USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl -133:sc= 0 (180deg=-0.238) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 178:sc= 1.27 USER MOD Single : A 23 THR OG1 : rot -25:sc= 1.08 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 27 LYS NZ :NH3+ -144:sc= 0.276 (180deg=0.00265) USER MOD Single : A 29 LYS NZ :NH3+ -131:sc= 0.671 (180deg=0.00191) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0954 K(o=-0.095,f=-1.2!) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.416 K(o=0.42,f=-3.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc=0.000655 USER MOD Single : A 49 GLN : amide:sc= -0.271 K(o=-0.27,f=-3.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0021 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -174:sc= -0.284 (180deg=-0.392) USER MOD Single : A 57 SER OG : rot 69:sc= 1.27 USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00397) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc=-0.00162 K(o=-0.0016,f=-0.82) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 152:sc= -0.206 (180deg=-0.281) USER MOD Single : A 77 GLN : amide:sc= -0.997 X(o=-1,f=-0.67) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0592 X(o=-0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 83 N TYR A 9 -2.625 -8.519 -7.701 1.00 0.00 N ATOM 84 CA TYR A 9 -2.528 -8.751 -6.273 1.00 0.00 C ATOM 85 C TYR A 9 -2.227 -10.223 -5.987 1.00 0.00 C ATOM 86 O TYR A 9 -1.336 -10.521 -5.197 1.00 0.00 O ATOM 87 CB TYR A 9 -3.819 -8.251 -5.592 1.00 0.00 C ATOM 88 CG TYR A 9 -5.071 -8.706 -6.309 1.00 0.00 C ATOM 89 CD1 TYR A 9 -5.608 -9.972 -6.029 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.597 -7.933 -7.362 1.00 0.00 C ATOM 91 CE1 TYR A 9 -6.597 -10.512 -6.860 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.611 -8.457 -8.179 1.00 0.00 C ATOM 93 CZ TYR A 9 -7.098 -9.762 -7.949 1.00 0.00 C ATOM 94 OH TYR A 9 -8.025 -10.291 -8.789 1.00 0.00 O ATOM 0 HA TYR A 9 -1.695 -8.187 -5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.844 -8.609 -4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.805 -7.162 -5.550 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.258 -10.530 -5.173 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.220 -6.937 -7.541 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.978 -11.504 -6.669 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.018 -7.862 -8.983 1.00 0.00 H new ATOM 0 HH TYR A 9 -8.255 -9.634 -9.479 1.00 0.00 H new ATOM 104 N GLU A 10 -2.924 -11.138 -6.661 1.00 0.00 N ATOM 105 CA GLU A 10 -2.739 -12.574 -6.509 1.00 0.00 C ATOM 106 C GLU A 10 -1.333 -12.977 -6.953 1.00 0.00 C ATOM 107 O GLU A 10 -0.667 -13.744 -6.274 1.00 0.00 O ATOM 108 CB GLU A 10 -3.843 -13.341 -7.249 1.00 0.00 C ATOM 109 CG GLU A 10 -3.655 -13.377 -8.770 1.00 0.00 C ATOM 110 CD GLU A 10 -4.898 -13.888 -9.476 1.00 0.00 C ATOM 111 OE1 GLU A 10 -5.877 -13.128 -9.559 1.00 0.00 O ATOM 112 OE2 GLU A 10 -4.834 -15.046 -9.973 1.00 0.00 O ATOM 0 H GLU A 10 -3.645 -10.893 -7.339 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.827 -12.842 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.878 -14.363 -6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.806 -12.884 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.416 -12.377 -9.131 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.807 -14.016 -9.017 1.00 0.00 H new ATOM 119 N LEU A 11 -0.831 -12.402 -8.048 1.00 0.00 N ATOM 120 CA LEU A 11 0.491 -12.706 -8.589 1.00 0.00 C ATOM 121 C LEU A 11 1.585 -12.277 -7.594 1.00 0.00 C ATOM 122 O LEU A 11 2.685 -12.838 -7.586 1.00 0.00 O ATOM 123 CB LEU A 11 0.576 -12.052 -9.987 1.00 0.00 C ATOM 124 CG LEU A 11 1.752 -12.417 -10.916 1.00 0.00 C ATOM 125 CD1 LEU A 11 2.945 -11.492 -10.710 1.00 0.00 C ATOM 126 CD2 LEU A 11 2.224 -13.865 -10.799 1.00 0.00 C ATOM 0 H LEU A 11 -1.340 -11.703 -8.589 1.00 0.00 H new ATOM 0 HA LEU A 11 0.655 -13.775 -8.721 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.347 -12.288 -10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.594 -10.972 -9.844 1.00 0.00 H new ATOM 0 HG LEU A 11 1.346 -12.289 -11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.751 -11.783 -11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.649 -10.464 -10.921 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.289 -11.566 -9.678 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.053 -14.034 -11.487 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.554 -14.059 -9.778 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.403 -14.537 -11.048 1.00 0.00 H new ATOM 138 N TYR A 12 1.277 -11.339 -6.694 1.00 0.00 N ATOM 139 CA TYR A 12 2.146 -10.899 -5.609 1.00 0.00 C ATOM 140 C TYR A 12 1.782 -11.557 -4.272 1.00 0.00 C ATOM 141 O TYR A 12 2.425 -11.286 -3.262 1.00 0.00 O ATOM 142 CB TYR A 12 2.127 -9.363 -5.543 1.00 0.00 C ATOM 143 CG TYR A 12 2.421 -8.655 -6.863 1.00 0.00 C ATOM 144 CD1 TYR A 12 3.300 -9.221 -7.812 1.00 0.00 C ATOM 145 CD2 TYR A 12 1.775 -7.442 -7.166 1.00 0.00 C ATOM 146 CE1 TYR A 12 3.506 -8.609 -9.058 1.00 0.00 C ATOM 147 CE2 TYR A 12 1.976 -6.822 -8.411 1.00 0.00 C ATOM 148 CZ TYR A 12 2.839 -7.402 -9.366 1.00 0.00 C ATOM 149 OH TYR A 12 3.002 -6.806 -10.576 1.00 0.00 O ATOM 0 H TYR A 12 0.382 -10.850 -6.705 1.00 0.00 H new ATOM 0 HA TYR A 12 3.166 -11.223 -5.815 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.148 -9.042 -5.187 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.858 -9.037 -4.803 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.821 -10.137 -7.576 1.00 0.00 H new ATOM 0 HD2 TYR A 12 1.121 -6.985 -6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.172 -9.059 -9.779 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.468 -5.897 -8.639 1.00 0.00 H new ATOM 0 HH TYR A 12 2.466 -5.986 -10.612 1.00 0.00 H new ATOM 159 N MET A 13 0.798 -12.457 -4.212 1.00 0.00 N ATOM 160 CA MET A 13 0.490 -13.212 -3.015 1.00 0.00 C ATOM 161 C MET A 13 1.501 -14.321 -2.722 1.00 0.00 C ATOM 162 O MET A 13 1.466 -14.880 -1.623 1.00 0.00 O ATOM 163 CB MET A 13 -0.926 -13.778 -3.124 1.00 0.00 C ATOM 164 CG MET A 13 -1.724 -13.438 -1.872 1.00 0.00 C ATOM 165 SD MET A 13 -2.039 -11.670 -1.567 1.00 0.00 S ATOM 166 CE MET A 13 -3.471 -11.409 -2.658 1.00 0.00 C ATOM 0 H MET A 13 0.193 -12.677 -5.003 1.00 0.00 H new ATOM 0 HA MET A 13 0.553 -12.525 -2.171 1.00 0.00 H new ATOM 0 HB2 MET A 13 -1.423 -13.369 -4.004 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.885 -14.859 -3.256 1.00 0.00 H new ATOM 0 HG2 MET A 13 -2.684 -13.951 -1.929 1.00 0.00 H new ATOM 0 HG3 MET A 13 -1.196 -13.845 -1.009 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.320 -10.504 -3.247 1.00 0.00 H new ATOM 0 HE2 MET A 13 -3.579 -12.263 -3.327 1.00 0.00 H new ATOM 0 HE3 MET A 13 -4.373 -11.303 -2.055 1.00 0.00 H new ATOM 176 N TYR A 14 2.363 -14.660 -3.682 1.00 0.00 N ATOM 177 CA TYR A 14 3.239 -15.824 -3.621 1.00 0.00 C ATOM 178 C TYR A 14 4.679 -15.352 -3.406 1.00 0.00 C ATOM 179 O TYR A 14 5.266 -15.532 -2.339 1.00 0.00 O ATOM 180 CB TYR A 14 3.049 -16.677 -4.896 1.00 0.00 C ATOM 181 CG TYR A 14 1.610 -16.814 -5.373 1.00 0.00 C ATOM 182 CD1 TYR A 14 0.635 -17.372 -4.521 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.228 -16.331 -6.644 1.00 0.00 C ATOM 184 CE1 TYR A 14 -0.712 -17.435 -4.919 1.00 0.00 C ATOM 185 CE2 TYR A 14 -0.113 -16.426 -7.060 1.00 0.00 C ATOM 186 CZ TYR A 14 -1.097 -16.947 -6.188 1.00 0.00 C ATOM 187 OH TYR A 14 -2.409 -16.986 -6.556 1.00 0.00 O ATOM 0 H TYR A 14 2.471 -14.120 -4.540 1.00 0.00 H new ATOM 0 HA TYR A 14 2.987 -16.468 -2.778 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.641 -16.239 -5.699 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.450 -17.673 -4.711 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.926 -17.755 -3.554 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.966 -15.888 -7.297 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.452 -17.856 -4.255 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.392 -16.099 -8.051 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.507 -16.612 -7.457 1.00 0.00 H new ATOM 197 N ARG A 15 5.236 -14.705 -4.429 1.00 0.00 N ATOM 198 CA ARG A 15 6.570 -14.111 -4.489 1.00 0.00 C ATOM 199 C ARG A 15 6.729 -13.000 -3.443 1.00 0.00 C ATOM 200 O ARG A 15 5.751 -12.593 -2.810 1.00 0.00 O ATOM 201 CB ARG A 15 6.736 -13.555 -5.917 1.00 0.00 C ATOM 202 CG ARG A 15 7.937 -14.055 -6.729 1.00 0.00 C ATOM 203 CD ARG A 15 9.257 -13.478 -6.222 1.00 0.00 C ATOM 204 NE ARG A 15 10.220 -13.271 -7.310 1.00 0.00 N ATOM 205 CZ ARG A 15 11.259 -14.039 -7.646 1.00 0.00 C ATOM 206 NH1 ARG A 15 11.534 -15.156 -6.978 1.00 0.00 N ATOM 207 NH2 ARG A 15 12.006 -13.688 -8.685 1.00 0.00 N ATOM 0 H ARG A 15 4.727 -14.573 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 15 7.337 -14.853 -4.266 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.830 -13.786 -6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.801 -12.469 -5.851 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.977 -15.143 -6.683 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.803 -13.785 -7.776 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.069 -12.529 -5.719 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.687 -14.152 -5.481 1.00 0.00 H new ATOM 0 HE ARG A 15 10.078 -12.437 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.946 -15.439 -6.194 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.332 -15.729 -7.250 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.782 -12.844 -9.212 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.804 -14.262 -8.957 1.00 0.00 H new ATOM 221 N GLU A 16 7.939 -12.472 -3.301 1.00 0.00 N ATOM 222 CA GLU A 16 8.235 -11.312 -2.476 1.00 0.00 C ATOM 223 C GLU A 16 8.646 -10.130 -3.349 1.00 0.00 C ATOM 224 O GLU A 16 8.790 -10.252 -4.568 1.00 0.00 O ATOM 225 CB GLU A 16 9.285 -11.693 -1.417 1.00 0.00 C ATOM 226 CG GLU A 16 8.651 -12.495 -0.271 1.00 0.00 C ATOM 227 CD GLU A 16 9.004 -13.974 -0.151 1.00 0.00 C ATOM 228 OE1 GLU A 16 9.231 -14.689 -1.147 1.00 0.00 O ATOM 229 OE2 GLU A 16 9.001 -14.440 1.017 1.00 0.00 O ATOM 0 H GLU A 16 8.762 -12.851 -3.770 1.00 0.00 H new ATOM 0 HA GLU A 16 7.344 -10.989 -1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.077 -12.281 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.749 -10.790 -1.020 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.923 -12.010 0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.568 -12.417 -0.368 1.00 0.00 H new ATOM 236 N VAL A 17 8.784 -8.973 -2.710 1.00 0.00 N ATOM 237 CA VAL A 17 9.226 -7.713 -3.275 1.00 0.00 C ATOM 238 C VAL A 17 10.029 -7.018 -2.172 1.00 0.00 C ATOM 239 O VAL A 17 9.745 -7.228 -0.983 1.00 0.00 O ATOM 240 CB VAL A 17 8.005 -6.885 -3.748 1.00 0.00 C ATOM 241 CG1 VAL A 17 6.934 -6.729 -2.658 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.391 -5.479 -4.226 1.00 0.00 C ATOM 0 H VAL A 17 8.574 -8.891 -1.715 1.00 0.00 H new ATOM 0 HA VAL A 17 9.850 -7.844 -4.159 1.00 0.00 H new ATOM 0 HB VAL A 17 7.599 -7.458 -4.582 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.103 -6.140 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.573 -7.713 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.365 -6.223 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.496 -4.945 -4.545 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.866 -4.935 -3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.085 -5.557 -5.063 1.00 0.00 H new ATOM 252 N ASP A 18 10.991 -6.168 -2.540 1.00 0.00 N ATOM 253 CA ASP A 18 11.677 -5.356 -1.549 1.00 0.00 C ATOM 254 C ASP A 18 10.808 -4.158 -1.185 1.00 0.00 C ATOM 255 O ASP A 18 10.753 -3.180 -1.926 1.00 0.00 O ATOM 256 CB ASP A 18 13.053 -4.871 -2.012 1.00 0.00 C ATOM 257 CG ASP A 18 13.845 -4.341 -0.813 1.00 0.00 C ATOM 258 OD1 ASP A 18 13.302 -4.269 0.328 1.00 0.00 O ATOM 259 OD2 ASP A 18 15.049 -4.064 -0.977 1.00 0.00 O ATOM 0 H ASP A 18 11.304 -6.030 -3.501 1.00 0.00 H new ATOM 0 HA ASP A 18 11.844 -5.991 -0.679 1.00 0.00 H new ATOM 0 HB2 ASP A 18 13.596 -5.688 -2.486 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.940 -4.087 -2.760 1.00 0.00 H new ATOM 264 N THR A 19 10.115 -4.209 -0.050 1.00 0.00 N ATOM 265 CA THR A 19 9.257 -3.109 0.374 1.00 0.00 C ATOM 266 C THR A 19 10.010 -1.786 0.565 1.00 0.00 C ATOM 267 O THR A 19 9.378 -0.736 0.479 1.00 0.00 O ATOM 268 CB THR A 19 8.496 -3.492 1.647 1.00 0.00 C ATOM 269 OG1 THR A 19 9.359 -4.125 2.566 1.00 0.00 O ATOM 270 CG2 THR A 19 7.358 -4.459 1.340 1.00 0.00 C ATOM 0 H THR A 19 10.132 -5.001 0.592 1.00 0.00 H new ATOM 0 HA THR A 19 8.548 -2.936 -0.435 1.00 0.00 H new ATOM 0 HB THR A 19 8.095 -2.570 2.069 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.868 -4.329 3.389 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.837 -4.712 2.263 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.660 -3.991 0.646 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.763 -5.366 0.891 1.00 0.00 H new ATOM 278 N LEU A 20 11.328 -1.788 0.805 1.00 0.00 