 1.088 1.00 0.00 O ATOM 267 CB PRO A 15 2.865 -16.480 -0.320 1.00 0.00 C ATOM 268 CG PRO A 15 3.853 -17.524 0.039 1.00 0.00 C ATOM 269 CD PRO A 15 4.728 -16.902 1.077 1.00 0.00 C ATOM 0 HA PRO A 15 3.965 -14.762 -1.178 1.00 0.00 H new ATOM 0 HB2 PRO A 15 2.011 -16.494 0.357 1.00 0.00 H new ATOM 0 HB3 PRO A 15 2.476 -16.633 -1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.359 -18.416 0.425 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.433 -17.832 -0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.315 -17.022 2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.723 -17.347 1.087 1.00 0.00 H new ATOM 277 N VAL A 16 1.459 -14.139 0.104 1.00 0.00 N ATOM 278 CA VAL A 16 0.517 -13.227 0.735 1.00 0.00 C ATOM 279 C VAL A 16 0.642 -13.314 2.256 1.00 0.00 C ATOM 280 O VAL A 16 0.521 -14.382 2.858 1.00 0.00 O ATOM 281 CB VAL A 16 -0.950 -13.451 0.299 1.00 0.00 C ATOM 282 CG1 VAL A 16 -1.413 -14.866 0.605 1.00 0.00 C ATOM 283 CG2 VAL A 16 -1.857 -12.414 0.960 1.00 0.00 C ATOM 0 H VAL A 16 1.044 -14.801 -0.552 1.00 0.00 H new ATOM 0 HA VAL A 16 0.782 -12.225 0.397 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.009 -13.324 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.448 -14.987 0.285 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.783 -15.578 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.341 -15.049 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.888 -12.580 0.647 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.787 -12.508 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.544 -11.414 0.662 1.00 0.00 H new ATOM 293 N ILE A 17 0.918 -12.175 2.852 1.00 0.00 N ATOM 294 CA ILE A 17 1.246 -12.092 4.261 1.00 0.00 C ATOM 295 C ILE A 17 0.122 -11.465 5.068 1.00 0.00 C ATOM 296 O ILE A 17 -0.963 -11.203 4.544 1.00 0.00 O ATOM 297 CB ILE A 17 2.530 -11.271 4.473 1.00 0.00 C ATOM 298 CG1 ILE A 17 2.702 -10.261 3.342 1.00 0.00 C ATOM 299 CG2 ILE A 17 3.744 -12.178 4.570 1.00 0.00 C ATOM 300 CD1 ILE A 17 3.866 -9.320 3.541 1.00 0.00 C ATOM 0 H ILE A 17 0.922 -11.275 2.372 1.00 0.00 H new ATOM 0 HA ILE A 17 1.397 -13.114 4.610 1.00 0.00 H new ATOM 0 HB ILE A 17 2.440 -10.729 5.415 1.00 0.00 H new ATOM 0 HG12 ILE A 17 2.837 -10.799 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.787 -9.677 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.639 -11.574 4.720 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.622 -12.860 5.411 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.844 -12.752 3.649 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.926 -8.632 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.723 -8.755 4.462 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.790 -9.894 3.607 1.00 0.00 H new ATOM 312 N ASP A 18 0.406 -11.228 6.344 1.00 0.00 N ATOM 313 CA ASP A 18 -0.546 -10.625 7.268 1.00 0.00 C ATOM 314 C ASP A 18 -1.096 -9.323 6.702 1.00 0.00 C ATOM 315 O ASP A 18 -0.340 -8.484 6.201 1.00 0.00 O ATOM 316 CB ASP A 18 0.132 -10.332 8.614 1.00 0.00 C ATOM 317 CG ASP A 18 0.901 -11.514 9.169 1.00 0.00 C ATOM 318 OD1 ASP A 18 0.413 -12.159 10.122 1.00 0.00 O ATOM 319 OD2 ASP A 18 2.006 -11.799 8.661 1.00 0.00 O ATOM 0 H ASP A 18 1.307 -11.450 6.768 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.364 -11.330 7.412 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.812 -9.489 8.494 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.626 -10.029 9.336 1.00 0.00 H new ATOM 324 N ASN A 19 -2.407 -9.148 6.786 1.00 0.00 N ATOM 325 CA ASN A 19 -3.026 -7.906 6.347 1.00 0.00 C ATOM 326 C ASN A 19 -2.716 -6.800 7.341 1.00 0.00 C ATOM 327 O ASN A 19 -2.766 -5.625 7.006 1.00 0.00 O ATOM 328 CB ASN A 19 -4.546 -8.066 6.139 1.00 0.00 C ATOM 329 CG ASN A 19 -5.316 -8.504 7.378 1.00 0.00 C ATOM 330 OD1 ASN A 19 -4.990 -8.141 8.508 1.00 0.00 O ATOM 331 ND2 ASN A 19 -6.350 -9.301 7.169 1.00 0.00 N ATOM 0 H ASN A 19 -3.058 -9.844 7.151 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.606 -7.636 5.378 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.953 -7.116 5.792 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.716 -8.795 5.346 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.905 -9.634 7.957 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.593 -9.583 6.219 1.00 0.00 H new ATOM 338 N LEU A 20 -2.367 -7.198 8.561 1.00 0.00 N ATOM 339 CA LEU A 20 -1.943 -6.277 9.594 1.00 0.00 C ATOM 340 C LEU A 20 -0.521 -5.803 9.323 1.00 0.00 C ATOM 341 O LEU A 20 -0.205 -4.630 9.505 1.00 0.00 O ATOM 342 CB LEU A 20 -2.027 -6.962 10.958 1.00 0.00 C ATOM 343 CG LEU A 20 -1.370 -6.206 12.110 1.00 0.00 C ATOM 344 CD1 LEU A 20 -2.057 -4.869 12.343 1.00 0.00 C ATOM 345 CD2 LEU A 20 -1.385 -7.051 13.372 1.00 0.00 C ATOM 0 H LEU A 20 -2.373 -8.175 8.856 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.601 -5.408 9.593 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.077 -7.121 11.202 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.565 -7.946 10.881 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.332 -6.005 11.843 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.571 -4.349 13.169 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.987 -4.262 11.440 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.106 -5.037 12.587 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.913 -6.499 14.185 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.415 -7.284 13.641 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.837 -7.977 13.196 1.00 0.00 H new ATOM 357 N PHE A 21 0.331 -6.724 8.879 1.00 0.00 N ATOM 358 CA PHE A 21 1.697 -6.375 8.517 1.00 0.00 C ATOM 359 C PHE A 21 1.671 -5.375 7.374 1.00 0.00 C ATOM 360 O PHE A 21 2.343 -4.346 7.415 1.00 0.00 O ATOM 361 CB PHE A 21 2.500 -7.622 8.121 1.00 0.00 C ATOM 362 CG PHE A 21 3.947 -7.332 7.836 1.00 0.00 C ATOM 363 CD1 PHE A 21 4.840 -7.113 8.872 1.00 0.00 C ATOM 364 CD2 PHE A 21 4.412 -7.277 6.532 1.00 0.00 C ATOM 365 CE1 PHE A 21 6.170 -6.845 8.614 1.00 0.00 C ATOM 366 CE2 PHE A 21 5.740 -7.010 6.268 1.00 0.00 C ATOM 367 CZ PHE A 21 6.621 -6.794 7.309 1.00 0.00 C ATOM 0 H PHE A 21 0.099 -7.710 8.763 1.00 0.00 H new ATOM 0 HA PHE A 21 2.188 -5.928 9.382 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.435 -8.357 8.923 1.00 0.00 H new ATOM 0 HB3 PHE A 21 2.046 -8.073 7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.492 -7.152 9.894 1.00 0.00 H new ATOM 0 HD2 PHE A 21 3.728 -7.445 5.713 1.00 0.00 H new ATOM 0 HE1 PHE A 21 6.856 -6.676 9.431 1.00 0.00 H new ATOM 0 HE2 PHE A 21 6.090 -6.970 5.247 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.661 -6.586 7.104 1.00 0.00 H new ATOM 377 N GLY A 22 0.864 -5.674 6.367 1.00 0.00 N ATOM 378 CA GLY A 22 0.678 -4.745 5.278 1.00 0.00 C ATOM 379 C GLY A 22 0.060 -3.456 5.759 1.00 0.00 C ATOM 380 O GLY A 22 0.495 -2.375 5.386 1.00 0.00 O ATOM 0 H GLY A 22 0.336 -6.543 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.638 -4.537 4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.040 -5.195 4.517 1.00 0.00 H new ATOM 384 N LYS A 23 -0.942 -3.581 6.615 1.00 0.00 N ATOM 385 CA LYS A 23 -1.640 -2.431 7.168 1.00 0.00 C ATOM 386 C LYS A 23 -0.659 -1.495 7.862 1.00 0.00 C ATOM 387 O LYS A 23 -0.797 -0.279 7.785 1.00 0.00 O ATOM 388 CB LYS A 23 -2.724 -2.910 8.135 1.00 0.00 C ATOM 389 CG LYS A 23 -3.620 -1.808 8.664 1.00 0.00 C ATOM 390 CD LYS A 23 -4.446 -1.173 7.554 1.00 0.00 C ATOM 391 CE LYS A 23 -5.491 -0.220 8.114 1.00 0.00 C ATOM 392 NZ LYS A 23 -6.411 -0.907 9.056 1.00 0.00 N ATOM 0 H LYS A 23 -1.294 -4.480 6.945 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.114 -1.873 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.341 -3.653 7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.247 -3.410 8.978 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.285 -2.214 9.426 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.011 -1.044 9.147 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.788 -0.634 6.872 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.937 -1.953 6.973 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.995 0.604 8.626 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.065 0.213 7.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.386 -0.589 8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.351 -1.935 8.