USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS NZ :NH3+ 176:sc= 1.28 (180deg=1.16) USER MOD Single : A 2 ASN : amide:sc= 0.428 X(o=0.43,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -5 TYR OH : rot 180:sc= 0 USER MOD Single : A -7 MET CE :methyl 160:sc= -0.164 (180deg=-0.815) USER MOD Single : A -7 MET N :NH3+ 171:sc= -0.0468 (180deg=-0.182) USER MOD Single : A 10 SER OG : rot -26:sc= 0.328 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.964 K(o=0.96,f=-0.49) USER MOD Single : A 19 ASN : amide:sc=-0.00161 X(o=-0.0016,f=-0.0016) USER MOD Single : A 20 SER OG : rot 113:sc= 0.234 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc=-0.00358 X(o=-0.0036,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc=-0.00593 (180deg=-0.109) USER MOD Single : A 31 THR OG1 : rot -49:sc= 0.881 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 170:sc= 0 (180deg=-0.115) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.847 (180deg=0.144) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -151:sc= 1.08 (180deg=0.247) USER MOD Single : A 61 SER OG : rot -140:sc= -0.0967 USER MOD Single : A 62 LYS NZ :NH3+ -172:sc= -0.0154 (180deg=-0.161) USER MOD Single : A 63 GLN : amide:sc= 0.133 X(o=0.13,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -7 -36.600 14.444 2.060 1.00 20.00 N ATOM 2 CA MET A -7 -35.882 14.926 3.261 1.00 20.00 C ATOM 3 C MET A -7 -34.396 15.093 2.963 1.00 20.00 C ATOM 4 O MET A -7 -33.765 14.214 2.377 1.00 20.00 O ATOM 5 CB MET A -7 -36.089 13.966 4.441 1.00 20.00 C ATOM 6 CG MET A -7 -35.757 12.516 4.131 1.00 20.00 C ATOM 7 SD MET A -7 -36.035 11.422 5.537 1.00 20.00 S ATOM 8 CE MET A -7 -37.793 11.648 5.808 1.00 20.00 C ATOM 0 H1 MET A -7 -37.575 14.191 2.317 1.00 20.00 H new ATOM 0 H2 MET A -7 -36.616 15.195 1.340 1.00 20.00 H new ATOM 0 H3 MET A -7 -36.114 13.608 1.678 1.00 20.00 H new ATOM 0 HA MET A -7 -36.292 15.898 3.536 1.00 20.00 H new ATOM 0 HB2 MET A -7 -35.473 14.297 5.277 1.00 20.00 H new ATOM 0 HB3 MET A -7 -37.127 14.027 4.767 1.00 20.00 H new ATOM 0 HG2 MET A -7 -36.363 12.181 3.290 1.00 20.00 H new ATOM 0 HG3 MET A -7 -34.714 12.445 3.821 1.00 20.00 H new ATOM 0 HE1 MET A -7 -38.184 10.808 6.382 1.00 20.00 H new ATOM 0 HE2 MET A -7 -37.960 12.573 6.360 1.00 20.00 H new ATOM 0 HE3 MET A -7 -38.305 11.701 4.847 1.00 20.00 H new ATOM 20 N ASP A -6 -33.847 16.232 3.357 1.00 20.00 N ATOM 21 CA ASP A -6 -32.451 16.542 3.090 1.00 20.00 C ATOM 22 C ASP A -6 -31.866 17.421 4.195 1.00 20.00 C ATOM 23 O ASP A -6 -31.237 16.914 5.122 1.00 20.00 O ATOM 24 CB ASP A -6 -32.288 17.200 1.703 1.00 20.00 C ATOM 25 CG ASP A -6 -33.286 18.318 1.436 1.00 20.00 C ATOM 26 OD1 ASP A -6 -34.389 18.033 0.920 1.00 20.00 O ATOM 27 OD2 ASP A -6 -32.971 19.487 1.733 1.00 20.00 O ATOM 0 H ASP A -6 -34.350 16.960 3.865 1.00 20.00 H new ATOM 0 HA ASP A -6 -31.892 15.607 3.080 1.00 20.00 H new ATOM 0 HB2 ASP A -6 -31.277 17.599 1.616 1.00 20.00 H new ATOM 0 HB3 ASP A -6 -32.397 16.436 0.933 1.00 20.00 H new ATOM 32 N TYR A -5 -32.080 18.726 4.095 1.00 20.00 N ATOM 33 CA TYR A -5 -31.638 19.683 5.105 1.00 20.00 C ATOM 34 C TYR A -5 -32.666 20.802 5.229 1.00 20.00 C ATOM 35 O TYR A -5 -32.337 21.981 5.109 1.00 20.00 O ATOM 36 CB TYR A -5 -30.276 20.291 4.738 1.00 20.00 C ATOM 37 CG TYR A -5 -29.115 19.316 4.746 1.00 20.00 C ATOM 38 CD1 TYR A -5 -28.425 19.034 5.919 1.00 20.00 C ATOM 39 CD2 TYR A -5 -28.705 18.689 3.578 1.00 20.00 C ATOM 40 CE1 TYR A -5 -27.356 18.158 5.923 1.00 20.00 C ATOM 41 CE2 TYR A -5 -27.640 17.811 3.575 1.00 20.00 C ATOM 42 CZ TYR A -5 -26.969 17.548 4.748 1.00 20.00 C ATOM 43 OH TYR A -5 -25.901 16.677 4.745 1.00 20.00 O ATOM 0 H TYR A -5 -32.567 19.154 3.308 1.00 20.00 H new ATOM 0 HA TYR A -5 -31.537 19.154 6.053 1.00 20.00 H new ATOM 0 HB2 TYR A -5 -30.350 20.737 3.746 1.00 20.00 H new ATOM 0 HB3 TYR A -5 -30.056 21.100 5.435 1.00 20.00 H new ATOM 0 HD1 TYR A -5 -28.729 19.507 6.841 1.00 20.00 H new ATOM 0 HD2 TYR A -5 -29.228 18.892 2.655 1.00 20.00 H new ATOM 0 HE1 TYR A -5 -26.826 17.952 6.841 1.00 20.00 H new ATOM 0 HE2 TYR A -5 -27.334 17.332 2.656 1.00 20.00 H new ATOM 0 HH TYR A -5 -25.761 16.334 3.838 1.00 20.00 H new ATOM 53 N LYS A -4 -33.916 20.430 5.458 1.00 20.00 N ATOM 54 CA LYS A -4 -35.001 21.400 5.484 1.00 20.00 C ATOM 55 C LYS A -4 -35.139 22.025 6.872 1.00 20.00 C ATOM 56 O LYS A -4 -34.703 23.152 7.094 1.00 20.00 O ATOM 57 CB LYS A -4 -36.318 20.745 5.045 1.00 20.00 C ATOM 58 CG LYS A -4 -37.539 21.665 5.079 1.00 20.00 C ATOM 59 CD LYS A -4 -37.554 22.689 3.943 1.00 20.00 C ATOM 60 CE LYS A -4 -36.720 23.924 4.261 1.00 20.00 C ATOM 61 NZ LYS A -4 -36.954 25.026 3.288 1.00 20.00 N ATOM 0 H LYS A -4 -34.204 19.466 5.628 1.00 20.00 H new ATOM 0 HA LYS A -4 -34.765 22.198 4.780 1.00 20.00 H new ATOM 0 HB2 LYS A -4 -36.197 20.364 4.031 1.00 20.00 H new ATOM 0 HB3 LYS A -4 -36.511 19.886 5.687 1.00 20.00 H new ATOM 0 HG2 LYS A -4 -38.444 21.059 5.025 1.00 20.00 H new ATOM 0 HG3 LYS A -4 -37.563 22.191 6.034 1.00 20.00 H new ATOM 0 HD2 LYS A -4 -37.176 22.223 3.033 1.00 20.00 H new ATOM 0 HD3 LYS A -4 -38.582 22.990 3.743 1.00 20.00 H new ATOM 0 HE2 LYS A -4 -36.958 24.272 5.266 1.00 20.00 H new ATOM 0 HE3 LYS A -4 -35.663 23.657 4.258 1.00 20.00 H new ATOM 0 HZ1 LYS A -4 -36.366 25.845 3.543 1.00 20.00 H new ATOM 0 HZ2 LYS A -4 -36.702 24.704 2.332 1.00 20.00 H new ATOM 0 HZ3 LYS A -4 -37.957 25.300 3.308 1.00 20.00 H new ATOM 75 N ASP A -3 -35.731 21.289 7.802 1.00 20.00 N ATOM 76 CA ASP A -3 -35.934 21.791 9.157 1.00 20.00 C ATOM 77 C ASP A -3 -35.212 20.904 10.154 1.00 20.00 C ATOM 78 O ASP A -3 -35.830 20.294 11.031 1.00 20.00 O ATOM 79 CB ASP A -3 -37.425 21.858 9.495 1.00 20.00 C ATOM 80 CG ASP A -3 -38.153 22.949 8.739 1.00 20.00 C ATOM 81 OD1 ASP A -3 -37.834 24.138 8.941 1.00 20.00 O ATOM 82 OD2 ASP A -3 -39.074 22.629 7.960 1.00 20.00 O ATOM 0 H ASP A -3 -36.079 20.343 7.645 1.00 20.00 H new ATOM 0 HA ASP A -3 -35.524 22.799 9.215 1.00 20.00 H new ATOM 0 HB2 ASP A -3 -37.887 20.897 9.270 1.00 20.00 H new ATOM 0 HB3 ASP A -3 -37.542 22.025 10.566 1.00 20.00 H new ATOM 87 N ASP A -2 -33.895 20.856 10.015 1.00 20.00 N ATOM 88 CA ASP A -2 -33.051 19.955 10.795 1.00 20.00 C ATOM 89 C ASP A -2 -33.251 20.145 12.291 1.00 20.00 C ATOM 90 O ASP A -2 -33.699 19.237 12.987 1.00 20.00 O ATOM 91 CB ASP A -2 -31.577 20.166 10.438 1.00 20.00 C ATOM 92 CG ASP A -2 -31.302 19.945 8.967 1.00 20.00 C ATOM 93 OD1 ASP A -2 -31.193 18.773 8.549 1.00 20.00 O ATOM 94 OD2 ASP A -2 -31.202 20.941 8.222 1.00 20.00 O ATOM 0 H ASP A -2 -33.378 21.441 9.358 1.00 20.00 H new ATOM 0 HA ASP A -2 -33.344 18.936 10.545 1.00 20.00 H new ATOM 0 HB2 ASP A -2 -31.281 21.179 10.712 1.00 20.00 H new ATOM 0 HB3 ASP A -2 -30.962 19.484 11.026 1.00 20.00 H new ATOM 99 N ASP A -1 -32.927 21.322 12.788 1.00 20.00 N ATOM 100 CA ASP A -1 -33.049 21.593 14.214 1.00 20.00 C ATOM 101 C ASP A -1 -34.391 22.233 14.531 1.00 20.00 C ATOM 102 O ASP A -1 -34.821 22.250 15.682 1.00 20.00 O ATOM 103 CB ASP A -1 -31.905 22.485 14.703 1.00 20.00 C ATOM 104 CG ASP A -1 -30.568 21.770 14.695 1.00 20.00 C ATOM 105 OD1 ASP A -1 -30.307 20.972 15.623 1.00 20.00 O ATOM 106 OD2 ASP A -1 -29.773 21.991 13.756 1.00 20.00 O ATOM 0 H ASP A -1 -32.579 22.104 12.233 1.00 20.00 H new ATOM 0 HA ASP A -1 -32.989 20.640 14.740 1.00 20.00 H new ATOM 0 HB2 ASP A -1 -31.844 23.371 14.071 1.00 20.00 H new ATOM 0 HB3 ASP A -1 -32.123 22.829 15.714 1.00 20.00 H new ATOM 111 N ASP A 0 -35.055 22.735 13.498 1.00 20.00 N ATOM 112 CA ASP A 0 -36.348 23.392 13.659 1.00 20.00 C ATOM 113 C ASP A 0 -37.443 22.407 14.055 1.00 20.00 C ATOM 114 O ASP A 0 -37.956 22.454 15.171 1.00 20.00 O ATOM 115 CB ASP A 0 -36.758 24.113 12.371 1.00 20.00 C ATOM 116 CG ASP A 0 -36.071 25.451 12.201 1.00 20.00 C ATOM 117 OD1 ASP A 0 -36.610 26.462 12.693 1.00 20.00 O ATOM 118 OD2 ASP A 0 -34.999 25.501 11.563 1.00 20.00 O ATOM 0 H ASP A 0 -34.719 22.700 12.536 1.00 20.00 H new ATOM 0 HA ASP A 0 -36.232 24.119 14.463 1.00 20.00 H new ATOM 0 HB2 ASP A 0 -36.525 23.479 11.516 1.00 20.00 H new ATOM 0 HB3 ASP A 0 -37.838 24.262 12.372 1.00 20.00 H new ATOM 123 N LYS A 1 -37.785 21.506 13.143 1.00 20.00 N ATOM 124 CA LYS A 1 -38.923 20.614 13.353 1.00 20.00 C ATOM 125 C LYS A 1 -38.563 19.409 14.216 1.00 20.00 C ATOM 126 O LYS A 1 -39.446 18.733 14.740 1.00 20.00 O ATOM 127 CB LYS A 1 -39.505 20.150 12.013 1.00 20.00 C ATOM 128 CG LYS A 1 -40.393 21.191 11.343 1.00 20.00 C ATOM 129 CD LYS A 1 -40.996 20.661 10.051 1.00 20.00 C ATOM 130 CE LYS A 1 -42.016 21.627 