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.141 -0.678 10.034 1.00 0.00 H new ATOM 406 N GLU A 24 0.339 -2.078 8.515 1.00 0.00 N ATOM 407 CA GLU A 24 1.434 -1.337 9.095 1.00 0.00 C ATOM 408 C GLU A 24 2.127 -0.472 8.047 1.00 0.00 C ATOM 409 O GLU A 24 2.281 0.736 8.235 1.00 0.00 O ATOM 410 CB GLU A 24 2.407 -2.333 9.687 1.00 0.00 C ATOM 411 CG GLU A 24 2.364 -2.395 11.192 1.00 0.00 C ATOM 412 CD GLU A 24 2.972 -1.170 11.838 1.00 0.00 C ATOM 413 OE1 GLU A 24 2.275 -0.488 12.617 1.00 0.00 O ATOM 414 OE2 GLU A 24 4.153 -0.878 11.561 1.00 0.00 O ATOM 0 H GLU A 24 0.404 -3.086 8.654 1.00 0.00 H new ATOM 0 HA GLU A 24 1.058 -0.667 9.868 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.191 -3.323 9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.417 -2.074 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.329 -2.499 11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.896 -3.283 11.532 1.00 0.00 H new ATOM 421 N LEU A 25 2.542 -1.106 6.950 1.00 0.00 N ATOM 422 CA LEU A 25 3.129 -0.407 5.806 1.00 0.00 C ATOM 423 C LEU A 25 2.261 0.768 5.371 1.00 0.00 C ATOM 424 O LEU A 25 2.706 1.916 5.356 1.00 0.00 O ATOM 425 CB LEU A 25 3.255 -1.355 4.612 1.00 0.00 C ATOM 426 CG LEU A 25 4.467 -2.282 4.584 1.00 0.00 C ATOM 427 CD1 LEU A 25 4.548 -3.136 5.834 1.00 0.00 C ATOM 428 CD2 LEU A 25 4.394 -3.155 3.345 1.00 0.00 C ATOM 0 H LEU A 25 2.481 -2.117 6.829 1.00 0.00 H new ATOM 0 HA LEU A 25 4.109 -0.047 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.357 -1.971 4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.268 -0.754 3.703 1.00 0.00 H new ATOM 0 HG LEU A 25 5.371 -1.673 4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.424 -3.782 5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.629 -2.492 6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.650 -3.748 5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.257 -3.821 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.479 -3.747 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.393 -2.525 2.456 1.00 0.00 H new ATOM 440 N LEU A 26 1.017 0.465 5.015 1.00 0.00 N ATOM 441 CA LEU A 26 0.099 1.463 4.487 1.00 0.00 C ATOM 442 C LEU A 26 -0.124 2.579 5.489 1.00 0.00 C ATOM 443 O LEU A 26 -0.158 3.749 5.129 1.00 0.00 O ATOM 444 CB LEU A 26 -1.241 0.829 4.114 1.00 0.00 C ATOM 445 CG LEU A 26 -1.254 0.032 2.809 1.00 0.00 C ATOM 446 CD1 LEU A 26 -0.433 -1.227 2.934 1.00 0.00 C ATOM 447 CD2 LEU A 26 -2.678 -0.292 2.396 1.00 0.00 C ATOM 0 H LEU A 26 0.621 -0.472 5.084 1.00 0.00 H new ATOM 0 HA LEU A 26 0.552 1.883 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.549 0.169 4.925 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.989 1.618 4.044 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.803 0.649 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.460 -1.774 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.598 -0.967 3.173 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.843 -1.851 3.728 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.667 -0.859 1.465 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.157 -0.884 3.176 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.234 0.634 2.250 1.00 0.00 H new ATOM 459 N ASP A 27 -0.278 2.198 6.743 1.00 0.00 N ATOM 460 CA ASP A 27 -0.466 3.152 7.833 1.00 0.00 C ATOM 461 C ASP A 27 0.752 4.072 7.974 1.00 0.00 C ATOM 462 O ASP A 27 0.621 5.247 8.313 1.00 0.00 O ATOM 463 CB ASP A 27 -0.717 2.388 9.135 1.00 0.00 C ATOM 464 CG ASP A 27 -1.033 3.287 10.307 1.00 0.00 C ATOM 465 OD1 ASP A 27 -2.208 3.675 10.464 1.00 0.00 O ATOM 466 OD2 ASP A 27 -0.110 3.582 11.092 1.00 0.00 O ATOM 0 H ASP A 27 -0.277 1.222 7.040 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.329 3.780 7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.544 1.693 8.986 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.163 1.790 9.372 1.00 0.00 H new ATOM 471 N LYS A 28 1.931 3.532 7.687 1.00 0.00 N ATOM 472 CA LYS A 28 3.174 4.299 7.739 1.00 0.00 C ATOM 473 C LYS A 28 3.185 5.412 6.696 1.00 0.00 C ATOM 474 O LYS A 28 3.467 6.569 7.010 1.00 0.00 O ATOM 475 CB LYS A 28 4.371 3.380 7.503 1.00 0.00 C ATOM 476 CG LYS A 28 4.806 2.593 8.724 1.00 0.00 C ATOM 477 CD LYS A 28 5.566 1.346 8.331 1.00 0.00 C ATOM 478 CE LYS A 28 6.565 0.950 9.396 1.00 0.00 C ATOM 479 NZ LYS A 28 5.949 0.818 10.745 1.00 0.00 N ATOM 0 H LYS A 28 2.054 2.557 7.413 1.00 0.00 H new ATOM 0 HA LYS A 28 3.242 4.749 8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.125 2.681 6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.211 3.980 7.154 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.433 3.219 9.359 1.00 0.00 H new ATOM 0 HG3 LYS A 28 3.931 2.318 9.313 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.865 0.528 8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.085 1.517 7.388 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.028 0.003 9.119 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.360 1.694 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 6.627 0.369 11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.697 1.760 11.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.092 0.232 10.680 1.00 0.00 H new ATOM 493 N PHE A 29 2.870 5.060 5.459 1.00 0.00 N ATOM 494 CA PHE A 29 2.975 5.999 4.346 1.00 0.00 C ATOM 495 C PHE A 29 1.621 6.603 4.029 1.00 0.00 C ATOM 496 O PHE A 29 1.448 7.244 2.999 1.00 0.00 O ATOM 497 CB PHE A 29 3.512 5.294 3.098 1.00 0.00 C ATOM 498 CG PHE A 29 4.786 4.542 3.327 1.00 0.00 C ATOM 499 CD1 PHE A 29 4.757 3.185 3.586 1.00 0.00 C ATOM 500 CD2 PHE A 29 6.009 5.190 3.284 1.00 0.00 C ATOM 501 CE1 PHE A 29 5.924 2.481 3.800 1.00 0.00 C ATOM 502 CE2 PHE A 29 7.181 4.491 3.496 1.00 0.00 C ATOM 503 CZ PHE A 29 7.137 3.135 3.755 1.00 0.00 C ATOM 0 H PHE A 29 2.539 4.131 5.198 1.00 0.00 H new ATOM 0 HA PHE A 29 3.664 6.791 4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.755 4.602 2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.675 6.035 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.809 2.669 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.047 6.250 3.083 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.888 1.421 4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 29 8.131 5.004 3.459 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.053 2.587 3.922 1.00 0.00 H new ATOM 513 N GLN A 30 0.672 6.402 4.926 1.00 0.00 N ATOM 514 CA GLN A 30 -0.705 6.800 4.694 1.00 0.00 C ATOM 515 C GLN A 30 -0.819 8.302 4.457 1.00 0.00 C ATOM 516 O GLN A 30 -1.680 8.750 3.708 1.00 0.00 O ATOM 517 CB GLN A 30 -1.570 6.389 5.880 1.00 0.00 C ATOM 518 CG GLN A 30 -1.626 7.414 6.973 1.00 0.00 C ATOM 519 CD GLN A 30 -2.429 6.967 8.174 1.00 0.00 C ATOM 520 OE1 GLN A 30 -3.633 7.198 8.258 1.00 0.00 O ATOM 521 NE2 GLN A 30 -1.761 6.320 9.113 1.00 0.00 N ATOM 0 H GLN A 30 0.833 5.961 5.831 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.057 6.293 3.795 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.582 6.191 5.528 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.187 5.455 6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.611 7.651 7.292 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.058 8.333 6.578 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.761 6.150 9.002 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.245 5.991 9.948 1.00 0.00 H new ATOM 530 N ASP A 31 0.054 9.074 5.090 1.00 0.00 N ATOM 531 CA ASP A 31 0.026 10.520 4.939 1.00 0.00 C ATOM 532 C ASP A 31 0.524 10.906 3.558 1.00 0.00 C ATOM 533 O ASP A 31 0.026 11.846 2.950 1.00 0.00 O ATOM 534 CB ASP A 31 0.864 11.196 6.025 1.00 0.00 C ATOM 535 CG ASP A 31 0.891 12.705 5.884 1.00 0.00 C ATOM 536 OD1 ASP A 31 -0.186 13.336 5.950 1.00 0.00 O ATOM 537 OD2 ASP A 31 1.995 13.265 5.727 1.00 0.00 O ATOM 0 H ASP A 31 0.786 8.725 5.709 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.003 10.863 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.464 10.933 7.004 1.00 0.00 H new ATOM 0 HB3 ASP A 31 1.883 10.812 5.984 1.00 0.00 H new ATOM 542 N ASP A 32 1.482 10.143 3.052 1.00 0.00 N ATOM 543 CA ASP A 32 1.990 10.338 1.700 1.00 0.00 C ATOM 544 C ASP A 32 0.937 9.872 0.702 1.00 0.00 C ATOM 545 O ASP A 32 0.694 10.505 -0.328 1.00 0.00 O ATOM 546 CB ASP A 32 3.287 9.552 1.511 1.00 0.00 C ATOM 547 CG ASP A 32 3.981 9.844 0.196 1.00 0.00 C ATOM 548 OD1 ASP A 32 4.701 10.862 0.116 1.00 0.00 O ATOM 549 OD2 ASP A 32 3.833 9.045 -0.752 1.00 0.00 O ATOM 0 H ASP A 32 1.926 9.378 3.560 1.00 0.00 H new ATOM 0 HA ASP A 32 2.201 11.394 1.535 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.966 9.784 2.331 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.069 8.486 1.569 1.00 0.00 H new ATOM 554 N ILE A 33 0.296 8.766 1.055 1.00 0.00 N ATOM 555 CA ILE A 33 -0.795 8.199 0.279 1.00 0.00 C ATOM 556 C ILE A 33 -1.969 9.171 0.183 1.00 0.00 C ATOM 557 O ILE A 33 -2.551 9.365 -0.882 1.00 0.00 O ATOM 558 CB ILE A 33 -1.279 6.876 0.920 1.00 0.00 C ATOM 559 CG1 ILE A 33 -0.177 5.816 0.844 1.00 0.00 C ATOM 560 CG2 ILE A 33 -2.541 6.378 0.236 1.00 0.00 C ATOM 561 CD1 ILE A 33 -0.503 4.537 1.585 1.00 0.00 C ATOM 0 H ILE A 33 0.522 8.234 1.895 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.419 8.004 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.511 7.066 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.014 5.579 -0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.744 6.234 1.249 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.864 5.447 0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.328 7.126 0.335 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.338 6.203 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.326 3.837 1.484 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.664 4.759 2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.406 4.093 1.165 1.00 0.00 H new ATOM 573 N LYS A 34 -2.293 9.792 1.296 1.00 0.00 N ATOM 574 CA LYS A 34 -3.457 10.647 1.391 1.00 0.00 C ATOM 575 C LYS A 34 -3.148 12.032 0.860 1.00 0.00 C ATOM 576 O LYS A 34 -4.021 12.726 0.343 1.00 0.00 O ATOM 577 CB LYS A 34 -3.903 10.695 2.839 1.00 0.00 C ATOM 578 CG LYS A 34 -5.239 11.379 3.062 1.00 0.00 C ATOM 579 CD LYS A 34 -5.952 10.810 4.276 1.00 0.00 C ATOM 580 CE LYS A 34 -5.053 10.796 5.502 1.00 0.00 C ATOM 581 NZ LYS A 34 -5.762 10.341 6.728 1.00 0.00 N ATOM 0 H LYS A 34 -1.757 9.719 2.161 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.266 10.245 0.780 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.962 9.676 3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -3.142 11.212 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.084 12.450 3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.865 11.256 2.178 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.843 11.402 4.485 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.287 9.796 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.201 10.142 5.316 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.655 11.797 5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.081 9.902 7.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.210 11.156 7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.491 9.646 6.470 1.00 0.00 H new ATOM 595 N ASP A 35 -1.900 12.427 0.989 1.00 0.00 N ATOM 596 CA ASP A 35 -1.441 13.681 0.413 1.00 0.00 C ATOM 597 C ASP A 35 -1.484 13.618 -1.109 1.00 0.00 C ATOM 598 O ASP A 35 -2.134 14.434 -1.765 1.00 0.00 O ATOM 599 CB ASP A 35 -0.020 13.996 0.866 1.00 0.00 C ATOM 600 CG ASP A 35 0.453 15.358 0.395 1.00 0.00 C ATOM 601 OD1 ASP A 35 0.093 16.368 1.034 1.00 0.00 O ATOM 602 OD2 ASP A 35 1.188 15.428 -0.611 1.00 0.00 O ATOM 0 H ASP A 35 -1.182 11.901 1.487 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.108 14.471 0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.028 13.955 1.954 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.656 13.230 0.488 1.00 0.00 H new ATOM 607 N LYS A 36 -0.807 12.621 -1.658 1.00 0.00 N ATOM 608 CA LYS A 36 -0.647 12.499 -3.101 1.00 0.00 C ATOM 609 C LYS A 36 -1.877 11.911 -3.788 1.00 0.00 C ATOM 610 O LYS A 36 -2.295 12.395 -4.838 1.00 0.00 O ATOM 611 CB LYS A 36 0.577 11.650 -3.413 1.00 0.00 C ATOM 612 CG LYS A 36 1.875 12.366 -3.115 1.00 0.00 C ATOM 613 CD LYS A 36 2.945 11.410 -2.655 1.00 0.00 C ATOM 614 CE LYS A 36 3.302 10.381 -3.713 1.00 0.00 C ATOM 615 NZ LYS A 36 4.423 9.517 -3.266 1.00 0.00 N ATOM 0 H LYS A 36 -0.356 11.879 -1.122 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.516 13.507 -3.494 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.533 10.729 -2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.558 11.364 -4.465 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.215 12.890 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.706 13.121 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.838 11.973 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.607 10.898 -1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.430 9.765 -3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.577 10.887 -4.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.378 8.605 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.328 9.983 -3.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.350 9.357 -2.241 1.00 0.00 H new ATOM 629 N TYR A 37 -2.455 10.872 -3.204 1.00 0.00 N ATOM 630 CA TYR A 37 -3.524 10.133 -3.870 1.00 0.00 C ATOM 631 C TYR A 37 -4.870 10.361 -3.190 1.00 0.00 C ATOM 632 O TYR A 37 -5.913 9.965 -3.713 1.00 0.00 O ATOM 633 CB TYR A 37 -3.190 8.642 -3.890 1.00 0.00 C ATOM 634 CG TYR A 37 -1.784 8.349 -4.363 1.00 0.00 C ATOM 635 CD1 TYR A 37 -1.464 8.348 -5.715 1.00 0.00 C ATOM 636 CD2 TYR A 37 -0.773 8.075 -3.451 1.00 0.00 C ATOM 637 CE1 TYR A 37 -0.177 8.081 -6.143 1.00 0.00 C ATOM 638 CE2 TYR A 37 0.515 7.808 -3.870 1.00 0.00 C ATOM 639 CZ TYR A 37 0.807 7.812 -5.215 1.00 0.00 C ATOM 640 OH TYR A 37 2.090 7.546 -5.632 1.00 0.00 O ATOM 0 H TYR A 37 -2.207 10.522 -2.279 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.602 10.501 -4.893 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.321 8.234 -2.888 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.899 8.127 -4.539 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.233 8.559 -6.443 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.999 8.071 -2.395 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.056 8.083 -7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.289 7.597 -3.147 1.00 0.00 H new ATOM 0 HH TYR A 37 2.544 6.995 -4.961 1.00 0.00 H new ATOM 650 N GLY A 38 -4.843 10.991 -2.024 1.00 0.00 N ATOM 651 CA GLY A 38 -6.073 11.312 -1.320 1.00 0.00 C ATOM 652 C GLY A 38 -6.779 10.083 -0.792 1.00 0.00 C ATOM 653 O GLY A 38 -8.003 9.976 -0.876 1.00 0.00 O ATOM 0 H GLY A 38 -3.990 11.287 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.848 11.982 -0.490 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -6.742 11.850 -1.992 1.00 0.00 H new ATOM 657 N VAL A 39 -6.008 9.149 -0.256 1.00 0.00 N ATOM 658 CA VAL A 39 -6.559 7.907 0.247 1.00 0.00 C ATOM 659 C VAL A 39 -6.302 7.758 1.736 1.00 0.00 C ATOM 660 O VAL A 39 -5.208 8.037 2.218 1.00 0.00 O ATOM 661 CB VAL A 39 -5.928 6.700 -0.445 1.00 0.00 C ATOM 662 CG1 VAL A 39 -6.709 5.437 -0.140 1.00 0.00 C ATOM 663 CG2 VAL A 39 -5.819 6.919 -1.944 1.00 0.00 C ATOM 0 H VAL A 39 -4.996 9.231 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.630 7.941 0.046 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.918 6.581 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.242 4.590 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.713 5.263 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.734 5.549 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.366 6.043 -2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.813 7.078 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.199 7.794 -2.140 1.00 0.00 H new ATOM 673 N ASP A 40 -7.305 7.296 2.445 1.00 0.00 N ATOM 674 CA ASP A 40 -7.174 7.012 3.861 1.00 0.00 C ATOM 675 C ASP A 40 -7.057 5.506 4.062 1.00 0.00 C ATOM 676 O ASP A 40 -7.983 4.753 3.753 1.00 0.00 O ATOM 677 CB ASP A 40 -8.366 7.572 4.635 1.00 0.00 C ATOM 678 CG ASP A 40 -8.151 7.518 6.130 1.00 0.00 C ATOM 679 OD1 ASP A 40 -8.927 6.836 6.823 1.00 0.00 O ATOM 680 OD2 ASP A 40 -7.197 8.156 6.616 1.00 0.00 O ATOM 0 H ASP A 40 -8.231 7.106 2.062 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.275 7.494 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.542 8.604 4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.262 7.007 4.378 1.00 0.00 H new ATOM 685 N THR A 41 -5.915 5.070 4.575 1.00 0.00 N ATOM 686 CA THR A 41 -5.588 3.650 4.635 1.00 0.00 C ATOM 687 C THR A 41 -6.436 2.894 5.651 1.00 0.00 C ATOM 688 O THR A 41 -6.421 1.665 5.686 1.00 0.00 O ATOM 689 CB THR A 41 -4.104 3.449 4.968 1.00 0.00 C ATOM 690 OG1 THR A 41 -3.760 4.211 6.131 1.00 0.00 O ATOM 691 CG2 THR A 41 -3.231 3.873 3.798 1.00 0.00 C ATOM 0 H THR A 41 -5.195 5.682 4.958 1.00 0.00 H new ATOM 0 HA THR A 41 -5.807 3.244 3.647 1.00 0.00 H new ATOM 0 HB THR A 41 -3.932 2.391 5.164 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.437 3.608 6.833 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.182 3.723 4.054 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.480 3.274 2.922 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.404 4.927 3.578 1.00 0.00 H new ATOM 699 N LYS A 42 -7.173 3.626 6.472 1.00 0.00 N ATOM 700 CA LYS A 42 -8.029 3.019 7.473 1.00 0.00 C ATOM 701 C LYS A 42 -9.239 2.361 6.809 1.00 0.00 C ATOM 702 O LYS A 42 -9.845 1.447 7.364 1.00 0.00 O ATOM 703 CB LYS A 42 -8.504 4.080 8.465 1.00 0.00 C ATOM 704 CG LYS A 42 -7.427 5.061 8.915 1.00 0.00 C ATOM 705 CD LYS A 42 -6.365 4.420 9.794 1.00 0.00 C ATOM 706 CE LYS A 42 -5.393 5.472 10.309 1.00 0.00 C ATOM 707 NZ LYS A 42 -4.378 4.910 11.236 1.00 0.00 N ATOM 0 H LYS A 42 -7.194 4.646 6.462 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.458 2.257 8.004 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -9.321 4.642 8.012 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.910 3.580 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.949 5.495 8.036 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.895 5.880 9.460 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.838 3.911 10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.824 3.663 9.227 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.888 5.939 9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.951 6.257 10.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.106 5.633 11.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.777 4.086 11.