9.462 1.00 20.00 C ATOM 131 NZ LYS A 1 -41.431 22.962 9.175 1.00 20.00 N ATOM 0 H LYS A 1 -37.297 21.372 12.257 1.00 20.00 H new ATOM 0 HA LYS A 1 -39.678 21.187 13.891 1.00 20.00 H new ATOM 0 HB2 LYS A 1 -38.687 19.894 11.340 1.00 20.00 H new ATOM 0 HB3 LYS A 1 -40.083 19.240 12.173 1.00 20.00 H new ATOM 0 HG2 LYS A 1 -41.191 21.483 12.025 1.00 20.00 H new ATOM 0 HG3 LYS A 1 -39.810 22.087 11.133 1.00 20.00 H new ATOM 0 HD2 LYS A 1 -40.202 20.485 9.325 1.00 20.00 H new ATOM 0 HD3 LYS A 1 -41.474 19.700 10.241 1.00 20.00 H new ATOM 0 HE2 LYS A 1 -42.422 21.206 8.542 1.00 20.00 H new ATOM 0 HE3 LYS A 1 -42.849 21.740 10.156 1.00 20.00 H new ATOM 0 HZ1 LYS A 1 -42.145 23.562 8.714 1.00 20.00 H new ATOM 0 HZ2 LYS A 1 -41.128 23.407 10.065 1.00 20.00 H new ATOM 0 HZ3 LYS A 1 -40.611 22.853 8.545 1.00 20.00 H new ATOM 145 N ASN A 2 -37.274 19.138 14.370 1.00 20.00 N ATOM 146 CA ASN A 2 -36.838 18.014 15.196 1.00 20.00 C ATOM 147 C ASN A 2 -36.651 18.449 16.642 1.00 20.00 C ATOM 148 O ASN A 2 -37.387 18.004 17.526 1.00 20.00 O ATOM 149 CB ASN A 2 -35.540 17.398 14.659 1.00 20.00 C ATOM 150 CG ASN A 2 -35.753 16.601 13.387 1.00 20.00 C ATOM 151 OD1 ASN A 2 -36.067 15.411 13.431 1.00 20.00 O ATOM 152 ND2 ASN A 2 -35.562 17.242 12.243 1.00 20.00 N ATOM 0 H ASN A 2 -36.518 19.672 13.941 1.00 20.00 H new ATOM 0 HA ASN A 2 -37.618 17.254 15.155 1.00 20.00 H new ATOM 0 HB2 ASN A 2 -34.818 18.192 14.469 1.00 20.00 H new ATOM 0 HB3 ASN A 2 -35.108 16.750 15.421 1.00 20.00 H new ATOM 0 HD21 ASN A 2 -35.674 16.749 11.357 1.00 20.00 H new ATOM 0 HD22 ASN A 2 -35.303 18.228 12.248 1.00 20.00 H new ATOM 159 N ARG A 3 -35.678 19.332 16.867 1.00 20.00 N ATOM 160 CA ARG A 3 -35.334 19.812 18.208 1.00 20.00 C ATOM 161 C ARG A 3 -34.755 18.688 19.069 1.00 20.00 C ATOM 162 O ARG A 3 -34.644 17.542 18.619 1.00 20.00 O ATOM 163 CB ARG A 3 -36.547 20.441 18.903 1.00 20.00 C ATOM 164 CG ARG A 3 -37.069 21.693 18.217 1.00 20.00 C ATOM 165 CD ARG A 3 -38.271 22.263 18.950 1.00 20.00 C ATOM 166 NE ARG A 3 -39.374 21.308 19.018 1.00 20.00 N ATOM 167 CZ ARG A 3 -40.417 21.432 19.837 1.00 20.00 C ATOM 168 NH1 ARG A 3 -40.505 22.473 20.653 1.00 20.00 N ATOM 169 NH2 ARG A 3 -41.375 20.514 19.833 1.00 20.00 N ATOM 0 H ARG A 3 -35.105 19.735 16.126 1.00 20.00 H new ATOM 0 HA ARG A 3 -34.571 20.581 18.089 1.00 20.00 H new ATOM 0 HB2 ARG A 3 -37.349 19.704 18.951 1.00 20.00 H new ATOM 0 HB3 ARG A 3 -36.278 20.687 19.930 1.00 20.00 H new ATOM 0 HG2 ARG A 3 -36.279 22.442 18.172 1.00 20.00 H new ATOM 0 HG3 ARG A 3 -37.345 21.459 17.189 1.00 20.00 H new ATOM 0 HD2 ARG A 3 -37.977 22.550 19.960 1.00 20.00 H new ATOM 0 HD3 ARG A 3 -38.607 23.169 18.446 1.00 20.00 H new ATOM 0 HE ARG A 3 -39.344 20.497 18.401 1.00 20.00 H new ATOM 0 HH11 ARG A 3 -39.772 23.183 20.655 1.00 20.00 H new ATOM 0 HH12 ARG A 3 -41.305 22.564 21.279 1.00 20.00 H new ATOM 0 HH21 ARG A 3 -41.312 19.714 19.203 1.00 20.00 H new ATOM 0 HH22 ARG A 3 -42.174 20.608 20.460 1.00 20.00 H new ATOM 183 N ALA A 4 -34.369 19.037 20.298 1.00 20.00 N ATOM 184 CA ALA A 4 -33.748 18.103 21.236 1.00 20.00 C ATOM 185 C ALA A 4 -32.370 17.667 20.736 1.00 20.00 C ATOM 186 O ALA A 4 -31.956 18.024 19.632 1.00 20.00 O ATOM 187 CB ALA A 4 -34.647 16.897 21.484 1.00 20.00 C ATOM 0 H ALA A 4 -34.479 19.980 20.671 1.00 20.00 H new ATOM 0 HA ALA A 4 -33.614 18.619 22.187 1.00 20.00 H new ATOM 0 HB1 ALA A 4 -34.161 16.219 22.185 1.00 20.00 H new ATOM 0 HB2 ALA A 4 -35.597 17.231 21.902 1.00 20.00 H new ATOM 0 HB3 ALA A 4 -34.827 16.378 20.543 1.00 20.00 H new ATOM 193 N LEU A 5 -31.655 16.906 21.552 1.00 20.00 N ATOM 194 CA LEU A 5 -30.309 16.477 21.199 1.00 20.00 C ATOM 195 C LEU A 5 -30.262 14.972 20.988 1.00 20.00 C ATOM 196 O LEU A 5 -29.689 14.234 21.789 1.00 20.00 O ATOM 197 CB LEU A 5 -29.294 16.891 22.272 1.00 20.00 C ATOM 198 CG LEU A 5 -28.842 18.356 22.227 1.00 20.00 C ATOM 199 CD1 LEU A 5 -29.954 19.293 22.672 1.00 20.00 C ATOM 200 CD2 LEU A 5 -27.610 18.551 23.091 1.00 20.00 C ATOM 0 H LEU A 5 -31.982 16.574 22.459 1.00 20.00 H new ATOM 0 HA LEU A 5 -30.040 16.971 20.266 1.00 20.00 H new ATOM 0 HB2 LEU A 5 -29.728 16.693 23.252 1.00 20.00 H new ATOM 0 HB3 LEU A 5 -28.414 16.255 22.179 1.00 20.00 H new ATOM 0 HG LEU A 5 -28.594 18.600 21.194 1.00 20.00 H new ATOM 0 HD11 LEU A 5 -29.601 20.323 22.628 1.00 20.00 H new ATOM 0 HD12 LEU A 5 -30.814 19.176 22.013 1.00 20.00 H new ATOM 0 HD13 LEU A 5 -30.245 19.052 23.694 1.00 20.00 H new ATOM 0 HD21 LEU A 5 -27.299 19.595 23.051 1.00 20.00 H new ATOM 0 HD22 LEU A 5 -27.842 18.281 24.121 1.00 20.00 H new ATOM 0 HD23 LEU A 5 -26.803 17.918 22.722 1.00 20.00 H new ATOM 212 N SER A 6 -30.878 14.526 19.909 1.00 20.00 N ATOM 213 CA SER A 6 -30.892 13.120 19.557 1.00 20.00 C ATOM 214 C SER A 6 -30.090 12.900 18.274 1.00 20.00 C ATOM 215 O SER A 6 -30.625 13.027 17.169 1.00 20.00 O ATOM 216 CB SER A 6 -32.334 12.643 19.378 1.00 20.00 C ATOM 217 OG SER A 6 -33.123 12.991 20.509 1.00 20.00 O ATOM 0 H SER A 6 -31.381 15.126 19.255 1.00 20.00 H new ATOM 0 HA SER A 6 -30.433 12.542 20.359 1.00 20.00 H new ATOM 0 HB2 SER A 6 -32.761 13.089 18.480 1.00 20.00 H new ATOM 0 HB3 SER A 6 -32.350 11.562 19.236 1.00 20.00 H new ATOM 0 HG SER A 6 -34.042 12.679 20.375 1.00 20.00 H new ATOM 223 N PRO A 7 -28.791 12.579 18.408 1.00 20.00 N ATOM 224 CA PRO A 7 -27.892 12.423 17.263 1.00 20.00 C ATOM 225 C PRO A 7 -28.115 11.110 16.515 1.00 20.00 C ATOM 226 O PRO A 7 -29.114 10.418 16.736 1.00 20.00 O ATOM 227 CB PRO A 7 -26.502 12.450 17.907 1.00 20.00 C ATOM 228 CG PRO A 7 -26.714 11.917 19.280 1.00 20.00 C ATOM 229 CD PRO A 7 -28.099 12.344 19.691 1.00 20.00 C ATOM 0 HA PRO A 7 -28.047 13.198 16.512 1.00 20.00 H new ATOM 0 HB2 PRO A 7 -25.794 11.837 17.349 1.00 20.00 H new ATOM 0 HB3 PRO A 7 -26.097 13.461 17.933 1.00 20.00 H new ATOM 0 HG2 PRO A 7 -26.622 10.831 19.294 1.00 20.00 H new ATOM 0 HG3 PRO A 7 -25.966 12.309 19.969 1.00 20.00 H new ATOM 0 HD2 PRO A 7 -28.597 11.573 20.279 1.00 20.00 H new ATOM 0 HD3 PRO A 7 -28.074 13.246 20.303 1.00 20.00 H new ATOM 237 N MET A 8 -27.173 10.775 15.633 1.00 20.00 N ATOM 238 CA MET A 8 -27.268 9.584 14.795 1.00 20.00 C ATOM 239 C MET A 8 -28.447 9.697 13.844 1.00 20.00 C ATOM 240 O MET A 8 -29.221 8.755 13.669 1.00 20.00 O ATOM 241 CB MET A 8 -27.375 8.303 15.633 1.00 20.00 C ATOM 242 CG MET A 8 -26.033 7.746 16.080 1.00 20.00 C ATOM 243 SD MET A 8 -25.128 8.858 17.171 1.00 20.00 S ATOM 244 CE MET A 8 -23.650 7.890 17.461 1.00 20.00 C ATOM 0 H MET A 8 -26.325 11.322 15.481 1.00 20.00 H new ATOM 0 HA MET A 8 -26.349 9.518 14.213 1.00 20.00 H new ATOM 0 HB2 MET A 8 -27.985 8.506 16.513 1.00 20.00 H new ATOM 0 HB3 MET A 8 -27.898 7.543 15.052 1.00 20.00 H new ATOM 0 HG2 MET A 8 -26.194 6.797 16.592 1.00 20.00 H new ATOM 0 HG3 MET A 8 -25.424 7.535 15.201 1.00 20.00 H new ATOM 0 HE1 MET A 8 -22.979 8.439 18.122 1.00 20.00 H new ATOM 0 HE2 MET A 8 -23.921 6.942 17.925 1.00 20.00 H new ATOM 0 HE3 MET A 8 -23.148 7.699 16.512 1.00 20.00 H new ATOM 254 N VAL A 9 -28.588 10.870 13.246 1.00 20.00 N ATOM 255 CA VAL A 9 -29.612 11.093 12.242 1.00 20.00 C ATOM 256 C VAL A 9 -29.153 10.505 10.914 1.00 20.00 C ATOM 257 O VAL A 9 -28.320 11.091 10.219 1.00 20.00 O ATOM 258 CB VAL A 9 -29.930 12.593 12.066 1.00 20.00 C ATOM 259 CG1 VAL A 9 -31.060 12.793 11.064 1.00 20.00 C ATOM 260 CG2 VAL A 9 -30.284 13.228 13.403 1.00 20.00 C ATOM 0 H VAL A 9 -28.004 11.683 13.441 1.00 20.00 H new ATOM 0 HA VAL A 9 -30.525 10.600 12.577 1.00 20.00 H new ATOM 0 HB VAL A 9 -29.038 13.084 11.677 1.00 20.00 H new ATOM 0 HG11 VAL A 9 -31.267 13.858 10.956 1.00 20.00 H new ATOM 0 HG12 VAL A 9 -30.767 12.381 10.098 1.00 20.00 H new ATOM 0 HG13 VAL A 9 -31.956 12.284 11.419 1.00 20.00 H new ATOM 0 HG21 VAL A 9 -30.505 14.285 13.257 1.00 20.00 H new ATOM 0 HG22 VAL A 9 -31.158 12.730 13.822 1.00 20.00 H new ATOM 0 HG23 VAL A 9 -29.443 13.124 14.089 1.00 20.00 H new ATOM 270 N SER A 10 -29.668 9.333 10.583 1.00 20.00 N ATOM 271 CA SER A 10 -29.250 8.638 9.377 1.00 20.00 C ATOM 272 C SER A 10 -30.437 7.957 8.695 1.00 20.00 C ATOM 273 O SER A 10 -30.297 7.372 7.616 1.00 20.00 O ATOM 274 CB SER A 10 -28.163 7.614 9.726 1.00 20.00 C ATOM 275 OG SER A 10 -27.612 7.013 8.566 1.00 20.00 O ATOM 0 H SER A 10 -30.375 8.843 11.131 1.00 20.00 H new ATOM 0 HA SER A 10 -28.843 9.366 8.676 1.00 20.00 H new ATOM 0 HB2 SER A 10 -27.371 8.104 10.292 1.00 20.00 H new ATOM 0 HB3 SER A 10 -28.585 6.842 10.370 1.00 20.00 H new ATOM 0 HG SER A 10 -28.272 7.033 7.842 1.00 20.00 H new ATOM 281 N