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.539 4.616 10.696 1.00 0.00 H new ATOM 721 N ASP A 43 -9.570 2.822 5.604 1.00 0.00 N ATOM 722 CA ASP A 43 -10.757 2.348 4.897 1.00 0.00 C ATOM 723 C ASP A 43 -10.395 1.191 3.991 1.00 0.00 C ATOM 724 O ASP A 43 -11.200 0.295 3.741 1.00 0.00 O ATOM 725 CB ASP A 43 -11.353 3.466 4.049 1.00 0.00 C ATOM 726 CG ASP A 43 -12.836 3.278 3.802 1.00 0.00 C ATOM 727 OD1 ASP A 43 -13.645 3.750 4.629 1.00 0.00 O ATOM 728 OD2 ASP A 43 -13.207 2.671 2.779 1.00 0.00 O ATOM 0 H ASP A 43 -9.032 3.524 5.097 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.487 2.024 5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.189 4.422 4.546 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.831 3.510 3.093 1.00 0.00 H new ATOM 733 N LEU A 44 -9.170 1.240 3.505 1.00 0.00 N ATOM 734 CA LEU A 44 -8.655 0.246 2.574 1.00 0.00 C ATOM 735 C LEU A 44 -8.708 -1.159 3.158 1.00 0.00 C ATOM 736 O LEU A 44 -8.210 -1.413 4.255 1.00 0.00 O ATOM 737 CB LEU A 44 -7.215 0.583 2.200 1.00 0.00 C ATOM 738 CG LEU A 44 -7.019 1.940 1.529 1.00 0.00 C ATOM 739 CD1 LEU A 44 -5.539 2.225 1.336 1.00 0.00 C ATOM 740 CD2 LEU A 44 -7.748 1.986 0.196 1.00 0.00 C ATOM 0 H LEU A 44 -8.499 1.971 3.743 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.288 0.268 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.605 0.550 3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.839 -0.192 1.533 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.439 2.710 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.415 3.196 0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.041 2.233 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.098 1.451 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.597 2.961 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.357 1.208 -0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.813 1.822 0.358 1.00 0.00 H new ATOM 752 N LYS A 45 -9.318 -2.065 2.417 1.00 0.00 N ATOM 753 CA LYS A 45 -9.352 -3.463 2.791 1.00 0.00 C ATOM 754 C LYS A 45 -8.186 -4.186 2.149 1.00 0.00 C ATOM 755 O LYS A 45 -8.186 -4.412 0.941 1.00 0.00 O ATOM 756 CB LYS A 45 -10.668 -4.089 2.341 1.00 0.00 C ATOM 757 CG LYS A 45 -10.791 -5.561 2.659 1.00 0.00 C ATOM 758 CD LYS A 45 -12.180 -6.074 2.331 1.00 0.00 C ATOM 759 CE LYS A 45 -12.476 -7.397 3.019 1.00 0.00 C ATOM 760 NZ LYS A 45 -11.663 -8.515 2.479 1.00 0.00 N ATOM 0 H LYS A 45 -9.801 -1.853 1.544 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.275 -3.550 3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.492 -3.556 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.775 -3.950 1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.049 -6.122 2.092 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.578 -5.728 3.715 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.921 -5.334 2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.276 -6.197 1.252 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.286 -7.297 4.088 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.534 -7.633 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.903 -9.393 2.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.862 -8.631 1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.653 -8.305 2.611 1.00 0.00 H new ATOM 774 N ILE A 46 -7.182 -4.525 2.936 1.00 0.00 N ATOM 775 CA ILE A 46 -6.018 -5.197 2.395 1.00 0.00 C ATOM 776 C ILE A 46 -6.349 -6.638 2.043 1.00 0.00 C ATOM 777 O ILE A 46 -6.544 -7.490 2.912 1.00 0.00 O ATOM 778 CB ILE A 46 -4.806 -5.132 3.341 1.00 0.00 C ATOM 779 CG1 ILE A 46 -4.430 -3.665 3.581 1.00 0.00 C ATOM 780 CG2 ILE A 46 -3.636 -5.904 2.743 1.00 0.00 C ATOM 781 CD1 ILE A 46 -3.189 -3.462 4.415 1.00 0.00 C ATOM 0 H ILE A 46 -7.149 -4.348 3.940 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.737 -4.666 1.486 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.059 -5.590 4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.287 -3.178 2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.266 -3.165 4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.783 -5.853 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.923 -6.946 2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.364 -5.467 1.782 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.000 -2.395 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.332 -3.915 5.396 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.337 -3.929 3.920 1.00 0.00 H new ATOM 793 N LEU A 47 -6.430 -6.881 0.747 1.00 0.00 N ATOM 794 CA LEU A 47 -6.817 -8.172 0.215 1.00 0.00 C ATOM 795 C LEU A 47 -5.632 -9.113 0.228 1.00 0.00 C ATOM 796 O LEU A 47 -5.712 -10.242 0.710 1.00 0.00 O ATOM 797 CB LEU A 47 -7.297 -8.004 -1.226 1.00 0.00 C ATOM 798 CG LEU A 47 -8.161 -6.769 -1.489 1.00 0.00 C ATOM 799 CD1 LEU A 47 -8.475 -6.651 -2.974 1.00 0.00 C ATOM 800 CD2 LEU A 47 -9.445 -6.823 -0.667 1.00 0.00 C ATOM 0 H LEU A 47 -6.228 -6.183 0.031 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.616 -8.584 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.425 -7.963 -1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.865 -8.891 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.602 -5.884 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.090 -5.768 -3.147 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.546 -6.561 -3.536 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.014 -7.539 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.044 -5.935 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.013 -7.713 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.197 -6.859 0.394 1.00 0.00 H new ATOM 812 N LYS A 48 -4.523 -8.623 -0.295 1.00 0.00 N ATOM 813 CA LYS A 48 -3.349 -9.431 -0.487 1.00 0.00 C ATOM 814 C LYS A 48 -2.098 -8.611 -0.255 1.00 0.00 C ATOM 815 O LYS A 48 -1.697 -7.811 -1.103 1.00 0.00 O ATOM 816 CB LYS A 48 -3.343 -10.002 -1.902 1.00 0.00 C ATOM 817 CG LYS A 48 -2.195 -10.955 -2.171 1.00 0.00 C ATOM 818 CD LYS A 48 -2.521 -11.879 -3.332 1.00 0.00 C ATOM 819 CE LYS A 48 -1.359 -12.791 -3.675 1.00 0.00 C ATOM 820 NZ LYS A 48 -0.163 -12.028 -4.114 1.00 0.00 N ATOM 0 H LYS A 48 -4.418 -7.654 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.365 -10.250 0.232 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.284 -10.523 -2.078 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.295 -9.180 -2.616 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.291 -10.388 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.989 -11.545 -1.278 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.394 -12.482 -3.081 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.785 -11.284 -4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.104 -13.396 -2.805 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.660 -13.480 -4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.559 -12.688 -4.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -0.431 -11.369 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.221 -11.492 -3.310 1.00 0.00 H new ATOM 834 N THR A 49 -1.512 -8.775 0.909 1.00 0.00 N ATOM 835 CA THR A 49 -0.209 -8.214 1.165 1.00 0.00 C ATOM 836 C THR A 49 0.831 -9.160 0.595 1.00 0.00 C ATOM 837 O THR A 49 0.815 -10.343 0.901 1.00 0.00 O ATOM 838 CB THR A 49 0.054 -8.040 2.670 1.00 0.00 C ATOM 839 OG1 THR A 49 -1.152 -7.667 3.347 1.00 0.00 O ATOM 840 CG2 THR A 49 1.115 -6.979 2.902 1.00 0.00 C ATOM 0 H THR A 49 -1.917 -9.291 1.690 1.00 0.00 H new ATOM 0 HA THR A 49 -0.157 -7.230 0.700 1.00 0.00 H new ATOM 0 HB THR A 49 0.407 -8.992 3.067 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.932 -7.118 4.129 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.290 -6.867 3.972 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.042 -7.278 2.412 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.776 -6.029 2.489 1.00 0.00 H new ATOM 848 N SER A 50 1.694 -8.671 -0.261 1.00 0.00 N ATOM 849 CA SER A 50 2.735 -9.505 -0.822 1.00 0.00 C ATOM 850 C SER A 50 3.992 -8.691 -1.044 1.00 0.00 C ATOM 851 O SER A 50 4.028 -7.494 -0.754 1.00 0.00 O ATOM 852 CB SER A 50 2.267 -10.129 -2.137 1.00 0.00 C ATOM 853 OG SER A 50 1.071 -10.870 -1.947 1.00 0.00 O ATOM 0 H SER A 50 1.699 -7.704 -0.585 1.00 0.00 H new ATOM 0 HA SER A 50 2.957 -10.307 -0.118 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.101 -9.346 -2.877 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.045 -10.782 -2.532 1.00 0.00 H new ATOM 0 HG SER A 50 1.287 -11.821 -1.850 1.00 0.00 H new ATOM 859 N GLU A 51 5.015 -9.338 -1.557 1.00 0.00 N ATOM 860 CA GLU A 51 6.276 -8.682 -1.800 1.00 0.00 C ATOM 861 C GLU A 51 7.048 -9.401 -2.891 1.00 0.00 C ATOM 862 O GLU A 51 6.630 -10.455 -3.377 1.00 0.00 O ATOM 863 CB GLU A 51 7.101 -8.624 -0.512 1.00 0.00 C ATOM 864 CG GLU A 51 7.199 -9.955 0.216 1.00 0.00 C ATOM 865 CD GLU A 51 8.117 -9.894 1.415 1.00 0.00 C ATOM 866 OE1 GLU A 51 7.620 -9.857 2.557 1.00 0.00 O ATOM 867 OE2 GLU A 51 9.350 -9.877 1.214 1.00 0.00 O ATOM 0 H GLU A 51 4.995 -10.325 -1.815 1.00 0.00 H new ATOM 0 HA GLU A 51 6.078 -7.663 -2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.106 -8.277 -0.751 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.660 -7.886 0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.205 -10.262 0.539 