GLU A 11 -31.614 8.059 9.300 1.00 20.00 N ATOM 282 CA GLU A 11 -32.797 7.416 8.746 1.00 20.00 C ATOM 283 C GLU A 11 -33.415 8.290 7.661 1.00 20.00 C ATOM 284 O GLU A 11 -34.428 8.956 7.874 1.00 20.00 O ATOM 285 CB GLU A 11 -33.828 7.116 9.840 1.00 20.00 C ATOM 286 CG GLU A 11 -34.987 6.247 9.364 1.00 20.00 C ATOM 287 CD GLU A 11 -36.010 5.984 10.444 1.00 20.00 C ATOM 288 OE1 GLU A 11 -35.713 5.208 11.374 1.00 20.00 O ATOM 289 OE2 GLU A 11 -37.123 6.545 10.364 1.00 20.00 O ATOM 0 H GLU A 11 -31.774 8.575 10.165 1.00 20.00 H new ATOM 0 HA GLU A 11 -32.490 6.468 8.304 1.00 20.00 H new ATOM 0 HB2 GLU A 11 -33.329 6.618 10.671 1.00 20.00 H new ATOM 0 HB3 GLU A 11 -34.223 8.057 10.223 1.00 20.00 H new ATOM 0 HG2 GLU A 11 -35.475 6.733 8.519 1.00 20.00 H new ATOM 0 HG3 GLU A 11 -34.596 5.296 9.002 1.00 20.00 H new ATOM 296 N PHE A 12 -32.779 8.298 6.503 1.00 20.00 N ATOM 297 CA PHE A 12 -33.283 9.033 5.353 1.00 20.00 C ATOM 298 C PHE A 12 -33.814 8.058 4.314 1.00 20.00 C ATOM 299 O PHE A 12 -33.825 8.350 3.118 1.00 20.00 O ATOM 300 CB PHE A 12 -32.179 9.900 4.741 1.00 20.00 C ATOM 301 CG PHE A 12 -31.644 10.959 5.670 1.00 20.00 C ATOM 302 CD1 PHE A 12 -32.303 12.171 5.816 1.00 20.00 C ATOM 303 CD2 PHE A 12 -30.483 10.743 6.398 1.00 20.00 C ATOM 304 CE1 PHE A 12 -31.814 13.145 6.665 1.00 20.00 C ATOM 305 CE2 PHE A 12 -29.990 11.714 7.247 1.00 20.00 C ATOM 306 CZ PHE A 12 -30.656 12.915 7.382 1.00 20.00 C ATOM 0 H PHE A 12 -31.905 7.800 6.332 1.00 20.00 H new ATOM 0 HA PHE A 12 -34.091 9.686 5.682 1.00 20.00 H new ATOM 0 HB2 PHE A 12 -31.357 9.256 4.429 1.00 20.00 H new ATOM 0 HB3 PHE A 12 -32.565 10.381 3.843 1.00 20.00 H new ATOM 0 HD1 PHE A 12 -33.210 12.355 5.259 1.00 20.00 H new ATOM 0 HD2 PHE A 12 -29.958 9.804 6.300 1.00 20.00 H new ATOM 0 HE1 PHE A 12 -32.336 14.085 6.768 1.00 20.00 H new ATOM 0 HE2 PHE A 12 -29.083 11.534 7.805 1.00 20.00 H new ATOM 0 HZ PHE A 12 -30.272 13.674 8.047 1.00 20.00 H new ATOM 316 N GLU A 13 -34.248 6.895 4.794 1.00 20.00 N ATOM 317 CA GLU A 13 -34.727 5.814 3.934 1.00 20.00 C ATOM 318 C GLU A 13 -33.643 5.375 2.958 1.00 20.00 C ATOM 319 O GLU A 13 -33.908 5.081 1.792 1.00 20.00 O ATOM 320 CB GLU A 13 -35.996 6.234 3.198 1.00 20.00 C ATOM 321 CG GLU A 13 -37.198 5.374 3.550 1.00 20.00 C ATOM 322 CD GLU A 13 -37.385 5.225 5.047 1.00 20.00 C ATOM 323 OE1 GLU A 13 -38.091 6.061 5.649 1.00 20.00 O ATOM 324 OE2 GLU A 13 -36.820 4.274 5.632 1.00 20.00 O ATOM 0 H GLU A 13 -34.278 6.675 5.790 1.00 20.00 H new ATOM 0 HA GLU A 13 -34.971 4.959 4.564 1.00 20.00 H new ATOM 0 HB2 GLU A 13 -36.219 7.275 3.434 1.00 20.00 H new ATOM 0 HB3 GLU A 13 -35.821 6.181 2.123 1.00 20.00 H new ATOM 0 HG2 GLU A 13 -38.096 5.815 3.117 1.00 20.00 H new ATOM 0 HG3 GLU A 13 -37.079 4.388 3.102 1.00 20.00 H new ATOM 331 N THR A 14 -32.417 5.338 3.459 1.00 20.00 N ATOM 332 CA THR A 14 -31.270 4.910 2.678 1.00 20.00 C ATOM 333 C THR A 14 -30.419 3.928 3.477 1.00 20.00 C ATOM 334 O THR A 14 -29.191 4.009 3.492 1.00 20.00 O ATOM 335 CB THR A 14 -30.413 6.122 2.257 1.00 20.00 C ATOM 336 OG1 THR A 14 -30.248 7.016 3.368 1.00 20.00 O ATOM 337 CG2 THR A 14 -31.051 6.865 1.094 1.00 20.00 C ATOM 0 H THR A 14 -32.191 5.604 4.418 1.00 20.00 H new ATOM 0 HA THR A 14 -31.638 4.413 1.780 1.00 20.00 H new ATOM 0 HB THR A 14 -29.438 5.753 1.938 1.00 20.00 H new ATOM 0 HG1 THR A 14 -29.702 7.782 3.093 1.00 20.00 H new ATOM 0 HG21 THR A 14 -30.426 7.714 0.818 1.00 20.00 H new ATOM 0 HG22 THR A 14 -31.147 6.193 0.241 1.00 20.00 H new ATOM 0 HG23 THR A 14 -32.038 7.221 1.388 1.00 20.00 H new ATOM 345 N ILE A 15 -31.087 3.004 4.152 1.00 20.00 N ATOM 346 CA ILE A 15 -30.408 2.029 4.992 1.00 20.00 C ATOM 347 C ILE A 15 -30.412 0.656 4.323 1.00 20.00 C ATOM 348 O ILE A 15 -29.571 -0.198 4.616 1.00 20.00 O ATOM 349 CB ILE A 15 -31.078 1.939 6.381 1.00 20.00 C ATOM 350 CG1 ILE A 15 -31.079 3.312 7.067 1.00 20.00 C ATOM 351 CG2 ILE A 15 -30.381 0.907 7.257 1.00 20.00 C ATOM 352 CD1 ILE A 15 -29.697 3.850 7.382 1.00 20.00 C ATOM 0 H ILE A 15 -32.102 2.909 4.134 1.00 20.00 H new ATOM 0 HA ILE A 15 -29.377 2.357 5.125 1.00 20.00 H new ATOM 0 HB ILE A 15 -32.111 1.620 6.238 1.00 20.00 H new ATOM 0 HG12 ILE A 15 -31.597 4.026 6.426 1.00 20.00 H new ATOM 0 HG13 ILE A 15 -31.649 3.243 7.993 1.00 20.00 H new ATOM 0 HG21 ILE A 15 -30.872 0.864 8.229 1.00 20.00 H new ATOM 0 HG22 ILE A 15 -30.434 -0.071 6.779 1.00 20.00 H new ATOM 0 HG23 ILE A 15 -29.337 1.189 7.391 1.00 20.00 H new ATOM 0 HD11 ILE A 15 -29.787 4.823 7.865 1.00 20.00 H new ATOM 0 HD12 ILE A 15 -29.181 3.160 8.049 1.00 20.00 H new ATOM 0 HD13 ILE A 15 -29.128 3.955 6.458 1.00 20.00 H new ATOM 364 N GLU A 16 -31.338 0.467 3.391 1.00 20.00 N ATOM 365 CA GLU A 16 -31.486 -0.806 2.695 1.00 20.00 C ATOM 366 C GLU A 16 -30.192 -1.186 1.974 1.00 20.00 C ATOM 367 O GLU A 16 -29.842 -2.361 1.884 1.00 20.00 O ATOM 368 CB GLU A 16 -32.663 -0.759 1.706 1.00 20.00 C ATOM 369 CG GLU A 16 -32.431 0.090 0.460 1.00 20.00 C ATOM 370 CD GLU A 16 -32.215 1.559 0.758 1.00 20.00 C ATOM 371 OE1 GLU A 16 -33.208 2.275 0.989 1.00 20.00 O ATOM 372 OE2 GLU A 16 -31.046 2.000 0.760 1.00 20.00 O ATOM 0 H GLU A 16 -32.002 1.184 3.098 1.00 20.00 H new ATOM 0 HA GLU A 16 -31.699 -1.572 3.440 1.00 20.00 H new ATOM 0 HB2 GLU A 16 -32.896 -1.777 1.394 1.00 20.00 H new ATOM 0 HB3 GLU A 16 -33.540 -0.377 2.228 1.00 20.00 H new ATOM 0 HG2 GLU A 16 -31.563 -0.295 -0.075 1.00 20.00 H new ATOM 0 HG3 GLU A 16 -33.288 -0.015 -0.205 1.00 20.00 H new ATOM 379 N GLN A 17 -29.483 -0.175 1.482 1.00 20.00 N ATOM 380 CA GLN A 17 -28.206 -0.376 0.807 1.00 20.00 C ATOM 381 C GLN A 17 -27.185 -1.030 1.736 1.00 20.00 C ATOM 382 O GLN A 17 -26.362 -1.833 1.300 1.00 20.00 O ATOM 383 CB GLN A 17 -27.666 0.962 0.286 1.00 20.00 C ATOM 384 CG GLN A 17 -27.397 1.986 1.380 1.00 20.00 C ATOM 385 CD GLN A 17 -26.972 3.331 0.830 1.00 20.00 C ATOM 386 OE1 GLN A 17 -26.371 3.418 -0.240 1.00 20.00 O ATOM 387 NE2 GLN A 17 -27.285 4.393 1.553 1.00 20.00 N ATOM 0 H GLN A 17 -29.775 0.801 1.539 1.00 20.00 H new ATOM 0 HA GLN A 17 -28.373 -1.047 -0.036 1.00 20.00 H new ATOM 0 HB2 GLN A 17 -26.742 0.781 -0.264 1.00 20.00 H new ATOM 0 HB3 GLN A 17 -28.381 1.380 -0.422 1.00 20.00 H new ATOM 0 HG2 GLN A 17 -28.296 2.112 1.983 1.00 20.00 H new ATOM 0 HG3 GLN A 17 -26.619 1.607 2.043 1.00 20.00 H new ATOM 0 HE21 GLN A 17 -27.784 4.280 2.435 1.00 20.00 H new ATOM 0 HE22 GLN A 17 -27.027 5.325 1.228 1.00 20.00 H new ATOM 396 N GLU A 18 -27.254 -0.697 3.018 1.00 20.00 N ATOM 397 CA GLU A 18 -26.324 -1.237 3.999 1.00 20.00 C ATOM 398 C GLU A 18 -26.800 -2.594 4.488 1.00 20.00 C ATOM 399 O GLU A 18 -25.998 -3.468 4.816 1.00 20.00 O ATOM 400 CB GLU A 18 -26.175 -0.277 5.182 1.00 20.00 C ATOM 401 CG GLU A 18 -25.523 1.045 4.815 1.00 20.00 C ATOM 402 CD GLU A 18 -24.109 0.871 4.305 1.00 20.00 C ATOM 403 OE1 GLU A 18 -23.930 0.654 3.090 1.00 20.00 O ATOM 404 OE2 GLU A 18 -23.167 0.942 5.120 1.00 20.00 O ATOM 0 H GLU A 18 -27.946 -0.054 3.403 1.00 20.00 H new ATOM 0 HA GLU A 18 -25.352 -1.356 3.521 1.00 20.00 H new ATOM 0 HB2 GLU A 18 -27.160 -0.081 5.606 1.00 20.00 H new ATOM 0 HB3 GLU A 18 -25.583 -0.761 5.959 1.00 20.00 H new ATOM 0 HG2 GLU A 18 -26.122 1.543 4.053 1.00 20.00 H new ATOM 0 HG3 GLU A 18 -25.513 1.697 5.689 1.00 20.00 H new ATOM 411 N ASN A 19 -28.115 -2.765 4.508 1.00 20.00 N ATOM 412 CA ASN A 19 -28.735 -4.009 4.959 1.00 20.00 C ATOM 413 C ASN A 19 -28.444 -5.140 3.972 1.00 20.00 C ATOM 414 O ASN A 19 -28.602 -6.318 4.295 1.00 20.00 O ATOM 415 CB ASN A 19 -30.247 -3.816 5.130 1.00 20.00 C ATOM 416 CG ASN A 19 -30.921 -5.004 5.793 1.00 20.00 C ATOM 417 OD1 ASN A 19 -30.953 -5.106 7.020 1.00 20.00 O ATOM 418 ND2 ASN A 19 -31.486 -5.897 4.995 1.00 20.00 N ATOM 0 H ASN A 19 -28.781 -2.051 4.214 1.00 20.00 H new ATOM 0 HA ASN A 19 -28.310 -4.281 5.925 1.00 20.00 H new ATOM 0 HB2 ASN A 19 -30.429 -2.922 5.726 1.00 20.00 H new ATOM 0 HB3 ASN A 19 -30.700 -3.646 4.153 1.00 20.00 H new ATOM 0 HD21 ASN A 19 -31.968 -6.703 5.392 1.00 20.00 H new ATOM 0 HD22 ASN A 19 -31.439 -5.779 3.983 1.00 20.00 H new ATOM 425 N SER A 20 -27.994 -4.764 2.776 1.00 20.00 N ATOM 426 CA SER A 20 -27.645 -5.719 1.725 1.00 20.00 C ATOM 427 C SER A 20 -26.571 -6.715 2.183 1.00 20.00 C ATOM 428 O SER A 20 -26.310 -7.712 1.508 1.00 20.00 O ATOM 429 CB SER A 20 -27.158 -4.967 0.485 1.00 20.00 C ATOM 430 OG SER A 20 -28.087 -3.967 0.102 1.00 20.00 O ATOM 0 H SER A 20 -27.861 -3.789 2.508 1.00 20.00 H new ATOM 0 HA SER A 20 -28.543 -6.290 1.487 1.00 20.00 H new ATOM 0 HB2 SER A 20 -26.190 -4.510 0.689 1.00 20.00 H new ATOM 0 HB3 SER A 20 -27.013 -5.668 -0.337 1.00 20.00 H new ATOM 0 HG SER A 20 -27.691 -3.082 0.243 1.00 20.00 H new ATOM 436 N TYR A 21 -25.941 -6.442 3.324 1.00 20.00 N ATOM 437 CA TYR A 21 -24.928 -7.339 3.869 1.00 20.00 C ATOM 438 C TYR A 21 -25.551 -8.685 4.236 1.00 20.00 C ATOM 439 O TYR A 21 -24.874 -9.709 4.240 1.00 20.00 O ATOM 440 CB TYR A 21 -24.243 -6.720 5.097 1.00 20.00 C ATOM 441 CG TYR A 21 -25.051 -6.789 6.382 1.00 20.00 C ATOM 442 CD1 TYR A 21 -26.065 -5.876 6.647 1.00 20.00 C ATOM 443 CD2 TYR A 21 -24.787 -7.765 7.338 1.00 20.00 C ATOM 444 CE1 TYR A 21 -26.791 -5.933 7.822 1.00 20.00 C ATOM 445 CE2 TYR A 21 -25.510 -7.830 8.512 1.00 20.00 C ATOM 446 CZ TYR A 21 -26.510 -6.912 8.750 1.00 20.00 C ATOM 447 OH TYR A 21 -27.224 -6.970 9.925 1.00 20.00 O ATOM 0 H TYR A 21 -26.114 -5.609 3.886 1.00 20.00 H new ATOM 0 HA TYR A 21 -24.171 -7.497 3.101 1.00 20.00 H new ATOM 0 HB2 TYR A 21 -23.290 -7.225 5.256 1.00 20.00 H new ATOM 0 HB3 TYR A 21 -24.018 -5.675 4.882 1.00 20.00 H new ATOM 0 HD1 TYR A 21 -26.290 -5.108 5.922 1.00 20.00 H new ATOM 0 HD2 TYR A 21 -24.002 -8.485 7.158 1.00 20.00 H new ATOM 0 HE1 TYR A 21 -27.574 -5.214 8.012 1.00 20.00 H new ATOM 0 HE2 TYR A 21 -25.293 -8.597 9.241 1.00 20.00 H new ATOM 0 HH TYR A 21 -26.901 -7.720 10.467 1.00 20.00 H new ATOM 457 N ASN A 22 -26.851 -8.671 4.525 1.00 20.00 N ATOM 458 CA ASN A 22 -27.568 -9.886 4.901 1.00 20.00 C ATOM 459 C ASN A 22 -27.601 -10.863 3.732 1.00 20.00 C ATOM 460 O ASN A 22 -27.527 -12.078 3.917 1.00 20.00 O ATOM 461 CB ASN A 22 -28.996 -9.550 5.347 1.00 20.00 C ATOM 462 CG ASN A 22 -29.722 -10.745 5.946 1.00 20.00 C ATOM 463 OD1 ASN A 22 -29.646 -10.987 7.152 1.00 20.00 O ATOM 464 ND2 ASN A 22 -30.433 -11.495 5.118 1.00 20.00 N ATOM 0 H ASN A 22 -27.429 -7.831 4.506 1.00 20.00 H new ATOM 0 HA ASN A 22 -27.043 -10.352 5.735 1.00 20.00 H new ATOM 0 HB2 ASN A 22 -28.963 -8.745 6.081 1.00 20.00 H new ATOM 0 HB3 ASN A 22 -29.561 -9.178 4.492 1.00 20.00 H new ATOM 0 HD21 ASN A 22 -30.942 -12.305 5.473 1.00 20.00 H new ATOM 0 HD22 ASN A 22 -30.472 -11.263 4.126 1.00 20.00 H new ATOM 471 N GLU A 23 -27.688 -10.312 2.526 1.00 20.00 N ATOM 472 CA GLU A 23 -27.716 -11.114 1.309 1.00 20.00 C ATOM 473 C GLU A 23 -26.439 -11.937 1.182 1.00 20.00 C ATOM 474 O GLU A 23 -26.482 -13.144 0.944 1.00 20.00 O ATOM 475 CB GLU A 23 -27.891 -10.206 0.085 1.00 20.00 C ATOM 476 CG GLU A 23 -28.018 -10.960 -1.227 1.00 20.00 C ATOM 477 CD GLU A 23 -29.195 -11.911 -1.232 1.00 20.00 C ATOM 478 OE1 GLU A 23 -29.024 -13.077 -0.827 1.00 20.00 O ATOM 479 OE2 GLU A 23 -30.300 -11.504 -1.642 1.00 20.00 O ATOM 0 H GLU A 23 -27.741 -9.306 2.365 1.00 20.00 H new ATOM 0 HA GLU A 23 -28.562 -11.800 1.362 1.00 20.00 H new ATOM 0 HB2 GLU A 23 -28.779 -9.590 0.226 1.00 20.00 H new ATOM 0 HB3 GLU A 23 -27.039 -9.529 0.023 1.00 20.00 H new ATOM 0 HG2 GLU A 23 -28.127 -10.247 -2.044 1.00 20.00 H new ATOM 0 HG3 GLU A 23 -27.101 -11.519 -1.412 1.00 20.00 H new ATOM 486 N TRP A 24 -25.302 -11.289 1.368 1.00 20.00 N ATOM 487 CA TRP A 24 -24.027 -11.969 1.240 1.00 20.00 C ATOM 488 C TRP A 24 -23.749 -12.810 2.479 1.00 20.00 C ATOM 489 O TRP A 24 -23.034 -13.809 2.418 1.00 20.00 O ATOM 490 CB TRP A 24 -22.902 -10.965 1.010 1.00 20.00 C ATOM 491 CG TRP A 24 -21.656 -11.602 0.479 1.00 20.00 C ATOM 492 CD1 TRP A 24 -20.446 -11.695 1.101 1.00 20.00 C ATOM 493 CD2 TRP A 24 -21.509 -12.252 -0.788 1.00 20.00 C ATOM 494 NE1 TRP A 24 -19.553 -12.354 0.291 1.00 20.00 N ATOM 495 CE2 TRP A 24 -20.183 -12.707 -0.872 1.00 20.00 C ATOM 496 CE3 TRP A 24 -22.373 -12.488 -1.862 1.00 20.00 C ATOM 497 CZ2 TRP A 24 -19.700 -13.387 -1.985 1.00 20.00 C ATOM 498 CZ3 TRP A 24 -21.892 -13.163 -2.966 1.00 20.00 C ATOM 499 CH2 TRP A 24 -20.566 -13.607 -3.020 1.00 20.00 C ATOM 0 H TRP A 24 -25.236 -10.299 1.607 1.00 20.00 H new ATOM 0 HA TRP A 24 -24.074 -12.631 0.375 1.00 20.00 H new ATOM 0 HB2 TRP A 24 -23.241 -10.201 0.310 1.00 20.00 H new ATOM 0 HB3 TRP A 24 -22.675 -10.460 1.949 1.00 20.00 H new ATOM 0 HD1 TRP A 24 -20.223 -11.308 2.084 1.00 20.00 H new ATOM 0 HE1 TRP A 24 -18.578 -12.549 0.519 1.00 20.00 H new ATOM 0 HE3 TRP A 24 -23.398 -12.148 -1.828 1.00 20.00 H new ATOM 0 HZ2 TRP A 24 -18.677 -13.729 -2.030 1.00 20.00 H new ATOM 0 HZ3 TRP A 24 -22.550 -13.351 -3.802 1.00 20.00 H new ATOM 0 HH2 TRP A 24 -20.220 -14.134 -3.897 1.00 20.00 H new ATOM 510 N LEU A 25 -24.338 -12.411 3.598 1.00 20.00 N ATOM 511 CA LEU A 25 -24.176 -13.137 4.849 1.00 20.00 C ATOM 512 C LEU A 25 -24.766 -14.539 4.715 1.00 20.00 C ATOM 513 O LEU A 25 -24.115 -15.530 5.049 1.00 20.00 O ATOM 514 CB LEU A 25 -24.846 -12.367 5.994 1.00 20.00 C ATOM 515 CG LEU A 25 -24.277 -12.613 7.397 1.00 20.00 C ATOM 516 CD1 LEU A 25 -24.814 -11.574 8.365 1.00 20.00 C ATOM 517 CD2 LEU A 25 -24.613 -14.012 7.894 1.00 20.00 C ATOM 0 H LEU A 25 -24.934 -11.586 3.664 1.00 20.00 H new ATOM 0 HA LEU A 25 -23.114 -13.231 5.077 1.00 20.00 H new ATOM 0 HB2 LEU A 25 -24.776 -11.301 5.778 1.00 20.00 H new ATOM 0 HB3 LEU A 25 -25.906 -12.621 6.004 1.00 20.00 H new ATOM 0 HG LEU A 25 -23.192 -12.528 7.340 1.00 20.00 H new ATOM 0 HD11 LEU A 25 -24.405 -11.757 9.359 1.00 20.00 H new ATOM 0 HD12 LEU A 25 -24.522 -10.579 8.029 1.00 20.00 H new ATOM 0 HD13 LEU A 25 -25.901 -11.640 8.403 1.00 20.00 H new ATOM 0 HD21 LEU A 25 -24.195 -14.154 8.891 1.00 20.00 H new ATOM 0 HD22 LEU A 25 -25.695 -14.134 7.933 1.00 20.00 H new ATOM 0 HD23 LEU A 25 -24.189 -14.751 7.214 1.00 20.00 H new ATOM 529 N ARG A 26 -25.987 -14.626 4.189 1.00 20.00 N ATOM 530 CA ARG A 26 -26.642 -15.919 4.017 1.00 20.00 C ATOM 531 C ARG A 26 -26.004 -16.711 2.878 1.00 20.00 C ATOM 532 O ARG A 26 -26.263 -17.901 2.711 1.00 20.00 O ATOM 533 CB ARG A 26 -28.151 -15.757 3.788 1.00 20.00 C ATOM 534 CG ARG A 26 -28.524 -14.980 2.536 1.00 20.00 C ATOM 535 CD ARG A 26 -30.035 -14.928 2.359 1.00 20.00 C ATOM 536 NE ARG A 26 -30.438 -14.116 1.213 1.00 20.00 N ATOM 537 CZ ARG A 26 -31.703 -13.951 0.827 1.00 20.00 C ATOM 538 NH1 ARG A 26 -32.682 -14.584 1.461 1.00 20.00 N ATOM 539 NH2 ARG A 26 -31.989 -13.156 -0.195 1.00 20.00 N ATOM 0 H ARG A 26 -26.537 -13.825 3.878 1.00 20.00 H new ATOM 0 HA ARG A 26 -26.503 -16.481 4.941 1.00 20.00 H new ATOM 0 HB2 ARG A 26 -28.605 -16.747 3.734 1.00 20.00 H new ATOM 0 HB3 ARG A 26 -28.584 -15.255 4.653 1.00 20.00 H new ATOM 0 HG2 ARG A 26 -28.126 -13.967 2.600 1.00 20.00 H new ATOM 0 HG3 ARG A 26 -28.067 -15.447 1.664 1.00 20.00 H new ATOM 0 HD2 ARG A 26 -30.418 -15.941 2.235 1.00 20.00 H new ATOM 0 HD3 ARG A 26 -30.490 -14.524 3.264 1.00 20.00 H new ATOM 0 HE ARG A 26 -29.708 -13.648 0.677 1.00 20.00 H new ATOM 0 HH11 ARG A 26 -32.467 -15.199 2.246 1.00 20.00 H new ATOM 0 HH12 ARG A 26 -33.649 -14.456 1.163 1.00 20.00 H new ATOM 0 HH21 ARG A 26 -31.240 -12.669 -0.688 1.00 20.00 H new ATOM 0 HH22 ARG A 26 -32.958 -13.031 -0.489 1.00 20.00 H new ATOM 553 N ALA A 27 -25.160 -16.050 2.103 1.00 20.00 N ATOM 554 CA ALA A 27 -24.396 -16.724 1.067 1.00 20.00 C ATOM 555 C ALA A 27 -23.134 -17.335 1.660 1.00 20.00 C ATOM 556 O ALA A 27 -22.646 -18.367 1.198 1.00 20.00 O ATOM 557 CB ALA A 27 -24.039 -15.760 -0.051 1.00 20.00 C ATOM 0 H ALA A 27 -24.987 -15.047 2.172 1.00 20.00 H new ATOM 0 HA ALA A 27 -25.011 -17.521 0.648 1.00 20.00 H new ATOM 0 HB1 ALA A 27 -23.467 -16.286 -0.816 1.00 20.00 H new ATOM 0 HB2 ALA A 27 -24.952 -15.360 -0.492 1.00 20.00 H new ATOM 0 HB3 ALA A 27 -23.441 -14.942 0.351 1.00 20.00 H new ATOM 563 N LYS A 28 -22.615 -16.689 2.695 1.00 20.00 N ATOM 564 CA LYS A 28 -21.387 -17.133 3.341 1.00 20.00 C ATOM 565 C LYS A 28 -21.679 -18.097 4.486 1.00 20.00 C ATOM 566 O LYS A 28 -20.784 -18.799 4.965 1.00 20.00 O ATOM 567 CB LYS A 28 -20.583 -15.931 3.841 1.00 20.00 C ATOM 568 CG LYS A 28 -20.068 -15.034 2.718 1.00 20.00 C ATOM 569 CD LYS A 28 -19.099 -15.766 1.796 1.00 20.00 C ATOM 570 CE LYS A 28 -17.830 -16.196 2.524 1.00 20.00 C ATOM 571 NZ LYS A 28 -17.037 -15.031 3.002 1.00 20.00 N ATOM 0 H LYS A 28 -23.027 -15.852 3.107 1.00 20.00 H new ATOM 0 HA LYS A 28 -20.793 -17.668 2.600 1.00 20.00 H new ATOM 0 HB2 LYS A 28 -21.207 -15.339 4.511 1.00 20.00 H new ATOM 0 HB3 LYS A 28 -19.736 -16.288 4.427 1.00 20.00 H new ATOM 0 HG2 LYS A 28 -20.911 -14.663 2.136 1.00 20.00 H new ATOM 0 HG3 LYS A 28 -19.571 -14.165 3.148 1.00 20.00 H new ATOM 0 HD2 LYS A 28 -19.591 -16.644 1.377 1.00 20.00 H new ATOM 0 HD3 LYS A 28 -18.835 -15.118 0.960 1.00 20.00 H new ATOM 0 HE2 LYS A 28 -18.095 -16.826 3.373 1.00 20.00 H new ATOM 0 HE3 LYS A 28 -17.217 -16.802 1.857 1.00 20.00 H new ATOM 0 HZ1 LYS A 28 -16.102 -15.355 3.322 1.00 20.00 H new ATOM 0 HZ2 LYS A 28 -16.920 -14.349 2.226 1.00 20.00 H new ATOM 0 HZ3 LYS A 28 -17.534 -14.574 3.793 1.00 20.00 H new ATOM 585 N VAL A 29 -22.931 -18.132 4.929 1.00 20.00 N ATOM 586 CA VAL A 29 -23.344 -19.096 5.938 1.00 20.00 C ATOM 587 C VAL A 29 -23.372 -20.495 5.326 1.00 20.00 C ATOM 588 O VAL A 29 -23.318 -21.504 6.029 1.00 20.00 O ATOM 589 CB VAL A 29 -24.728 -18.746 6.542 1.00 20.00 C ATOM 590 CG1 VAL A 29 -25.861 -19.099 5.591 1.00 20.00 C ATOM 591 CG2 VAL A 29 -24.921 -19.429 7.886 1.00 20.00 C ATOM 0 H VAL A 29 -23.671 -17.508 4.607 1.00 20.00 H new ATOM 0 HA VAL A 29 -22.619 -19.064 6.752 1.00 20.00 H new ATOM 0 HB VAL A 29 -24.753 -17.667 6.697 1.00 20.00 H new ATOM 0 HG11 VAL A 29 -26.815 -18.839 6.049 1.00 20.00 H new ATOM 0 HG12 VAL A 29 -25.742 -18.543 4.661 1.00 20.00 H new ATOM 0 HG13 VAL A 29 -25.839 -20.168 5.380 1.00 20.00 H new ATOM 0 HG21 VAL A 29 -25.899 -19.168 8.290 1.00 20.00 H new ATOM 0 HG22 VAL A 29 -24.858 -20.510 7.757 1.00 20.00 H new ATOM 0 HG23 VAL A 29 -24.144 -19.100 8.576 1.00 20.00 H new ATOM 601 N ALA A 30 -23.436 -20.534 4.003 1.00 20.00 N ATOM 602 CA ALA A 30 -23.405 -21.777 3.259 1.00 20.00 C ATOM 603 C ALA A 30 -22.464 -21.637 2.069 1.00 20.00 C ATOM 604 O ALA A 30 -22.890 -21.630 0.913 1.00 20.00 O ATOM 605 CB ALA A 30 -24.803 -22.157 2.803 1.00 20.00 C ATOM 0 H ALA A 30 -23.511 -19.702 3.418 1.00 20.00 H new ATOM 0 HA ALA A 30 -23.036 -22.573 3.905 1.00 20.00 H new ATOM 0 HB1 ALA A 30 -24.762 -23.093 2.246 1.00 20.00 H new ATOM 0 HB2 ALA A 30 -25.448 -22.280 3.673 1.00 20.00 H new ATOM 0 HB3 ALA A 30 -25.203 -21.371 2.163 1.00 20.00 H new ATOM 611 N THR A 31 -21.181 -21.508 2.365 1.00 20.00 N ATOM 612 CA THR A 31 -20.172 -21.287 1.342 1.00 20.00 C ATOM 613 C THR A 31 -19.390 -22.576 1.074 1.00 20.00 C ATOM 614 O THR A 31 -18.188 -22.542 0.791 1.00 20.00 O ATOM 615 CB THR A 31 -19.212 -20.142 1.753 1.00 20.00 C ATOM 616 OG1 THR A 31 -18.239 -19.902 0.728 1.00 20.00 O ATOM 617 CG2 THR A 31 -18.504 -20.458 3.063 1.00 20.00 C ATOM 0 H THR A 31 -20.811 -21.553 3.315 1.00 20.00 H new ATOM 0 HA THR A 31 -20.677 -20.992 0.422 1.00 20.00 H new ATOM 0 HB THR A 31 -19.816 -19.245 1.891 1.00 20.00 H new ATOM 0 HG1 THR A 31 -17.831 -20.751 0.459 1.00 20.00 H new ATOM 0 HG21 THR A 31 -17.838 -19.636 3.324 1.00 20.00 H new ATOM 0 HG22 THR A 31 -19.243 -20.591 3.853 1.00 20.00 H new ATOM 0 HG23 THR A 31 -17.923 -21.374 2.951 1.00 20.00 H new ATOM 625 N SER A 32 -20.099 -23.706 1.159 1.00 20.00 N ATOM 626 CA SER A 32 -19.518 -25.033 0.951 1.00 20.00 C ATOM 627 C SER A 32 -18.641 -25.442 2.139 1.00 20.00 C ATOM 628 O SER A 32 -18.070 -24.598 2.831 1.00 20.00 O ATOM 629 CB SER A 32 -18.722 -25.078 -0.360 1.00 20.00 C ATOM 630 OG SER A 32 -19.548 -24.727 -1.461 1.00 20.00 O ATOM 0 H SER A 32 -21.096 -23.724 1.375 1.00 20.00 H new ATOM 0 HA SER A 32 -20.335 -25.751 0.877 1.00 20.00 H new ATOM 0 HB2 SER A 32 -17.876 -24.394 -0.301 1.00 20.00 H new ATOM 0 HB3 SER A 32 -18.314 -26.078 -0.509 1.00 20.00 H new ATOM 0 HG SER A 32 -19.023 -24.760 -2.288 1.00 20.00 H new ATOM 636 N LEU A 33 -18.574 -26.742 2.396 1.00 20.00 N ATOM 637 CA LEU A 33 -17.774 -27.262 3.498 1.00 20.00 C ATOM 638 C LEU A 33 -16.630 -28.120 2.972 1.00 20.00 C ATOM 639 O LEU A 33 -15.656 -28.374 3.677 1.00 20.00 O ATOM 640 CB LEU A 33 -18.652 -28.080 4.451 1.00 20.00 C ATOM 641 CG LEU A 33 -19.763 -27.295 5.159 1.00 20.00 C ATOM 642 CD1 LEU A 33 -20.658 -28.238 5.947 1.00 20.00 C ATOM 643 CD2 LEU A 33 -19.175 -26.234 6.080 1.00 20.00 C ATOM 0 H LEU A 33 -19.064 -27.456 1.857 1.00 20.00 H new ATOM 0 HA LEU A 33 -17.351 -26.419 4.044 1.00 20.00 H new ATOM 0 HB2 LEU A 33 -19.108 -28.895 3.889 1.00 20.00 H new ATOM 0 HB3 LEU A 33 -18.012 -28.534 5.208 1.00 20.00 H new ATOM 0 HG LEU A 33 -20.363 -26.794 4.399 1.00 20.00 H new ATOM 0 HD11 LEU A 33 -21.442 -27.666 6.444 1.00 20.00 H new ATOM 0 HD12 LEU A 33 -21.111 -28.961 5.269 1.00 20.00 H new ATOM 0 HD13 LEU A 33 -20.064 -28.764 6.694 1.00 20.00 H new ATOM 0 HD21 LEU A 33 -19.982 -25.690 6.571 1.00 20.00 H new ATOM 0 HD22 LEU A 33 -18.549 -26.712 6.833 1.00 20.00 H new ATOM 0 HD23 LEU A 33 -18.572 -25.539 5.496 1.00 20.00 H new ATOM 655 N ALA A 34 -16.758 -28.564 1.731 1.00 20.00 N ATOM 656 CA ALA A 34 -15.724 -29.360 1.092 1.00 20.00 C ATOM 657 C ALA A 34 -14.732 -28.459 0.371 1.00 20.00 C ATOM 658 O ALA A 34 -14.936 -27.246 0.283 1.00 20.00 O ATOM 659 CB ALA A 34 -16.349 -30.352 0.124 1.00 20.00 C ATOM 0 H ALA A 34 -17.573 -28.385 1.144 1.00 20.00 H new ATOM 0 HA ALA A 34 -15.186 -29.917 1.859 1.00 20.00 H new ATOM 0 HB1 ALA A 34 -15.564 -30.943 -0.349 1.00 20.00 H new ATOM 0 HB2 ALA A 34 -17.024 -31.014 0.667 1.00 20.00 H new ATOM 0 HB3 ALA A 34 -16.907 -29.812 -0.641 1.00 20.00 H new ATOM 665 N ASP A 35 -13.658 -29.046 -0.138 1.00 20.00 N ATOM 666 CA ASP A 35 -12.630 -28.281 -0.833 1.00 20.00 C ATOM 667 C ASP A 35 -12.484 -28.773 -2.270 1.00 20.00 C ATOM 668 O ASP A 35 -11.722 -29.704 -2.536 1.00 20.00 O ATOM 669 CB ASP A 35 -11.278 -28.400 -0.117 1.00 20.00 C ATOM 670 CG ASP A 35 -11.344 -28.035 1.353 1.00 20.00 C ATOM 671 OD1 ASP A 35 -11.245 -26.833 1.684 1.00 20.00 O ATOM 672 OD2 ASP A 35 -11.485 -28.955 2.188 1.00 20.00 O ATOM 0 H ASP A 35 -13.475 -30.048 -0.083 1.00 20.00 H new ATOM 0 HA ASP A 35 -12.937 -27.235 -0.835 1.00 20.00 H new ATOM 0 HB2 ASP A 35 -10.912 -29.422 -0.214 1.00 20.00 H new ATOM 0 HB3 ASP A 35 -10.554 -27.753 -0.613 1.00 20.00 H new ATOM 677 N PRO A 36 -13.230 -28.178 -3.213 1.00 20.00 N ATOM 678 CA PRO A 36 -13.136 -28.533 -4.634 1.00 20.00 C ATOM 679 C PRO A 36 -11.893 -27.942 -5.295 1.00 20.00 C ATOM 680 O PRO A 36 -11.572 -28.252 -6.447 1.00 20.00 O ATOM 681 CB PRO A 36 -14.404 -27.922 -5.232 1.00 20.00 C ATOM 682 CG PRO A 36 -14.712 -26.755 -4.355 1.00 20.00 C ATOM 683 CD PRO A 36 -14.244 -27.129 -2.972 1.00 20.00 C ATOM 0 HA PRO A 36 -13.053 -29.609 -4.785 1.00 20.00 H new ATOM 0 HB2 PRO A 36 -14.245 -27.610 -6.264 1.00 20.00 H new ATOM 0 HB3 PRO A 36 -15.224 -28.640 -5.239 1.00 20.00 H new ATOM 0 HG2 PRO A 36 -14.203 -25.858 -4.708 1.00 20.00 H new ATOM 0 HG3 PRO A 36 -15.780 -26.537 -4.358 1.00 20.00 H new ATOM 0 HD2 PRO A 36 -13.817 -26.273 -2.449 1.00 20.00 H new ATOM 0 HD3 PRO A 36 -15.065 -27.500 -2.359 1.00 20.00 H new ATOM 691 N ARG A 37 -11.199 -27.088 -4.558 1.00 20.00 N ATOM 692 CA ARG A 37 -9.999 -26.436 -5.048 1.00 20.00 C ATOM 693 C ARG A 37 -8.880 -26.567 -4.022 1.00 20.00 C ATOM 694 O ARG A 37 -9.148 -26.641 -2.821 1.00 20.00 O ATOM 695 CB ARG A 37 -10.273 -24.955 -5.323 1.00 20.00 C ATOM 696 CG ARG A 37 -11.215 -24.707 -6.488 1.00 20.00 C ATOM 697 CD ARG A 37 -11.491 -23.223 -6.667 1.00 20.00 C ATOM 698 NE ARG A 37 -10.261 -22.445 -6.806 1.00 20.00 N ATOM 699 CZ ARG A 37 -10.224 -21.115 -6.898 1.00 20.00 C ATOM 700 NH1 ARG A 37 -11.350 -20.412 -6.895 1.00 20.00 N ATOM 701 NH2 ARG A 37 -9.060 -20.490 -6.994 1.00 20.00 N ATOM 0 H ARG A 37 -11.453 -26.829 -3.605 1.00 20.00 H new ATOM 0 HA ARG A 37 -9.695 -26.919 -5.977 1.00 20.00 H new ATOM 0 HB2 ARG A 37 -10.694 -24.501 -4.426 1.00 20.00 H new ATOM 0 HB3 ARG A 37 -9.327 -24.452 -5.521 1.00 20.00 H new ATOM 0 HG2 ARG A 37 -10.781 -25.111 -7.402 1.00 20.00 H new ATOM 0 HG3 ARG A 37 -12.153 -25.236 -6.319 1.00 20.00 H new ATOM 0 HD2 ARG A 37 -12.114 -23.075 -7.549 1.00 20.00 H new ATOM 0 HD3 ARG A 37 -12.057 -22.855 -5.811 1.00 20.00 H new ATOM 0 HE ARG A 37 -9.376 -22.951 -6.834 1.00 20.00 H new ATOM 0 HH11 ARG A 37 -12.249 -20.889 -6.822 1.00 20.00 H new ATOM 0 HH12 ARG A 37 -11.316 -19.395 -6.966 1.00 20.00 H new ATOM 0 HH21 ARG A 37 -8.192 -21.026 -6.998 1.00 20.00 H new ATOM 0 HH22 ARG A 37 -9.032 -19.473 -7.064 1.00 20.00 H new ATOM 715 N PRO A 38 -7.613 -26.612 -4.472 1.00 20.00 N ATOM 716 CA PRO A 38 -6.456 -26.656 -3.579 1.00 20.00 C ATOM 717 C PRO A 38 -6.184 -25.291 -2.960 1.00 20.00 C ATOM 718 O PRO A 38 -5.125 -24.689 -3.174 1.00 20.00 O ATOM 719 CB PRO A 38 -5.289 -27.064 -4.491 1.00 20.00 C ATOM 720 CG PRO A 38 -5.893 -27.368 -5.825 1.00 20.00 C ATOM 721 CD PRO A 38 -7.200 -26.630 -5.879 1.00 20.00 C ATOM 0 HA PRO A 38 -6.609 -27.344 -2.748 1.00 20.00 H new ATOM 0 HB2 PRO A 38 -4.556 -26.261 -4.569 1.00 20.00 H new ATOM 0 HB3 PRO A 38 -4.768 -27.934 -4.092 1.00 20.00 H new ATOM 0 HG2 PRO A 38 -5.233 -27.048 -6.632 1.00 20.00 H new ATOM 0 HG3 PRO A 38 -6.048 -28.440 -5.946 1.00 20.00 H new ATOM 0 HD2 PRO A 38 -7.081 -25.623 -6.280 1.00 20.00 H new ATOM 0 HD3 PRO A 38 -7.928 -27.140 -6.509 1.00 20.00 H new ATOM 729 N ALA A 39 -7.154 -24.808 -2.207 1.00 20.00 N ATOM 730 CA ALA A 39 -7.084 -23.492 -1.605 1.00 20.00 C ATOM 731 C ALA A 39 -6.714 -23.587 -0.134 1.00 20.00 C ATOM 732 O ALA A 39 -7.267 -24.408 0.605 1.00 20.00 O ATOM 733 CB ALA A 39 -8.412 -22.771 -1.770 1.00 20.00 C ATOM 0 H ALA A 39 -8.012 -25.317 -1.996 1.00 20.00 H new ATOM 0 HA ALA A 39 -6.306 -22.923 -2.114 1.00 20.00 H new ATOM 0 HB1 ALA A 39 -8.349 -21.783 -1.314 1.00 20.00 H new ATOM 0 HB2 ALA A 39 -8.640 -22.667 -2.831 1.00 20.00 H new ATOM 0 HB3 ALA A 39 -9.201 -23.345 -1.284 1.00 20.00 H new ATOM 739 N ILE A 40 -5.779 -22.743 0.277 1.00 20.00 N ATOM 740 CA ILE A 40 -5.342 -22.689 1.662 1.00 20.00 C ATOM 741 C ILE A 40 -6.472 -22.163 2.533 1.00 20.00 C ATOM 742 O ILE A 40 -6.933 -21.035 2.344 1.00 20.00 O ATOM 743 CB ILE A 40 -4.099 -21.786 1.827 1.00 20.00 C ATOM 744 CG1 ILE A 40 -2.936 -22.319 0.989 1.00 20.00 C ATOM 745 CG2 ILE A 40 -3.698 -21.684 3.293 1.00 20.00 C ATOM 746 CD1 ILE A 40 -1.709 -21.438 1.027 1.00 20.00 C ATOM 0 H ILE A 40 -5.305 -22.081 -0.337 1.00 20.00 H new ATOM 0 HA ILE A 40 -5.071 -23.699 1.971 1.00 20.00 H new ATOM 0 HB ILE A 40 -4.352 -20.787 1.472 1.00 20.00 H new ATOM 0 HG12 ILE A 40 -2.669 -23.314 1.344 1.00 20.00 H new ATOM 0 HG13 ILE A 40 -3.264 -22.427 -0.045 1.00 20.00 H new ATOM 0 HG21 ILE A 40 -2.821 -21.044 3.387 1.00 20.00 H new ATOM 0 HG22 ILE A 40 -4.521 -21.258 3.867 1.00 20.00 H new ATOM 0 HG23 ILE A 40 -3.465 -22.677 3.676 1.00 20.00 H new ATOM 0 HD11 ILE A 40 -0.926 -21.879 0.410 1.00 20.00 H new ATOM 0 HD12 ILE A 40 -1.959 -20.449 0.644 1.00 20.00 H new ATOM 0 HD13 ILE A 40 -1.356 -21.350 2.054 1.00 20.00 H new ATOM 758 N PRO A 41 -6.932 -22.973 3.496 1.00 20.00 N ATOM 759 CA PRO A 41 -8.092 -22.635 4.316 1.00 20.00 C ATOM 760 C PRO A 41 -7.882 -21.357 5.121 1.00 20.00 C ATOM 761 O PRO A 41 -6.973 -21.271 5.950 1.00 20.00 O ATOM 762 CB PRO A 41 -8.249 -23.840 5.255 1.00 20.00 C ATOM 763 CG PRO A 41 -6.933 -24.541 5.225 1.00 20.00 C ATOM 764 CD PRO A 41 -6.347 -24.274 3.868 1.00 20.00 C ATOM 0 HA PRO A 41 -8.973 -22.446 3.703 1.00 20.00 H new ATOM 0 HB2 PRO A 41 -8.500 -23.520 6.266 1.00 20.00 H new ATOM 0 HB3 PRO A 41 -9.052 -24.497 4.920 1.00 20.00 H new ATOM 0 HG2 PRO A 41 -6.277 -24.170 6.012 1.00 20.00 H new ATOM 0 HG3 PRO A 41 -7.058 -25.611 5.391 1.00 20.00 H new ATOM 0 HD2 PRO A 41 -5.258 -24.231 3.901 1.00 20.00 H new ATOM 0 HD3 PRO A 41 -6.613 -25.054 3.154 1.00 20.00 H new ATOM 772 N HIS A 42 -8.725 -20.363 4.870 1.00 20.00 N ATOM 773 CA HIS A 42 -8.694 -19.129 5.640 1.00 20.00 C ATOM 774 C HIS A 42 -9.245 -19.397 7.025 1.00 20.00 C ATOM 775 O HIS A 42 -8.869 -18.741 7.997 1.00 20.00 O ATOM 776 CB HIS A 42 -9.513 -18.024 4.962 1.00 20.00 C ATOM 777 CG HIS A 42 -9.013 -17.635 3.605 1.00 20.00 C ATOM 778 ND1 HIS A 42 -9.834 -17.529 2.503 1.00 20.00 N ATOM 779 CD2 HIS A 42 -7.772 -17.306 3.178 1.00 20.00 C ATOM 780 CE1 HIS A 42 -9.120 -17.152 1.460 1.00 20.00 C ATOM 781 NE2 HIS A 42 -7.867 -17.009 1.843 1.00 20.00 N ATOM 0 H HIS A 42 -9.437 -20.388 4.140 1.00 20.00 H new ATOM 0 HA HIS A 42 -7.661 -18.787 5.704 1.00 20.00 H new ATOM 0 HB2 HIS A 42 -10.548 -18.356 4.874 1.00 20.00 H new ATOM 0 HB3 HIS A 42 -9.514 -17.142 5.603 1.00 20.00 H new ATOM 0 HD2 HIS A 42 -6.874 -17.282 3.777 1.00 20.00 H new ATOM 0 HE1 HIS A 42 -9.498 -16.988 0.462 1.00 20.00 H new ATOM 0 HE2 HIS A 42 -7.093 -16.723 1.243 1.00 20.00 H new ATOM 790 N ASP A 43 -10.122 -20.396 7.102 1.00 20.00 N ATOM 791 CA ASP A 43 -10.725 -20.804 8.365 1.00 20.00 C ATOM 792 C ASP A 43 -9.654 -21.170 9.378 1.00 20.00 C ATOM 793 O ASP A 43 -9.822 -20.944 10.569 1.00 20.00 O ATOM 794 CB ASP A 43 -11.662 -21.999 8.172 1.00 20.00 C ATOM 795 CG ASP A 43 -12.865 -21.678 7.312 1.00 20.00 C ATOM 796 OD1 ASP A 43 -13.875 -21.185 7.855 1.00 20.00 O ATOM 797 OD2 ASP A 43 -12.809 -21.926 6.090 1.00 20.00 O ATOM 0 H ASP A 43 -10.431 -20.940 6.297 1.00 20.00 H new ATOM 0 HA ASP A 43 -11.303 -19.958 8.736 1.00 20.00 H new ATOM 0 HB2 ASP A 43 -11.106 -22.819 7.717 1.00 20.00 H new ATOM 0 HB3 ASP A 43 -12.003 -22.347 9.147 1.00 20.00 H new ATOM 802 N GLU A 44 -8.548 -21.716 8.884 1.00 20.00 N ATOM 803 CA GLU A 44 -7.441 -22.144 9.732 1.00 20.00 C ATOM 804 C GLU A 44 -6.900 -20.975 10.554 1.00 20.00 C ATOM 805 O GLU A 44 -6.618 -21.114 11.743 1.00 20.00 O ATOM 806 CB GLU A 44 -6.331 -22.749 8.866 1.00 20.00 C ATOM 807 CG GLU A 44 -5.110 -23.197 9.649 1.00 20.00 C ATOM 808 CD GLU A 44 -4.054 -23.820 8.764 1.00 20.00 C ATOM 809 OE1 GLU A 44 -3.247 -23.071 8.169 1.00 20.00 O ATOM 810 OE2 GLU A 44 -4.020 -25.063 8.659 1.00 20.00 O ATOM 0 H GLU A 44 -8.394 -21.874 7.888 1.00 20.00 H new ATOM 0 HA GLU A 44 -7.806 -22.901 10.426 1.00 20.00 H new ATOM 0 HB2 GLU A 44 -6.734 -23.603 8.322 1.00 20.00 H new ATOM 0 HB3 GLU A 44 -6.023 -22.014 8.123 1.00 20.00 H new ATOM 0 HG2 GLU A 44 -4.683 -22.341 10.172 1.00 20.00 H new ATOM 0 HG3 GLU A 44 -5.413 -23.916 10.410 1.00 20.00 H new ATOM 817 N VAL A 45 -6.786 -19.821 9.916 1.00 20.00 N ATOM 818 CA VAL A 45 -6.312 -18.620 10.588 1.00 20.00 C ATOM 819 C VAL A 45 -7.355 -18.125 11.584 1.00 20.00 C ATOM 820 O VAL A 45 -7.033 -17.700 12.695 1.00 20.00 O ATOM 821 CB VAL A 45 -6.010 -17.499 9.570 1.00 20.00 C ATOM 822 CG1 VAL A 45 -5.531 -16.236 10.270 1.00 20.00 C ATOM 823 CG2 VAL A 45 -4.983 -17.968 8.551 1.00 20.00 C ATOM 0 H VAL A 45 -7.016 -19.690 8.931 1.00 20.00 H new ATOM 0 HA VAL A 45 -5.393 -18.875 11.116 1.00 20.00 H new ATOM 0 HB VAL A 45 -6.936 -17.261 9.046 1.00 20.00 H new ATOM 0 HG11 VAL A 45 -5.326 -15.464 9.528 1.00 20.00 H new ATOM 0 HG12 VAL A 45 -6.303 -15.885 10.955 1.00 20.00 H new ATOM 0 HG13 VAL A 45 -4.621 -16.453 10.829 1.00 20.00 H new ATOM 0 HG21 VAL A 45 -4.782 -17.166 7.841 1.00 20.00 H new ATOM 0 HG22 VAL A 45 -4.060 -18.239 9.063 1.00 20.00 H new ATOM 0 HG23 VAL A 45 -5.370 -18.836 8.017 1.00 20.00 H new ATOM 833 N GLU A 46 -8.609 -18.219 11.177 1.00 20.00 N ATOM 834 CA GLU A 46 -9.721 -17.723 11.975 1.00 20.00 C ATOM 835 C GLU A 46 -10.008 -18.643 13.160 1.00 20.00 C ATOM 836 O GLU A 46 -10.659 -18.235 14.117 1.00 20.00 O ATOM 837 CB GLU A 46 -10.972 -17.574 11.106 1.00 20.00 C ATOM 838 CG GLU A 46 -10.694 -16.902 9.768 1.00 20.00 C ATOM 839 CD GLU A 46 -11.921 -16.795 8.887 1.00 20.00 C ATOM 840 OE1 GLU A 46 -12.637 -17.805 8.729 1.00 20.00 O ATOM 841 OE2 GLU A 46 -12.159 -15.699 8.326 1.00 20.00 O ATOM 0 H GLU A 46 -8.886 -18.638 10.289 1.00 20.00 H new ATOM 0 HA GLU A 46 -9.442 -16.745 12.368 1.00 20.00 H new ATOM 0 HB2 GLU A 46 -11.403 -18.559 10.928 1.00 20.00 H new ATOM 0 HB3 GLU A 46 -11.717 -16.993 11.649 1.00 20.00 H new ATOM 0 HG2 GLU A 46 -10.295 -15.904 9.946 1.00 20.00 H new ATOM 0 HG3 GLU A 46 -9.924 -17.464 9.240 1.00 20.00 H new ATOM 848 N ARG A 47 -9.528 -19.883 13.091 1.00 20.00 N ATOM 849 CA ARG A 47 -9.714 -20.846 14.178 1.00 20.00 C ATOM 850 C ARG A 47 -9.206 -20.280 15.497 1.00 20.00 C ATOM 851 O ARG A 47 -9.873 -20.387 16.524 1.00 20.00 O ATOM 852 CB ARG A 47 -8.990 -22.164 13.883 1.00 20.00 C ATOM 853 CG ARG A 47 -9.558 -22.940 12.706 1.00 20.00 C ATOM 854 CD ARG A 47 -11.020 -23.302 12.918 1.00 20.00 C ATOM 855 NE ARG A 47 -11.210 -24.170 14.077 1.00 20.00 N ATOM 856 CZ ARG A 47 -12.395 -24.617 14.487 1.00 20.00 C ATOM 857 NH1 ARG A 47 -13.501 -24.235 13.859 1.00 20.00 N ATOM 858 NH2 ARG A 47 -12.473 -25.433 15.533 1.00 20.00 N ATOM 0 H ARG A 47 -9.006 -20.246 12.293 1.00 20.00 H new ATOM 0 HA ARG A 47 -10.784 -21.040 14.257 1.00 20.00 H new ATOM 0 HB2 ARG A 47 -7.938 -21.952 13.690 1.00 20.00 H new ATOM 0 HB3 ARG A 47 -9.030 -22.794 14.772 1.00 20.00 H new ATOM 0 HG2 ARG A 47 -9.459 -22.346 11.798 1.00 20.00 H new ATOM 0 HG3 ARG A 47 -8.977 -23.850 12.556 1.00 20.00 H new ATOM 0 HD2 ARG A 47 -11.603 -22.390 13.049 1.00 20.00 H new ATOM 0 HD3 ARG A 47 -11.402 -23.800 12.027 1.00 20.00 H new ATOM 0 HE ARG A 47 -10.384 -24.451 14.605 1.00 20.00 H new ATOM 0 HH11 ARG A 47 -13.442 -23.600 13.063 1.00 20.00 H new ATOM 0 HH12 ARG A 47 -14.409 -24.577 14.172 1.00 20.00 H new ATOM 0 HH21 ARG A 47 -11.624 -25.717 16.022 1.00 20.00 H new ATOM 0 HH22 ARG A 47 -13.381 -25.775 15.846 1.00 20.00 H new ATOM 872 N ARG A 48 -8.033 -19.659 15.451 1.00 20.00 N ATOM 873 CA ARG A 48 -7.415 -19.094 16.644 1.00 20.00 C ATOM 874 C ARG A 48 -8.217 -17.900 17.153 1.00 20.00 C ATOM 875 O ARG A 48 -8.187 -17.579 18.339 1.00 20.00 O ATOM 876 CB ARG A 48 -5.976 -18.674 16.340 1.00 20.00 C ATOM 877 CG ARG A 48 -5.103 -19.819 15.846 1.00 20.00 C ATOM 878 CD ARG A 48 -3.707 -19.345 15.469 1.00 20.00 C ATOM 879 NE ARG A 48 -3.732 -18.361 14.386 1.00 20.00 N ATOM 880 CZ ARG A 48 -2.956 -18.419 13.302 1.00 20.00 C ATOM 881 NH1 ARG A 48 -2.121 -19.437 13.127 1.00 20.00 N ATOM 882 NH2 ARG A 48 -3.020 -17.458 12.390 1.00 20.00 N ATOM 0 H ARG A 48 -7.489 -19.534 14.597 1.00 20.00 H new ATOM 0 HA ARG A 48 -7.405 -19.857 17.423 1.00 20.00 H new ATOM 0 HB2 ARG A 48 -5.987 -17.885 15.588 1.00 20.00 H new ATOM 0 HB3 ARG A 48 -5.531 -18.250 17.240 1.00 20.00 H new ATOM 0 HG2 ARG A 48 -5.031 -20.581 16.622 1.00 20.00 H new ATOM 0 HG3 ARG A 48 -5.573 -20.288 14.981 1.00 20.00 H new ATOM 0 HD2 ARG A 48 -3.225 -18.908 16.344 1.00 20.00 H new ATOM 0 HD3 ARG A 48 -3.104 -20.201 15.166 1.00 20.00 H new ATOM 0 HE ARG A 48 -4.384 -17.581 14.465 1.00 20.00 H new ATOM 0 HH11 ARG A 48 -2.070 -20.180 13.823 1.00 20.00 H new ATOM 0 HH12 ARG A 48 -1.531 -19.475 12.296 1.00 20.00 H new ATOM 0 HH21 ARG A 48 -3.662 -16.676 12.518 1.00 20.00 H new ATOM 0 HH22 ARG A 48 -2.427 -17.501 11.561 1.00 20.00 H new ATOM 896 N MET A 49 -8.948 -17.263 16.250 1.00 20.00 N ATOM 897 CA MET A 49 -9.792 -16.127 16.605 1.00 20.00 C ATOM 898 C MET A 49 -11.109 -16.633 17.178 1.00 20.00 C ATOM 899 O MET A 49 -11.602 -16.133 18.190 1.00 20.00 O ATOM 900 CB MET A 49 -10.058 -15.252 15.375 1.00 20.00 C ATOM 901 CG MET A 49 -8.798 -14.717 14.716 1.00 20.00 C ATOM 902 SD MET A 49 -9.145 -13.780 13.215 1.00 20.00 S ATOM 903 CE MET A 49 -7.481 -13.451 12.648 1.00 20.00 C ATOM 0 H MET A 49 -8.975 -17.513 15.262 1.00 20.00 H new ATOM 0 HA MET A 49 -9.278 -15.524 17.353 1.00 20.00 H new ATOM 0 HB2 MET A 49 -10.621 -15.832 14.643 1.00 20.00 H new ATOM 0 HB3 MET A 49 -10.688 -14.412 15.668 1.00 20.00 H new ATOM 0 HG2 MET A 49 -8.265 -14.080 15.422 1.00 20.00 H new ATOM 0 HG3 MET A 49 -8.137 -15.549 14.476 1.00 20.00 H new ATOM 0 HE1 MET A 49 -7.515 -13.035 11.641 1.00 20.00 H new ATOM 0 HE2 MET A 49 -7.002 -12.738 13.319 1.00 20.00 H new ATOM 0 HE3 MET A 49 -6.910 -14.379 12.638 1.00 20.00 H new ATOM 913 N ALA A 50 -11.656 -17.653 16.526 1.00 20.00 N ATOM 914 CA ALA A 50 -12.902 -18.276 16.946 1.00 20.00 C ATOM 915 C ALA A 50 -12.779 -18.873 18.344 1.00 20.00 C ATOM 916 O ALA A 50 -13.770 -19.016 19.056 1.00 20.00 O ATOM 917 CB ALA A 50 -13.304 -19.344 15.945 1.00 20.00 C ATOM 0 H ALA A 50 -11.246 -18.070 15.690 1.00 20.00 H new ATOM 0 HA ALA A 50 -13.675 -17.509 16.982 1.00 20.00 H new ATOM 0 HB1 ALA A 50 -14.238 -19.808 16.263 1.00 20.00 H new ATOM 0 HB2 ALA A 50 -13.441 -18.890 14.964 1.00 20.00 H new ATOM 0 HB3 ALA A 50 -12.523 -20.102 15.888 1.00 20.00 H new ATOM 923 N GLU A 51 -11.556 -19.211 18.730 1.00 20.00 N ATOM 924 CA GLU A 51 -11.286 -19.734 20.064 1.00 20.00 C ATOM 925 C GLU A 51 -11.755 -18.766 21.145 1.00 20.00 C ATOM 926 O GLU A 51 -12.181 -19.179 22.218 1.00 20.00 O ATOM 927 CB GLU A 51 -9.792 -20.011 20.234 1.00 20.00 C ATOM 928 CG GLU A 51 -9.315 -21.261 19.517 1.00 20.00 C ATOM 929 CD GLU A 51 -9.985 -22.516 20.035 1.00 20.00 C ATOM 930 OE1 GLU A 51 -9.742 -22.888 21.205 1.00 20.00 O ATOM 931 OE2 GLU A 51 -10.758 -23.139 19.280 1.00 20.00 O ATOM 0 H GLU A 51 -10.731 -19.132 18.135 1.00 20.00 H new ATOM 0 HA GLU A 51 -11.842 -20.665 20.173 1.00 20.00 H new ATOM 0 HB2 GLU A 51 -9.229 -19.154 19.864 1.00 20.00 H new ATOM 0 HB3 GLU A 51 -9.568 -20.105 21.297 1.00 20.00 H new ATOM 0 HG2 GLU A 51 -9.512 -21.162 18.450 1.00 20.00 H new ATOM 0 HG3 GLU A 51 -8.235 -21.354 19.634 1.00 20.00 H new ATOM 938 N ARG A 52 -11.659 -17.476 20.866 1.00 20.00 N ATOM 939 CA ARG A 52 -12.089 -16.467 21.820 1.00 20.00 C ATOM 940 C ARG A 52 -13.544 -16.064 21.597 1.00 20.00 C ATOM 941 O ARG A 52 -14.308 -15.918 22.548 1.00 20.00 O ATOM 942 CB ARG A 52 -11.181 -15.236 21.753 1.00 20.00 C ATOM 943 CG ARG A 52 -9.743 -15.495 22.195 1.00 20.00 C ATOM 944 CD ARG A 52 -9.656 -15.918 23.660 1.00 20.00 C ATOM 945 NE ARG A 52 -10.146 -17.280 23.884 1.00 20.00 N ATOM 946 CZ ARG A 52 -10.868 -17.652 24.943 1.00 20.00 C ATOM 947 NH1 ARG A 52 -11.187 -16.767 25.878 1.00 20.00 N ATOM 948 NH2 ARG A 52 -11.278 -18.908 25.061 1.00 20.00 N ATOM 0 H ARG A 52 -11.289 -17.104 19.991 1.00 20.00 H new ATOM 0 HA ARG A 52 -12.013 -16.907 22.815 1.00 20.00 H new ATOM 0 HB2 ARG A 52 -11.173 -14.860 20.730 1.00 20.00 H new ATOM 0 HB3 ARG A 52 -11.606 -14.451 22.378 1.00 20.00 H new ATOM 0 HG2 ARG A 52 -9.307 -16.272 21.568 1.00 20.00 H new ATOM 0 HG3 ARG A 52 -9.150 -14.593 22.043 1.00 20.00 H new ATOM 0 HD2 ARG A 52 -8.620 -15.849 23.993 1.00 20.00 H new ATOM 0 HD3 ARG A 52 -10.234 -15.223 24.270 1.00 20.00 H new ATOM 0 HE ARG A 52 -9.921 -17.989 23.186 1.00 20.00 H new ATOM 0 HH11 ARG A 52 -10.880 -15.798 25.789 1.00 20.00 H new ATOM 0 HH12 ARG A 52 -11.739 -17.055 26.686 1.00 20.00 H new ATOM 0 HH21 ARG A 52 -11.042 -19.591 24.342 1.00 20.00 H new ATOM 0 HH22 ARG A 52 -11.830 -19.190 25.871 1.00 20.00 H new ATOM 962 N PHE A 53 -13.928 -15.895 20.339 1.00 20.00 N ATOM 963 CA PHE A 53 -15.244 -15.353 20.015 1.00 20.00 C ATOM 964 C PHE A 53 -16.311 -16.443 19.922 1.00 20.00 C ATOM 965 O PHE A 53 -17.364 -16.357 20.564 1.00 20.00 O ATOM 966 CB PHE A 53 -15.178 -14.572 18.702 1.00 20.00 C ATOM 967 CG PHE A 53 -14.119 -13.503 18.690 1.00 20.00 C ATOM 968 CD1 PHE A 53 -14.053 -12.559 19.704 1.00 20.00 C ATOM 969 CD2 PHE A 53 -13.189 -13.442 17.663 1.00 20.00 C ATOM 970 CE1 PHE A 53 -13.079 -11.578 19.694 1.00 20.00 C ATOM 971 CE2 PHE A 53 -12.214 -12.463 17.649 1.00 20.00 C ATOM 972 CZ PHE A 53 -12.158 -11.531 18.666 1.00 20.00 C ATOM 0 H PHE A 53 -13.352 -16.123 19.529 1.00 20.00 H new ATOM 0 HA PHE A 53 -15.531 -14.685 20.827 1.00 20.00 H new ATOM 0 HB2 PHE A 53 -14.990 -15.268 17.884 1.00 20.00 H new ATOM 0 HB3 PHE A 53 -16.148 -14.113 18.513 1.00 20.00 H new ATOM 0 HD1 PHE A 53 -14.771 -12.591 20.510 1.00 20.00 H new ATOM 0 HD2 PHE A 53 -13.227 -14.168 16.865 1.00 20.00 H new ATOM 0 HE1 PHE A 53 -13.038 -10.849 20.490 1.00 20.00 H new ATOM 0 HE2 PHE A 53 -11.496 -12.427 16.843 1.00 20.00 H new ATOM 0 HZ PHE A 53 -11.395 -10.766 18.658 1.00 20.00 H new ATOM 982 N ALA A 54 -16.031 -17.478 19.143 1.00 20.00 N ATOM 983 CA ALA A 54 -17.013 -18.518 18.873 1.00 20.00 C ATOM 984 C ALA A 54 -17.115 -19.505 20.028 1.00 20.00 C ATOM 985 O ALA A 54 -18.051 -20.299 20.097 1.00 20.00 O ATOM 986 CB ALA A 54 -16.672 -19.245 17.585 1.00 20.00 C ATOM 0 H ALA A 54 -15.130 -17.620 18.686 1.00 20.00 H new ATOM 0 HA ALA A 54 -17.984 -18.036 18.762 1.00 20.00 H new ATOM 0 HB1 ALA A 54 -17.415 -20.020 17.397 1.00 20.00 H new ATOM 0 HB2 ALA A 54 -16.669 -18.536 16.757 1.00 20.00 H new ATOM 0 HB3 ALA A 54 -15.687 -19.702 17.675 1.00 20.00 H new ATOM 992 N LYS A 55 -16.145 -19.471 20.923 1.00 20.00 N ATOM 993 CA LYS A 55 -16.189 -20.307 22.111 1.00 20.00 C ATOM 994 C LYS A 55 -16.879 -19.569 23.259 1.00 20.00 C ATOM 995 O LYS A 55 -17.302 -20.182 24.240 1.00 20.00 O ATOM 996 CB LYS A 55 -14.775 -20.739 22.514 1.00 20.00 C ATOM 997 CG LYS A 55 -14.693 -21.665 23.730 1.00 20.00 C ATOM 998 CD LYS A 55 -15.039 -23.118 23.405 1.00 20.00 C ATOM 999 CE LYS A 55 -16.543 -23.382 23.367 1.00 20.00 C ATOM 1000 NZ LYS A 55 -17.215 -23.007 24.639 1.00 20.00 N ATOM 0 H LYS A 55 -15.319 -18.876 20.852 1.00 20.00 H new ATOM 0 HA LYS A 55 -16.768 -21.202 21.885 1.00 20.00 H new ATOM 0 HB2 LYS A 55 -14.311 -21.240 21.665 1.00 20.00 H new ATOM 0 HB3 LYS A 55 -14.185 -19.846 22.718 1.00 20.00 H new ATOM 0 HG2 LYS A 55 -13.686 -21.622 24.144 1.00 20.00 H new ATOM 0 HG3 LYS A 55 -15.371 -21.301 24.502 1.00 20.00 H new ATOM 0 HD2 LYS A 55 -14.606 -23.381 22.440 1.00 20.00 H new ATOM 0 HD3 LYS A 55 -14.581 -23.770 24.149 1.00 20.00 H new ATOM 0 HE2 LYS A 55 -16.987 -22.821 22.545 1.00 20.00 H new ATOM 0 HE3 LYS A 55 -16.719 -24.438 23.164 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 -18.138 -23.483 24.698 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 -16.623 -23.298 25.443 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 -17.355 -21.977 24.667 1.00 20.00 H new ATOM 1014 N MET A 56 -17.002 -18.254 23.125 1.00 20.00 N ATOM 1015 CA MET A 56 -17.632 -17.438 24.157 1.00 20.00 C ATOM 1016 C MET A 56 -19.138 -17.336 23.925 1.00 20.00 C ATOM 1017 O MET A 56 -19.932 -17.766 24.762 1.00 20.00 O ATOM 1018 CB MET A 56 -17.004 -16.041 24.207 1.00 20.00 C ATOM 1019 CG MET A 56 -17.657 -15.113 25.222 1.00 20.00 C ATOM 1020 SD MET A 56 -17.530 -15.726 26.913 1.00 20.00 S ATOM 1021 CE MET A 56 -18.467 -14.477 27.792 1.00 20.00 C ATOM 0 H MET A 56 -16.675 -17.730 22.313 1.00 20.00 H new ATOM 0 HA MET A 56 -17.464 -17.925 25.118 1.00 20.00 H new ATOM 0 HB2 MET A 56 -15.944 -16.137 24.444 1.00 20.00 H new ATOM 0 HB3 MET A 56 -17.069 -15.587 23.218 1.00 20.00 H new ATOM 0 HG2 MET A 56 -17.191 -14.130 25.161 1.00 20.00 H new ATOM 0 HG3 MET A 56 -18.708 -14.984 24.965 1.00 20.00 H new ATOM 0 HE1 MET A 56 -18.482 -14.715 28.856 1.00 20.00 H new ATOM 0 HE2 MET A 56 -18.002 -13.502 27.644 1.00 20.00 H new ATOM 0 HE3 MET A 56 -19.488 -14.453 27.411 1.00 20.00 H new ATOM 1031 N ARG A 57 -19.533 -16.768 22.792 1.00 20.00 N ATOM 1032 CA ARG A 57 -20.948 -16.628 22.478 1.00 20.00 C ATOM 1033 C ARG A 57 -21.358 -17.629 21.404 1.00 20.00 C ATOM 1034 O ARG A 57 -22.454 -18.187 21.453 1.00 20.00 O ATOM 1035 CB ARG A 57 -21.276 -15.201 22.025 1.00 20.00 C ATOM 1036 CG ARG A 57 -22.753 -14.995 21.719 1.00 20.00 C ATOM 1037 CD ARG A 57 -23.057 -13.570 21.282 1.00 20.00 C ATOM 1038 NE ARG A 57 -24.451 -13.420 20.862 1.00 20.00 N ATOM 1039 CZ ARG A 57 -24.889 -12.455 20.053 1.00 20.00 C ATOM 1040 NH1 ARG A 57 -24.058 -11.512 19.625 1.00 20.00 N ATOM 1041 NH2 ARG A 57 -26.165 -12.420 19.694 1.00 20.00 N ATOM 0 H ARG A 57 -18.900 -16.400 22.082 1.00 20.00 H new ATOM 0 HA ARG A 57 -21.514 -16.834 23.386 1.00 20.00 H new ATOM 0 HB2 ARG A 57 -20.971 -14.501 22.803 1.00 20.00 H new ATOM 0 HB3 ARG A 57 -20.691 -14.965 21.136 1.00 20.00 H new ATOM 0 HG2 ARG A 57 -23.059 -15.687 20.934 1.00 20.00 H new ATOM 0 HG3 ARG A 57 -23.342 -15.235 22.604 1.00 20.00 H new ATOM 0 HD2 ARG A 57 -22.848 -12.885 22.104 1.00 20.00 H new ATOM 0 HD3 ARG A 57 -22.397 -13.292 20.460 1.00 20.00 H new ATOM 0 HE ARG A 57 -25.130 -14.096 21.210 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -23.080 -11.524 19.915 1.00 20.00 H new ATOM 0 HH12 ARG A 57 -24.397 -10.776 19.006 1.00 20.00 H new ATOM 0 HH21 ARG A 57 -26.811 -13.131 20.037 1.00 20.00 H new ATOM 0 HH22 ARG A 57 -26.501 -11.682 19.075 1.00 20.00 H new ATOM 1055 N LYS A 58 -20.469 -17.832 20.431 1.00 20.00 N ATOM 1056 CA LYS A 58 -20.665 -18.809 19.349 1.00 20.00 C ATOM 1057 C LYS A 58 -21.681 -18.338 18.309 1.00 20.00 C ATOM 1058 O LYS A 58 -21.476 -18.528 17.110 1.00 20.00 O ATOM 1059 CB LYS A 58 -21.073 -20.180 19.903 1.00 20.00 C ATOM 1060 CG LYS A 58 -21.192 -21.256 18.834 1.00 20.00 C ATOM 1061 CD LYS A 58 -21.417 -22.635 19.434 1.00 20.00 C ATOM 1062 CE LYS A 58 -20.254 -23.062 20.319 1.00 20.00 C ATOM 1063 NZ LYS A 58 -18.947 -22.958 19.614 1.00 20.00 N ATOM 0 H LYS A 58 -19.587 -17.323 20.367 1.00 20.00 H new ATOM 0 HA LYS A 58 -19.702 -18.904 18.847 1.00 20.00 H new ATOM 0 HB2 LYS A 58 -20.340 -20.496 20.645 1.00 20.00 H new ATOM 0 HB3 LYS A 58 -22.028 -20.085 20.419 1.00 20.00 H new ATOM 0 HG2 LYS A 58 -22.018 -21.013 18.166 1.00 20.00 H new ATOM 0 HG3 LYS A 58 -20.285 -21.268 18.229 1.00 20.00 H new ATOM 0 HD2 LYS A 58 -22.337 -22.631 20.019 1.00 20.00 H new ATOM 0 HD3 LYS A 58 -21.551 -23.362 18.633 1.00 20.00 H new ATOM 0 HE2 LYS A 58 -20.233 -22.441 21.214 1.00 20.00 H new ATOM 0 HE3 LYS A 58 -20.407 -24.090 20.648 1.00 20.00 H new ATOM 0 HZ1 LYS A 58 -18.288 -23.665 19.998 1.00 20.00 H new ATOM 0 HZ2 LYS A 58 -19.086 -23.131 18.598 1.00 20.00 H new ATOM 0 HZ3 LYS A 58 -18.553 -22.006 19.753 1.00 20.00 H new ATOM 1077 N GLU A 59 -22.760 -17.711 18.761 1.00 20.00 N ATOM 1078 CA GLU A 59 -23.826 -17.268 17.870 1.00 20.00 C ATOM 1079 C GLU A 59 -23.446 -15.954 17.175 1.00 20.00 C ATOM 1080 O GLU A 59 -24.246 -15.022 17.091 1.00 20.00 O ATOM 1081 CB GLU A 59 -25.125 -17.096 18.662 1.00 20.00 C ATOM 1082 CG GLU A 59 -26.374 -17.099 17.796 1.00 20.00 C ATOM 1083 CD GLU A 59 -26.629 -18.444 17.148 1.00 20.00 C ATOM 1084 OE1 GLU A 59 -26.006 -18.739 16.107 1.00 20.00 O ATOM 1085 OE2 GLU A 59 -27.453 -19.219 17.679 1.00 20.00 O ATOM 0 H GLU A 59 -22.921 -17.497 19.745 1.00 20.00 H new ATOM 0 HA GLU A 59 -23.974 -18.026 17.101 1.00 20.00 H new ATOM 0 HB2 GLU A 59 -25.201 -17.898 19.397 1.00 20.00 H new ATOM 0 HB3 GLU A 59 -25.081 -16.159 19.217 1.00 20.00 H new ATOM 0 HG2 GLU A 59 -27.235 -16.824 18.405 1.00 20.00 H new ATOM 0 HG3 GLU A 59 -26.276 -16.339 17.021 1.00 20.00 H new ATOM 1092 N ARG A 60 -22.213 -15.895 16.691 1.00 20.00 N ATOM 1093 CA ARG A 60 -21.698 -14.743 15.963 1.00 20.00 C ATOM 1094 C ARG A 60 -20.271 -15.034 15.513 1.00 20.00 C ATOM 1095 O ARG A 60 -19.729 -16.093 15.836 1.00 20.00 O ATOM 1096 CB ARG A 60 -21.704 -13.480 16.830 1.00 20.00 C ATOM 1097 CG ARG A 60 -20.649 -13.488 17.925 1.00 20.00 C ATOM 1098 CD ARG A 60 -20.472 -12.109 18.532 1.00 20.00 C ATOM 1099 NE ARG A 60 -20.141 -11.106 17.524 1.00 20.00 N ATOM 1100 CZ ARG A 60 -19.821 -9.844 17.802 1.00 20.00 C ATOM 1101 NH1 ARG A 60 -19.767 -9.425 19.062 1.00 20.00 N ATOM 1102 NH2 ARG A 60 -19.552 -9.002 16.814 1.00 20.00 N ATOM 0 H ARG A 60 -21.536 -16.651 16.793 1.00 20.00 H new ATOM 0 HA ARG A 60 -22.344 -14.567 15.103 1.00 20.00 H new ATOM 0 HB2 ARG A 60 -21.547 -12.611 16.192 1.00 20.00 H new ATOM 0 HB3 ARG A 60 -22.688 -13.367 17.286 1.00 20.00 H new ATOM 0 HG2 ARG A 60 -20.935 -14.196 18.703 1.00 20.00 H new ATOM 0 HG3 ARG A 60 -19.699 -13.832 17.515 1.00 20.00 H new ATOM 0 HD2 ARG A 60 -21.389 -11.818 19.045 1.00 20.00 H new ATOM 0 HD3 ARG A 60 -19.683 -12.142 19.283 1.00 20.00 H new ATOM 0 HE ARG A 60 -20.156 -11.390 16.545 1.00 20.00 H new ATOM 0 HH11 ARG A 60 -19.971 -10.072 19.824 1.00 20.00 H new ATOM 0 HH12 ARG A 60 -19.521 -8.457 19.267 1.00 20.00 H new ATOM 0 HH21 ARG A 60 -19.591 -9.322 15.846 1.00 20.00 H new ATOM 0 HH22 ARG A 60 -19.306 -8.034 17.022 1.00 20.00 H new ATOM 1116 N SER A 61 -19.674 -14.095 14.783 1.00 20.00 N ATOM 1117 CA SER A 61 -18.276 -14.197 14.374 1.00 20.00 C ATOM 1118 C SER A 61 -18.034 -15.437 13.516 1.00 20.00 C ATOM 1119 O SER A 61 -17.069 -16.173 13.727 1.00 20.00 O ATOM 1120 CB SER A 61 -17.368 -14.213 15.609 1.00 20.00 C ATOM 1121 OG SER A 61 -17.611 -13.082 16.432 1.00 20.00 O ATOM 0 H SER A 61 -20.142 -13.248 14.460 1.00 20.00 H new ATOM 0 HA SER A 61 -18.036 -13.324 13.766 1.00 20.00 H new ATOM 0 HB2 SER A 61 -17.539 -15.126 16.179 1.00 20.00 H new ATOM 0 HB3 SER A 61 -16.324 -14.223 15.297 1.00 20.00 H new ATOM 0 HG SER A 61 -16.760 -12.740 16.778 1.00 20.00 H new ATOM 1127 N LYS A 62 -18.912 -15.664 12.545 1.00 20.00 N ATOM 1128 CA LYS A 62 -18.766 -16.797 11.644 1.00 20.00 C ATOM 1129 C LYS A 62 -17.794 -16.450 10.525 1.00 20.00 C ATOM 1130 O LYS A 62 -17.357 -17.328 9.775 1.00 20.00 O ATOM 1131 CB LYS A 62 -20.119 -17.205 11.053 1.00 20.00 C ATOM 1132 CG LYS A 62 -20.057 -18.489 10.244 1.00 20.00 C ATOM 1133 CD LYS A 62 -21.370 -18.785 9.549 1.00 20.00 C ATOM 1134 CE LYS A 62 -21.297 -20.091 8.774 1.00 20.00 C ATOM 1135 NZ LYS A 62 -20.219 -20.074 7.746 1.00 20.00 N ATOM 0 H LYS A 62 -19.728 -15.080 12.364 1.00 20.00 H new ATOM 0 HA LYS A 62 -18.374 -17.639 12.214 1.00 20.00 H new ATOM 0 HB2 LYS A 62 -20.839 -17.328 11.862 1.00 20.00 H new ATOM 0 HB3 LYS A 62 -20.488 -16.400 10.417 1.00 20.00 H new ATOM 0 HG2 LYS A 62 -19.263 -18.412 9.501 1.00 20.00 H new ATOM 0 HG3 LYS A 62 -19.799 -19.320 10.901 1.00 20.00 H new ATOM 0 HD2 LYS A 62 -22.171 -18.840 10.286 1.00 20.00 H new ATOM 0 HD3 LYS A 62 -21.618 -17.969 8.870 1.00 20.00 H new ATOM 0 HE2 LYS A 62 -21.123 -20.914 9.467 1.00 20.00 H new ATOM 0 HE3 LYS A 62 -22.256 -20.279 8.290 1.00 20.00 H new ATOM 0 HZ1 LYS A 62 -20.291 -20.925 7.153 1.00 20.00 H new ATOM 0 HZ2 LYS A 62 -20.321 -19.227 7.150 1.00 20.00 H new ATOM 0 HZ3 LYS A 62 -19.291 -20.057 8.216 1.00 20.00 H new ATOM 1149 N GLN A 63 -17.468 -15.162 10.430 1.00 20.00 N ATOM 1150 CA GLN A 63 -16.540 -14.650 9.423 1.00 20.00 C ATOM 1151 C GLN A 63 -17.169 -14.705 8.037 1.00 20.00 C ATOM 1152 O GLN A 63 -17.854 -13.734 7.661 1.00 20.00 O ATOM 1153 CB GLN A 63 -15.220 -15.427 9.448 1.00 20.00 C ATOM 1154 CG GLN A 63 -14.455 -15.302 10.756 1.00 20.00 C ATOM 1155 CD GLN A 63 -13.934 -13.900 10.998 1.00 20.00 C ATOM 1156 OE1 GLN A 63 -14.601 -13.069 11.616 1.00 20.00 O ATOM 1157 NE2 GLN A 63 -12.739 -13.624 10.501 1.00 20.00 N ATOM 1158 OXT GLN A 63 -16.984 -15.713 7.325 1.00 20.00 O ATOM 0 H GLN A 63 -17.841 -14.443 11.050 1.00 20.00 H new ATOM 0 HA GLN A 63 -16.323 -13.609 9.662 1.00 20.00 H new ATOM 0 HB2 GLN A 63 -15.426 -16.480 9.259 1.00 20.00 H new ATOM 0 HB3 GLN A 63 -14.587 -15.075 8.633 1.00 20.00 H new ATOM 0 HG2 GLN A 63 -15.106 -15.591 11.581 1.00 20.00 H new ATOM 0 HG3 GLN A 63 -13.618 -16.000 10.751 1.00 20.00 H new ATOM 0 HE21 GLN A 63 -12.219 -14.341 9.995 1.00 20.00 H new ATOM 0 HE22 GLN A 63 -12.338 -12.694 10.624 1.00 20.00 H new TER 1167 GLN A 63