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.559 -10.717 -0.475 1.00 0.00 H new ATOM 874 N ASP A 52 8.161 -8.813 -3.273 1.00 0.00 N ATOM 875 CA ASP A 52 9.055 -9.394 -4.254 1.00 0.00 C ATOM 876 C ASP A 52 10.458 -8.913 -3.941 1.00 0.00 C ATOM 877 O ASP A 52 10.669 -8.304 -2.892 1.00 0.00 O ATOM 878 CB ASP A 52 8.640 -8.988 -5.674 1.00 0.00 C ATOM 879 CG ASP A 52 9.309 -9.834 -6.741 1.00 0.00 C ATOM 880 OD1 ASP A 52 10.256 -9.346 -7.392 1.00 0.00 O ATOM 881 OD2 ASP A 52 8.903 -11.002 -6.913 1.00 0.00 O ATOM 0 H ASP A 52 8.474 -7.913 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 52 9.013 -10.482 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 52 7.558 -9.076 -5.771 1.00 0.00 H new ATOM 0 HB3 ASP A 52 8.891 -7.940 -5.836 1.00 0.00 H new ATOM 886 N LYS A 53 11.407 -9.163 -4.828 1.00 0.00 N ATOM 887 CA LYS A 53 12.776 -8.732 -4.613 1.00 0.00 C ATOM 888 C LYS A 53 12.817 -7.217 -4.466 1.00 0.00 C ATOM 889 O LYS A 53 12.604 -6.496 -5.436 1.00 0.00 O ATOM 890 CB LYS A 53 13.693 -9.156 -5.774 1.00 0.00 C ATOM 891 CG LYS A 53 13.890 -10.661 -5.940 1.00 0.00 C ATOM 892 CD LYS A 53 12.624 -11.364 -6.406 1.00 0.00 C ATOM 893 CE LYS A 53 12.919 -12.731 -6.998 1.00 0.00 C ATOM 894 NZ LYS A 53 13.617 -12.630 -8.308 1.00 0.00 N ATOM 0 H LYS A 53 11.253 -9.663 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 53 13.138 -9.209 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.284 -8.756 -6.702 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.669 -8.693 -5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.689 -10.843 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.212 -11.089 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.939 -11.473 -5.565 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.120 -10.748 -7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 53 13.533 -13.303 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.986 -13.280 -7.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.532 -13.533 -8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.186 -11.871 -8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.622 -12.415 -8.150 1.00 0.00 H new ATOM 908 N ARG A 54 13.009 -6.754 -3.231 1.00 0.00 N ATOM 909 CA ARG A 54 13.225 -5.334 -2.936 1.00 0.00 C ATOM 910 C ARG A 54 11.925 -4.518 -2.978 1.00 0.00 C ATOM 911 O ARG A 54 11.917 -3.353 -2.593 1.00 0.00 O ATOM 912 CB ARG A 54 14.250 -4.736 -3.904 1.00 0.00 C ATOM 913 CG ARG A 54 15.319 -3.887 -3.240 1.00 0.00 C ATOM 914 CD ARG A 54 16.311 -3.384 -4.270 1.00 0.00 C ATOM 915 NE ARG A 54 17.494 -2.761 -3.674 1.00 0.00 N ATOM 916 CZ ARG A 54 18.716 -2.848 -4.208 1.00 0.00 C ATOM 917 NH1 ARG A 54 18.905 -3.543 -5.324 1.00 0.00 N ATOM 918 NH2 ARG A 54 19.747 -2.248 -3.632 1.00 0.00 N ATOM 0 H ARG A 54 13.020 -7.352 -2.405 1.00 0.00 H new ATOM 0 HA ARG A 54 13.609 -5.279 -1.917 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.734 -5.547 -4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 54 13.725 -4.127 -4.640 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.856 -3.043 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 54 15.838 -4.473 -2.482 1.00 0.00 H new ATOM 0 HD2 ARG A 54 16.625 -4.216 -4.900 1.00 0.00 H new ATOM 0 HD3 ARG A 54 15.816 -2.662 -4.919 1.00 0.00 H new ATOM 0 HE ARG A 54 17.380 -2.234 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.117 -4.010 -5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 54 19.838 -3.609 -5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.612 -1.714 -2.774 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.676 -2.320 -4.047 1.00 0.00 H new ATOM 932 N PHE A 55 10.831 -5.112 -3.445 1.00 0.00 N ATOM 933 CA PHE A 55 9.543 -4.406 -3.463 1.00 0.00 C ATOM 934 C PHE A 55 8.529 -5.053 -2.524 1.00 0.00 C ATOM 935 O PHE A 55 8.579 -6.253 -2.265 1.00 0.00 O ATOM 936 CB PHE A 55 8.904 -4.383 -4.859 1.00 0.00 C ATOM 937 CG PHE A 55 9.717 -3.761 -5.963 1.00 0.00 C ATOM 938 CD1 PHE A 55 9.258 -2.623 -6.610 1.00 0.00 C ATOM 939 CD2 PHE A 55 10.909 -4.325 -6.382 1.00 0.00 C ATOM 940 CE1 PHE A 55 9.975 -2.065 -7.650 1.00 0.00 C ATOM 941 CE2 PHE A 55 11.634 -3.768 -7.415 1.00 0.00 C ATOM 942 CZ PHE A 55 11.165 -2.637 -8.053 1.00 0.00 C ATOM 0 H PHE A 55 10.803 -6.064 -3.811 1.00 0.00 H new ATOM 0 HA PHE A 55 9.776 -3.391 -3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.671 -5.409 -5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.957 -3.848 -4.791 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.330 -2.168 -6.297 1.00 0.00 H new ATOM 0 HD2 PHE A 55 11.277 -5.215 -5.893 1.00 0.00 H new ATOM 0 HE1 PHE A 55 9.605 -1.181 -8.148 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.567 -4.216 -7.724 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.728 -2.201 -8.865 1.00 0.00 H new ATOM 952 N TYR A 56 7.620 -4.236 -2.013 1.00 0.00 N ATOM 953 CA TYR A 56 6.404 -4.714 -1.366 1.00 0.00 C ATOM 954 C TYR A 56 5.202 -4.343 -2.214 1.00 0.00 C ATOM 955 O TYR A 56 5.173 -3.275 -2.829 1.00 0.00 O ATOM 956 CB TYR A 56 6.231 -4.122 0.034 1.00 0.00 C ATOM 957 CG TYR A 56 6.699 -5.035 1.133 1.00 0.00 C ATOM 958 CD1 TYR A 56 7.929 -4.851 1.736 1.00 0.00 C ATOM 959 CD2 TYR A 56 5.909 -6.094 1.556 1.00 0.00 C ATOM 960 CE1 TYR A 56 8.368 -5.700 2.728 1.00 0.00 C ATOM 961 CE2 TYR A 56 6.338 -6.944 2.552 1.00 0.00 C ATOM 962 CZ TYR A 56 7.568 -6.746 3.134 1.00 0.00 C ATOM 963 OH TYR A 56 8.010 -7.608 4.107 1.00 0.00 O ATOM 0 H TYR A 56 7.704 -3.220 -2.035 1.00 0.00 H new ATOM 0 HA TYR A 56 6.485 -5.797 -1.267 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.781 -3.183 0.093 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.179 -3.885 0.192 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.556 -4.029 1.424 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.944 -6.254 1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.334 -5.547 3.185 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.711 -7.762 2.874 1.00 0.00 H new ATOM 0 HH TYR A 56 7.963 -8.529 3.774 1.00 0.00 H new ATOM 973 N TYR A 57 4.219 -5.221 -2.243 1.00 0.00 N ATOM 974 CA TYR A 57 3.019 -5.007 -3.039 1.00 0.00 C ATOM 975 C TYR A 57 1.773 -5.277 -2.205 1.00 0.00 C ATOM 976 O TYR A 57 1.503 -6.417 -1.828 1.00 0.00 O ATOM 977 CB TYR A 57 3.020 -5.921 -4.267 1.00 0.00 C ATOM 978 CG TYR A 57 4.204 -5.722 -5.189 1.00 0.00 C ATOM 979 CD1 TYR A 57 4.523 -4.464 -5.688 1.00 0.00 C ATOM 980 CD2 TYR A 57 4.998 -6.797 -5.565 1.00 0.00 C ATOM 981 CE1 TYR A 57 5.600 -4.287 -6.535 1.00 0.00 C ATOM 982 CE2 TYR A 57 6.076 -6.626 -6.411 1.00 0.00 C ATOM 983 CZ TYR A 57 6.372 -5.371 -6.894 1.00 0.00 C ATOM 984 OH TYR A 57 7.444 -5.197 -7.742 1.00 0.00 O ATOM 0 H TYR A 57 4.225 -6.097 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 57 3.011 -3.968 -3.368 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.004 -6.959 -3.933 1.00 0.00 H new ATOM 0 HB3 TYR A 57 2.103 -5.753 -4.831 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.920 -3.613 -5.409 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.769 -7.783 -5.190 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.836 -3.304 -6.914 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.684 -7.473 -6.693 1.00 0.00 H new ATOM 0 HH TYR A 57 8.073 -4.557 -7.348 1.00 0.00 H new ATOM 994 N VAL A 58 1.015 -4.233 -1.910 1.00 0.00 N ATOM 995 CA VAL A 58 -0.194 -4.384 -1.110 1.00 0.00 C ATOM 996 C VAL A 58 -1.440 -4.159 -1.952 1.00 0.00 C ATOM 997 O VAL A 58 -1.735 -3.032 -2.338 1.00 0.00 O ATOM 998 CB VAL A 58 -0.235 -3.400 0.073 1.00 0.00 C ATOM 999 CG1 VAL A 58 -1.405 -3.733 0.984 1.00 0.00 C ATOM 1000 CG2 VAL A 58 1.076 -3.404 0.842 1.00 0.00 C ATOM 0 H VAL A 58 1.212 -3.278 -2.209 1.00 0.00 H new ATOM 0 HA VAL A 58 -0.175 -5.404 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.375 -2.393 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.427 -3.032 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.336 -3.658 0.422 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.292 -4.748 1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.014 -2.699 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.267 -4.404 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.889 -3.112 0.177 1.00 0.00 H new ATOM 1010 N SER A 59 -2.173 -5.224 -2.232 1.00 0.00 N ATOM 1011 CA SER A 59 -3.406 -5.109 -2.991 1.00 0.00 C ATOM 1012 C SER A 59 -4.586 -4.926 -2.043 1.00 0.00 C ATOM 1013 O SER A 59 -4.832 -5.765 -1.177 1.00 0.00 O ATOM 1014 CB SER A 59 -3.611 -6.350 -3.849 1.00 0.00 C ATOM 1015 OG SER A 59 -2.437 -6.651 -4.587 1.00 0.00 O ATOM 0 H SER A 59 -1.936 -6.174 -1.946 1.00 0.00 H new ATOM 0 HA SER A 59 -3.339 -4.239 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.875 -7.197 -3.215 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.445 -6.192 -4.532 1.00 0.00 H new ATOM 0 HG SER A 59 -2.589 -7.452 -5.130 1.00 0.00 H new ATOM 1021 N VAL A 60 -5.296 -3.821 -2.199 1.00 0.00 N ATOM 1022 CA VAL A 60 -6.397 -3.483 -1.311 1.00 0.00 C ATOM 1023 C VAL A 60 -7.657 -3.154 -2.099 1.00 0.00 C ATOM 1024 O VAL A 60 -7.587 -2.751 -3.261 1.00 0.00 O ATOM 1025 CB VAL A 60 -6.048 -2.267 -0.422 1.00 0.00 C ATOM 1026 CG1 VAL A 60 -4.737 -2.500 0.306 1.00 0.00 C ATOM 1027 CG2 VAL A 60 -5.984 -0.990 -1.248 1.00 0.00 C ATOM 0 H VAL A 60 -5.128 -3.138 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.573 -4.357 -0.683 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.838 -2.150 0.319 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.507 -1.634 0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.823 -3.386 0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.938 -2.648 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.737 -0.149 -0.600 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.219 -1.092 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.951 -0.813 -1.719 1.00 0.00 H new ATOM 1037 N ASP A 61 -8.800 -3.342 -1.467 1.00 0.00 N ATOM 1038 CA ASP A 61 -10.055 -2.856 -2.007 1.00 0.00 C ATOM 1039 C ASP A 61 -10.278 -1.458 -1.465 1.00 0.00 C ATOM 1040 O ASP A 61 -10.416 -1.272 -0.253 1.00 0.00 O ATOM 1041 CB ASP A 61 -11.224 -3.769 -1.613 1.00 0.00 C ATOM 1042 CG ASP A 61 -12.531 -3.404 -2.307 1.00 0.00 C ATOM 1043 OD1 ASP A 61 -12.653 -2.279 -2.834 1.00 0.00 O ATOM 1044 OD2 ASP A 61 -13.450 -4.255 -2.327 1.00 0.00 O ATOM 0 H ASP A 61 -8.885 -3.830 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.007 -2.847 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.968 -4.801 -1.854 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.367 -3.720 -0.534 1.00 0.00 H new ATOM 1049 N ALA A 62 -10.267 -0.477 -2.349 1.00 0.00 N ATOM 1050 CA ALA A 62 -10.413 0.913 -1.938 1.00 0.00 C ATOM 1051 C ALA A 62 -11.840 1.219 -1.506 1.00 0.00 C ATOM 1052 O ALA A 62 -12.099 2.247 -0.886 1.00 0.00 O ATOM 1053 CB ALA A 62 -9.986 1.851 -3.050 1.00 0.00 C ATOM 0 H ALA A 62 -10.159 -0.613 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.761 1.071 -1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.104 2.883 -2.720 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.941 1.667 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.606 1.678 -3.930 1.00 0.00 H new ATOM 1059 N GLY A 63 -12.756 0.326 -1.835 1.00 0.00 N ATOM 1060 CA GLY A 63 -14.137 0.502 -1.443 1.00 0.00 C ATOM 1061 C GLY A 63 -14.841 -0.822 -1.302 1.00 0.00 C ATOM 1062 O GLY A 63 -14.529 -1.609 -0.406 1.00 0.00 O ATOM 0 H GLY A 63 -12.568 -0.522 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -14.182 1.042 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -14.652 1.113 -2.184 1.00 0.00 H new ATOM 1066 N ASP A 64 -15.798 -1.067 -2.180 1.00 0.00 N ATOM 1067 CA ASP A 64 -16.450 -2.362 -2.262 1.00 0.00 C ATOM 1068 C ASP A 64 -16.513 -2.809 -3.706 1.00 0.00 C ATOM 1069 O ASP A 64 -17.548 -2.699 -4.366 1.00 0.00 O ATOM 1070 CB ASP A 64 -17.851 -2.327 -1.651 1.00 0.00 C ATOM 1071 CG ASP A 64 -17.820 -2.295 -0.140 1.00 0.00 C ATOM 1072 OD1 ASP A 64 -17.445 -3.319 0.469 1.00 0.00 O ATOM 1073 OD2 ASP A 64 -18.177 -1.251 0.451 1.00 0.00 O ATOM 0 H ASP A 64 -16.143 -0.380 -2.851 1.00 0.00 H new ATOM 0 HA ASP A 64 -15.862 -3.077 -1.687 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -18.383 -1.450 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -18.411 -3.202 -1.982 1.00 0.00 H new ATOM 1078 N GLY A 65 -15.378 -3.262 -4.206 1.00 0.00 N ATOM 1079 CA GLY A 65 -15.296 -3.716 -5.576 1.00 0.00 C ATOM 1080 C GLY A 65 -14.025 -3.245 -6.240 1.00 0.00 C ATOM 1081 O GLY A 65 -13.690 -3.683 -7.340 1.00 0.00 O ATOM 0 H GLY A 65 -14.504 -3.324 -3.683 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.340 -4.805 -5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.157 -3.349 -6.134 1.00 0.00 H new ATOM 1085 N GLU A 66 -13.311 -2.355 -5.563 1.00 0.00 N ATOM 1086 CA GLU A 66 -12.072 -1.813 -6.073 1.00 0.00 C ATOM 1087 C GLU A 66 -10.917 -2.757 -5.796 1.00 0.00 C ATOM 1088 O GLU A 66 -11.053 -3.717 -5.038 1.00 0.00 O ATOM 1089 CB GLU A 66 -11.774 -0.465 -5.425 1.00 0.00 C ATOM 1090 CG GLU A 66 -12.682 0.662 -5.874 1.00 0.00 C ATOM 1091 CD GLU A 66 -12.598 0.920 -7.361 1.00 0.00 C ATOM 1092 OE1 GLU A 66 -11.535 1.377 -7.833 1.00 0.00 O ATOM 1093 OE2 GLU A 66 -13.601 0.681 -8.065 1.00 0.00 O ATOM 0 H GLU A 66 -13.579 -1.993 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.183 -1.686 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.854 -0.570 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.742 -0.192 -5.643 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.711 0.422 -5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.418 1.572 -5.336 1.00 0.00 H new ATOM 1100 N LYS A 67 -9.781 -2.453 -6.396 1.00 0.00 N ATOM 1101 CA LYS A 67 -8.560 -3.220 -6.207 1.00 0.00 C ATOM 1102 C LYS A 67 -7.361 -2.387 -6.614 1.00 0.00 C ATOM 1103 O LYS A 67 -7.132 -2.136 -7.796 1.00 0.00 O ATOM 1104 CB LYS A 67 -8.561 -4.522 -7.010 1.00 0.00 C ATOM 1105 CG LYS A 67 -9.368 -5.650 -6.387 1.00 0.00 C ATOM 1106 CD LYS A 67 -9.188 -6.957 -7.140 1.00 0.00 C ATOM 1107 CE LYS A 67 -7.753 -7.455 -7.071 1.00 0.00 C ATOM 1108 NZ LYS A 67 -7.573 -8.737 -7.802 1.00 0.00 N ATOM 0 H LYS A 67 -9.677 -1.663 -7.032 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.504 -3.479 -5.150 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.954 -4.319 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.531 -4.856 -7.136 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.064 -5.784 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.424 -5.379 -6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.855 -7.712 -6.723 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.475 -6.819 -8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.087 -6.701 -7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.465 -7.589 -6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.581 -9.041 -7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.189 -9.464 -7.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.823 -8.604 -8.803 1.00 0.00 H new ATOM 1122 N CYS A 68 -6.603 -1.954 -5.635 1.00 0.00 N ATOM 1123 CA CYS A 68 -5.439 -1.135 -5.888 1.00 0.00 C ATOM 1124 C CYS A 68 -4.246 -1.710 -5.166 1.00 0.00 C ATOM 1125 O CYS A 68 -4.349 -2.133 -4.021 1.00 0.00 O ATOM 1126 CB CYS A 68 -5.693 0.299 -5.441 1.00 0.00 C ATOM 1127 SG CYS A 68 -4.473 1.509 -6.040 1.00 0.00 S ATOM 0 H CYS A 68 -6.772 -2.156 -4.650 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.234 -1.128 -6.959 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -6.683 0.602 -5.783 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -5.709 0.328 -4.352 1.00 0.00 H new ATOM 1132 N LYS A 69 -3.120 -1.720 -5.834 1.00 0.00 N ATOM 1133 CA LYS A 69 -1.919 -2.312 -5.274 1.00 0.00 C ATOM 1134 C LYS A 69 -0.890 -1.227 -4.980 1.00 0.00 C ATOM 1135 O LYS A 69 -0.387 -0.567 -5.890 1.00 0.00 O ATOM 1136 CB LYS A 69 -1.319 -3.349 -6.222 1.00 0.00 C ATOM 1137 CG LYS A 69 -0.054 -3.985 -5.680 1.00 0.00 C ATOM 1138 CD LYS A 69 0.804 -4.586 -6.779 1.00 0.00 C ATOM 1139 CE LYS A 69 0.097 -5.703 -7.525 1.00 0.00 C ATOM 1140 NZ LYS A 69 1.044 -6.469 -8.377 1.00 0.00 N ATOM 0 H LYS A 69 -3.004 -1.326 -6.768 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.193 -2.815 -4.347 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.057 -4.128 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.100 -2.875 -7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.524 -3.236 -5.139 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.319 -4.762 -4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.085 -3.804 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.727 -4.971 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.378 -6.376 -6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.696 -5.284 -8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.531 -7.225 -8.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.479 -5.831 -9.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 1.786 -6.888 -7.781 1.00 0.00 H new ATOM 1154 N PHE A 70 -0.593 -1.033 -3.712 1.00 0.00 N ATOM 1155 CA PHE A 70 0.412 -0.070 -3.314 1.00 0.00 C ATOM 1156 C PHE A 70 1.796 -0.631 -3.571 1.00 0.00 C ATOM 1157 O PHE A 70 2.164 -1.686 -3.047 1.00 0.00 O ATOM 1158 CB PHE A 70 0.238 0.320 -1.847 1.00 0.00 C ATOM 1159 CG PHE A 70 -0.981 1.164 -1.618 1.00 0.00 C ATOM 1160 CD1 PHE A 70 -2.219 0.580 -1.403 1.00 0.00 C ATOM 1161 CD2 PHE A 70 -0.890 2.545 -1.635 1.00 0.00 C ATOM 1162 CE1 PHE A 70 -3.341 1.360 -1.210 1.00 0.00 C ATOM 1163 CE2 PHE A 70 -2.010 3.329 -1.439 1.00 0.00 C ATOM 1164 CZ PHE A 70 -3.237 2.736 -1.227 1.00 0.00 C ATOM 0 H PHE A 70 -1.034 -1.530 -2.938 1.00 0.00 H new ATOM 0 HA PHE A 70 0.290 0.834 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.170 -0.583 -1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.121 0.864 -1.512 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.307 -0.496 -1.386 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.068 3.015 -1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.301 0.893 -1.046 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.925 4.406 -1.452 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.114 3.347 -1.075 1.00 0.00 H new ATOM 1174 N LYS A 71 2.547 0.073 -4.394 1.00 0.00 N ATOM 1175 CA LYS A 71 3.859 -0.372 -4.802 1.00 0.00 C ATOM 1176 C LYS A 71 4.901 0.244 -3.882 1.00 0.00 C ATOM 1177 O LYS A 71 5.349 1.374 -4.087 1.00 0.00 O ATOM 1178 CB LYS A 71 4.104 0.039 -6.253 1.00 0.00 C ATOM 1179 CG LYS A 71 5.333 -0.579 -6.886 1.00 0.00 C ATOM 1180 CD LYS A 71 5.646 0.105 -8.208 1.00 0.00 C ATOM 1181 CE LYS A 71 6.840 -0.518 -8.915 1.00 0.00 C ATOM 1182 NZ LYS A 71 7.118 0.141 -10.220 1.00 0.00 N ATOM 0 H LYS A 71 2.264 0.967 -4.796 1.00 0.00 H new ATOM 0 HA LYS A 71 3.928 -1.458 -4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.231 -0.233 -6.846 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.195 1.124 -6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.184 -0.487 -6.211 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.170 -1.644 -7.050 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.773 0.050 -8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.844 1.162 -8.029 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.720 -0.443 -8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.653 -1.580 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.939 -0.312 -10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 6.288 0.048 -10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.322 1.149 -10.064 1.00 0.00 H new ATOM 1196 N ILE A 72 5.281 -0.487 -2.856 1.00 0.00 N ATOM 1197 CA ILE A 72 6.160 0.060 -1.845 1.00 0.00 C ATOM 1198 C ILE A 72 7.467 -0.697 -1.835 1.00 0.00 C ATOM 1199 O ILE A 72 7.617 -1.705 -1.158 1.00 0.00 O ATOM 1200 CB ILE A 72 5.509 0.052 -0.441 1.00 0.00 C ATOM 1201 CG1 ILE A 72 4.247 0.921 -0.464 1.00 0.00 C ATOM 1202 CG2 ILE A 72 6.491 0.546 0.618 1.00 0.00 C ATOM 1203 CD1 ILE A 72 3.526 1.013 0.864 1.00 0.00 C ATOM 0 H ILE A 72 4.998 -1.454 -2.700 1.00 0.00 H new ATOM 0 HA ILE A 72 6.352 1.103 -2.099 1.00 0.00 H new ATOM 0 HB ILE A 72 5.235 -0.970 -0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.519 1.926 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.560 0.522 -1.210 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.010 0.531 1.596 1.00 0.00 H new ATOM 0 HG22 ILE A 72 7.366 -0.104 0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.800 1.564 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.646 1.647 0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.219 0.016 1.181 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.193 1.442 1.611 1.00 0.00 H new ATOM 1215 N ARG A 73 8.394 -0.219 -2.641 1.00 0.00 N ATOM 1216 CA ARG A 73 9.703 -0.824 -2.746 1.00 0.00 C ATOM 1217 C ARG A 73 10.409 -0.712 -1.403 1.00 0.00 C ATOM 1218 O ARG A 73 10.913 0.352 -1.046 1.00 0.00 O ATOM 1219 CB ARG A 73 10.483 -0.128 -3.857 1.00 0.00 C ATOM 1220 CG ARG A 73 11.687 -0.889 -4.366 1.00 0.00 C ATOM 1221 CD ARG A 73 12.152 -0.312 -5.688 1.00 0.00 C ATOM 1222 NE ARG A 73 13.440 -0.849 -6.115 1.00 0.00 N ATOM 1223 CZ ARG A 73 13.918 -0.719 -7.353 1.00 0.00 C ATOM 1224 NH1 ARG A 73 13.216 -0.066 -8.272 1.00 0.00 N ATOM 1225 NH2 ARG A 73 15.102 -1.225 -7.669 1.00 0.00 N ATOM 0 H ARG A 73 8.260 0.597 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 73 9.625 -1.881 -2.999 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.809 0.057 -4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.814 0.845 -3.494 1.00 0.00 H new ATOM 0 HG2 ARG A 73 12.494 -0.838 -3.635 1.00 0.00 H new ATOM 0 HG3 ARG A 73 11.435 -1.942 -4.489 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.404 -0.520 -6.454 1.00 0.00 H new ATOM 0 HD3 ARG A 73 12.226 0.772 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 73 14.005 -1.351 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 73 12.310 0.337 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 73 13.583 0.033 -9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.651 -1.716 -6.964 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.464 -1.123 -8.617 1.00 0.00 H new ATOM 1239 N LYS A 74 10.363 -1.808 -0.652 1.00 0.00 N ATOM 1240 CA LYS A 74 10.857 -1.844 0.724 1.00 0.00 C ATOM 1241 C LYS A 74 12.246 -1.214 0.873 1.00 0.00 C ATOM 1242 O LYS A 74 13.235 -1.736 0.361 1.00 0.00 O ATOM 1243 CB LYS A 74 10.860 -3.282 1.263 1.00 0.00 C ATOM 1244 CG LYS A 74 11.674 -4.255 0.431 1.00 0.00 C ATOM 1245 CD LYS A 74 11.841 -5.599 1.122 1.00 0.00 C ATOM 1246 CE LYS A 74 10.805 -6.615 0.670 1.00 0.00 C ATOM 1247 NZ LYS A 74 11.076 -7.964 1.241 1.00 0.00 N ATOM 0 H LYS A 74 9.983 -2.697 -0.978 1.00 0.00 H new ATOM 0 HA LYS A 74 10.170 -1.241 1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 74 11.250 -3.276 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 74 9.832 -3.640 1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.187 -4.402 -0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.656 -3.827 0.231 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.839 -5.987 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.765 -5.462 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.812 -6.283 0.974 1.00 0.00 H new ATOM 0 HE3 LYS A 74 10.802 -6.674 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.177 -8.416 1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 11.563 -8.549 0.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.677 -7.870 2.084 1.00 0.00 H new ATOM 1261 N ASP A 75 12.269 -0.077 1.578 1.00 0.00 N ATOM 1262 CA ASP A 75 13.489 0.684 1.900 1.00 0.00 C ATOM 1263 C ASP A 75 14.508 0.692 0.766 1.00 0.00 C ATOM 1264 O ASP A 75 15.459 -0.097 0.739 1.00 0.00 O ATOM 1265 CB ASP A 75 14.125 0.191 3.199 1.00 0.00 C ATOM 1266 CG ASP A 75 15.454 0.868 3.504 1.00 0.00 C ATOM 1267 OD1 ASP A 75 16.363 0.211 4.064 1.00 0.00 O ATOM 1268 OD2 ASP A 75 15.589 2.072 3.210 1.00 0.00 O ATOM 0 H ASP A 75 11.422 0.352 1.951 1.00 0.00 H new ATOM 0 HA ASP A 75 13.171 1.717 2.039 1.00 0.00 H new ATOM 0 HB2 ASP A 75 13.436 0.367 4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.278 -0.886 3.136 1.00 0.00 H new ATOM 1273 N VAL A 76 14.295 1.581 -0.185 1.00 0.00 N ATOM 1274 CA VAL A 76 15.225 1.735 -1.279 1.00 0.00 C ATOM 1275 C VAL A 76 15.656 3.188 -1.432 1.00 0.00 C ATOM 1276 O VAL A 76 15.058 3.949 -2.198 1.00 0.00 O ATOM 1277 CB VAL A 76 14.647 1.212 -2.613 1.00 0.00 C ATOM 1278 CG1 VAL A 76 14.609 -0.306 -2.613 1.00 0.00 C ATOM 1279 CG2 VAL A 76 13.256 1.778 -2.862 1.00 0.00 C ATOM 0 H VAL A 76 13.488 2.204 -0.220 1.00 0.00 H new ATOM 0 HA VAL A 76 16.098 1.131 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 76 15.299 1.546 -3.420 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.199 -0.660 -3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.619 -0.695 -2.487 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.981 -0.654 -1.793 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.871 1.395 -3.807 1.00 0.00 H new ATOM 0 HG22 VAL A 76 12.591 1.479 -2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.308 2.866 -2.906 1.00 0.00 H new ATOM 1289 N ASP A 77 16.663 3.576 -0.652 1.00 0.00 N ATOM 1290 CA ASP A 77 17.292 4.899 -0.770 1.00 0.00 C ATOM 1291 C ASP A 77 16.385 5.991 -0.199 1.00 0.00 C ATOM 1292 O ASP A 77 16.676 6.567 0.848 1.00 0.00 O ATOM 1293 CB ASP A 77 17.645 5.224 -2.232 1.00 0.00 C ATOM 1294 CG ASP A 77 18.512 4.168 -2.896 1.00 0.00 C ATOM 1295 OD1 ASP A 77 19.743 4.176 -2.686 1.00 0.00 O ATOM 1296 OD2 ASP A 77 17.962 3.332 -3.652 1.00 0.00 O ATOM 0 H ASP A 77 17.068 2.989 0.077 1.00 0.00 H new ATOM 0 HA ASP A 77 18.215 4.870 -0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 77 16.724 5.338 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.163 6.183 -2.268 1.00 0.00 H new ATOM 1301 N VAL A 78 15.278 6.254 -0.880 1.00 0.00 N ATOM 1302 CA VAL A 78 14.338 7.286 -0.464 1.00 0.00 C ATOM 1303 C VAL A 78 13.330 6.716 0.532 1.00 0.00 C ATOM 1304 O VAL A 78 12.910 5.562 0.422 1.00 0.00 O ATOM 1305 CB VAL A 78 13.585 7.882 -1.681 1.00 0.00 C ATOM 1306 CG1 VAL A 78 12.734 6.819 -2.349 1.00 0.00 C ATOM 1307 CG2 VAL A 78 12.720 9.072 -1.291 1.00 0.00 C ATOM 0 H VAL A 78 15.007 5.761 -1.731 1.00 0.00 H new ATOM 0 HA VAL A 78 14.909 8.082 0.014 1.00 0.00 H new ATOM 0 HB VAL A 78 14.338 8.237 -2.384 1.00 0.00 H new ATOM 0 HG11 VAL A 78 12.212 7.254 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 78 13.372 6.004 -2.691 1.00 0.00 H new ATOM 0 HG13 VAL A 78 12.006 6.434 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.211 9.457 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 78 11.980 8.758 -0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.348 9.854 -0.864 1.00 0.00 H new ATOM 1317 N PRO A 79 12.961 7.511 1.539 1.00 0.00 N ATOM 1318 CA PRO A 79 11.949 7.138 2.517 1.00 0.00 C ATOM 1319 C PRO A 79 10.534 7.327 1.994 1.00 0.00 C ATOM 1320 O PRO A 79 9.923 8.374 2.213 1.00 0.00 O ATOM 1321 CB PRO A 79 12.206 8.111 3.656 1.00 0.00 C ATOM 1322 CG PRO A 79 12.702 9.333 2.976 1.00 0.00 C ATOM 1323 CD PRO A 79 13.514 8.845 1.811 1.00 0.00 C ATOM 0 HA PRO A 79 12.018 6.085 2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.297 8.311 4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 79 12.941 7.718 4.359 1.00 0.00 H new ATOM 0 HG2 PRO A 79 11.875 9.959 2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 79 13.308 9.938 3.650 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.414 9.504 0.949 1.00 0.00 H new ATOM 0 HD3 PRO A 79 14.575 8.797 2.054 1.00 0.00 H new ATOM 1331 N LYS A 80 10.012 6.316 1.320 1.00 0.00 N ATOM 1332 CA LYS A 80 8.701 6.433 0.681 1.00 0.00 C ATOM 1333 C LYS A 80 8.317 5.163 -0.057 1.00 0.00 C ATOM 1334 O LYS A 80 9.023 4.155 -0.010 1.00 0.00 O ATOM 1335 CB LYS A 80 8.682 7.594 -0.321 1.00 0.00 C ATOM 1336 CG LYS A 80 7.772 8.739 0.088 1.00 0.00 C ATOM 1337 CD LYS A 80 7.494 9.676 -1.074 1.00 0.00 C ATOM 1338 CE LYS A 80 8.654 10.621 -1.331 1.00 0.00 C ATOM 1339 NZ LYS A 80 8.751 11.678 -0.289 1.00 0.00 N ATOM 0 H LYS A 80 10.466 5.411 1.199 1.00 0.00 H new ATOM 0 HA LYS A 80 7.983 6.615 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.696 7.974 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.363 7.218 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 80 6.831 8.339 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.232 9.297 0.903 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.297 9.091 -1.972 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.594 10.255 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.584 10.054 -1.360 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.533 11.086 -2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.429 12.405 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.817 12.113 -0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.075 11.256 0.605 1.00 0.00 H new ATOM 1353 N MET A 81 7.180 5.232 -0.733 1.00 0.00 N ATOM 1354 CA MET A 81 6.756 4.182 -1.639 1.00 0.00 C ATOM 1355 C MET A 81 7.423 4.413 -2.991 1.00 0.00 C ATOM 1356 O MET A 81 7.793 5.541 -3.315 1.00 0.00 O ATOM 1357 CB MET A 81 5.230 4.201 -1.802 1.00 0.00 C ATOM 1358 CG MET A 81 4.727 5.405 -2.583 1.00 0.00 C ATOM 1359 SD MET A 81 2.933 5.475 -2.726 1.00 0.00 S ATOM 1360 CE MET A 81 2.504 6.232 -1.162 1.00 0.00 C ATOM 0 H MET A 81 6.530 6.015 -0.668 1.00 0.00 H new ATOM 0 HA MET A 81 7.045 3.211 -1.237 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.914 3.289 -2.309 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.765 4.195 -0.816 1.00 0.00 H new ATOM 0 HG2 MET A 81 5.080 6.315 -2.098 1.00 0.00 H new ATOM 0 HG3 MET A 81 5.162 5.387 -3.582 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.676 6.926 -1.309 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.208 5.459 -0.453 1.00 0.00 H new ATOM 0 HE3 MET A 81 3.366 6.773 -0.771 1.00 0.00 H new ATOM 1370 N VAL A 82 7.584 3.363 -3.774 1.00 0.00 N ATOM 1371 CA VAL A 82 8.169 3.516 -5.097 1.00 0.00 C ATOM 1372 C VAL A 82 7.096 3.950 -6.093 1.00 0.00 C ATOM 1373 O VAL A 82 7.386 4.605 -7.093 1.00 0.00 O ATOM 1374 CB VAL A 82 8.865 2.222 -5.585 1.00 0.00 C ATOM 1375 CG1 VAL A 82 7.866 1.101 -5.803 1.00 0.00 C ATOM 1376 CG2 VAL A 82 9.664 2.482 -6.853 1.00 0.00 C ATOM 0 H VAL A 82 7.324 2.409 -3.525 1.00 0.00 H new ATOM 0 HA VAL A 82 8.937 4.286 -5.029 1.00 0.00 H new ATOM 0 HB VAL A 82 9.554 1.905 -4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.390 0.208 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 82 7.353 0.884 -4.866 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.137 1.404 -6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.144 1.558 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 82 8.996 2.838 -7.637 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.426 3.236 -6.655 1.00 0.00 H new ATOM 1386 N GLY A 83 5.850 3.605 -5.796 1.00 0.00 N ATOM 1387 CA GLY A 83 4.757 3.977 -6.662 1.00 0.00 C ATOM 1388 C GLY A 83 3.421 3.491 -6.143 1.00 0.00 C ATOM 1389 O GLY A 83 3.324 2.960 -5.037 1.00 0.00 O ATOM 0 H GLY A 83 5.580 3.073 -4.969 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.731 5.062 -6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 83 4.929 3.566 -7.657 1.00 0.00 H new ATOM 1393 N ARG A 84 2.396 3.669 -6.946 1.00 0.00 N ATOM 1394 CA ARG A 84 1.061 3.214 -6.610 1.00 0.00 C ATOM 1395 C ARG A 84 0.269 3.030 -7.886 1.00 0.00 C ATOM 1396 O ARG A 84 0.180 3.944 -8.706 1.00 0.00 O ATOM 1397 CB ARG A 84 0.340 4.209 -5.701 1.00 0.00 C ATOM 1398 CG ARG A 84 -1.064 3.762 -5.317 1.00 0.00 C ATOM 1399 CD ARG A 84 -1.865 4.900 -4.717 1.00 0.00 C ATOM 1400 NE ARG A 84 -3.231 4.502 -4.373 1.00 0.00 N ATOM 1401 CZ ARG A 84 -4.324 5.025 -4.939 1.00 0.00 C ATOM 1402 NH1 ARG A 84 -4.211 5.864 -5.963 1.00 0.00 N ATOM 1403 NH2 ARG A 84 -5.529 4.677 -4.506 1.00 0.00 N ATOM 0 H ARG A 84 2.462 4.133 -7.852 1.00 0.00 H new ATOM 0 HA ARG A 84 1.144 2.270 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.928 4.356 -4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 84 0.282 5.175 -6.204 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.579 3.379 -6.198 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.003 2.942 -4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.360 5.264 -3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.898 5.729 -5.424 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.357 3.784 -3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.288 6.111 -6.320 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.047 6.261 -6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.623 4.010 -3.740 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -6.362 5.077 -4.939 1.00 0.00 H new ATOM 1417 N LYS A 85 -0.286 1.853 -8.064 1.00 0.00 N ATOM 1418 CA LYS A 85 -1.052 1.562 -9.251 1.00 0.00 C ATOM 1419 C LYS A 85 -2.128 0.543 -8.899 1.00 0.00 C ATOM 1420 O LYS A 85 -1.871 -0.418 -8.178 1.00 0.00 O ATOM 1421 CB LYS A 85 -0.117 1.049 -10.350 1.00 0.00 C ATOM 1422 CG LYS A 85 -0.518 1.478 -11.747 1.00 0.00 C ATOM 1423 CD LYS A 85 0.544 1.110 -12.763 1.00 0.00 C ATOM 1424 CE LYS A 85 0.083 1.405 -14.177 1.00 0.00 C ATOM 1425 NZ LYS A 85 1.158 1.175 -15.175 1.00 0.00 N ATOM 0 H LYS A 85 -0.220 1.081 -7.400 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.540 2.461 -9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.894 1.403 -10.148 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.087 -0.040 -10.309 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -1.462 1.005 -12.018 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -0.684 2.555 -11.765 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.458 1.665 -12.553 1.00 0.00 H new ATOM 0 HD3 LYS A 85 0.786 0.051 -12.671 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.774 0.776 -14.417 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.254 2.440 -14.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 0.799 1.389 -16.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 1.967 1.793 -14.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 1.462 0.181 -15.135 1.00 0.00 H new ATOM 1439 N CYS A 86 -3.336 0.759 -9.370 1.00 0.00 N ATOM 1440 CA CYS A 86 -4.451 -0.064 -8.944 1.00 0.00 C ATOM 1441 C CYS A 86 -4.731 -1.169 -9.943 1.00 0.00 C ATOM 1442 O CYS A 86 -5.142 -0.922 -11.078 1.00 0.00 O ATOM 1443 CB CYS A 86 -5.687 0.794 -8.726 1.00 0.00 C ATOM 1444 SG CYS A 86 -5.368 2.270 -7.700 1.00 0.00 S ATOM 0 H CYS A 86 -3.573 1.489 -10.042 1.00 0.00 H new ATOM 0 HA CYS A 86 -4.184 -0.535 -7.998 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.077 1.110 -9.694 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.461 0.191 -8.252 1.00 0.00 H new ATOM 1449 N ARG A 87 -4.529 -2.389 -9.489 1.00 0.00 N ATOM 1450 CA ARG A 87 -4.637 -3.558 -10.337 1.00 0.00 C ATOM 1451 C ARG A 87 -5.975 -4.226 -10.093 1.00 0.00 C ATOM 1452 O ARG A 87 -6.076 -5.222 -9.373 1.00 0.00 O ATOM 1453 CB ARG A 87 -3.482 -4.522 -10.062 1.00 0.00 C ATOM 1454 CG ARG A 87 -3.216 -5.488 -11.198 1.00 0.00 C ATOM 1455 CD ARG A 87 -1.845 -6.133 -11.069 1.00 0.00 C ATOM 1456 NE ARG A 87 -1.540 -7.005 -12.202 1.00 0.00 N ATOM 1457 CZ ARG A 87 -0.374 -7.010 -12.854 1.00 0.00 C ATOM 1458 NH1 ARG A 87 0.594 -6.165 -12.508 1.00 0.00 N ATOM 1459 NH2 ARG A 87 -0.187 -7.851 -13.862 1.00 0.00 N ATOM 0 H ARG A 87 -4.285 -2.598 -8.521 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.577 -3.260 -11.384 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.578 -3.946 -9.866 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.701 -5.089 -9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.984 -6.261 -11.207 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.283 -4.960 -12.149 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.084 -5.356 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.802 -6.710 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.264 -7.651 -12.515 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.448 -5.509 -11.741 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.482 -6.174 -13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -0.932 -8.491 -14.137 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.702 -7.858 -14.362 1.00 0.00 H new