N ATOM 279 CA LEU A 20 12.100 -0.557 0.889 1.00 0.00 C ATOM 280 C LEU A 20 12.100 0.094 -0.487 1.00 0.00 C ATOM 281 O LEU A 20 11.557 1.188 -0.643 1.00 0.00 O ATOM 282 CB LEU A 20 13.535 -0.849 1.355 1.00 0.00 C ATOM 283 CG LEU A 20 13.829 -0.641 2.846 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.631 0.818 3.279 1.00 0.00 C ATOM 285 CD2 LEU A 20 13.034 -1.592 3.747 1.00 0.00 C ATOM 0 H LEU A 20 11.877 -2.636 0.944 1.00 0.00 H new ATOM 0 HA LEU A 20 11.653 0.117 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.772 -1.883 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.214 -0.217 0.783 1.00 0.00 H new ATOM 0 HG LEU A 20 14.884 -0.885 2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.851 0.915 4.342 1.00 0.00 H new ATOM 0 HD12 LEU A 20 14.302 1.461 2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.599 1.116 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.283 -1.398 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.967 -1.432 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.286 -2.623 3.499 1.00 0.00 H new ATOM 297 N GLU A 21 12.693 -0.595 -1.459 1.00 0.00 N ATOM 298 CA GLU A 21 12.854 -0.161 -2.839 1.00 0.00 C ATOM 299 C GLU A 21 11.485 0.187 -3.444 1.00 0.00 C ATOM 300 O GLU A 21 11.342 1.180 -4.145 1.00 0.00 O ATOM 301 CB GLU A 21 13.547 -1.278 -3.626 1.00 0.00 C ATOM 302 CG GLU A 21 14.631 -0.805 -4.602 1.00 0.00 C ATOM 303 CD GLU A 21 14.143 0.196 -5.645 1.00 0.00 C ATOM 304 OE1 GLU A 21 13.698 -0.261 -6.726 1.00 0.00 O ATOM 305 OE2 GLU A 21 14.281 1.409 -5.371 1.00 0.00 O ATOM 0 H GLU A 21 13.094 -1.518 -1.294 1.00 0.00 H new ATOM 0 HA GLU A 21 13.470 0.737 -2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.995 -1.976 -2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.792 -1.831 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.443 -0.352 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.046 -1.673 -5.115 1.00 0.00 H new ATOM 312 N LEU A 22 10.443 -0.577 -3.113 1.00 0.00 N ATOM 313 CA LEU A 22 9.081 -0.288 -3.533 1.00 0.00 C ATOM 314 C LEU A 22 8.674 1.123 -3.106 1.00 0.00 C ATOM 315 O LEU A 22 8.253 1.908 -3.949 1.00 0.00 O ATOM 316 CB LEU A 22 8.144 -1.353 -2.954 1.00 0.00 C ATOM 317 CG LEU A 22 6.652 -1.066 -3.180 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.288 -0.999 -4.663 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.837 -2.166 -2.499 1.00 0.00 C ATOM 0 H LEU A 22 10.526 -1.418 -2.542 1.00 0.00 H new ATOM 0 HA LEU A 22 9.013 -0.321 -4.620 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.389 -2.317 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.328 -1.440 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 22 6.425 -0.089 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.223 -0.794 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.859 -0.204 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.522 -1.951 -5.139 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.774 -1.978 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.099 -3.132 -2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.056 -2.173 -1.431 1.00 0.00 H new ATOM 331 N THR A 23 8.768 1.471 -1.816 1.00 0.00 N ATOM 332 CA THR A 23 8.391 2.820 -1.380 1.00 0.00 C ATOM 333 C THR A 23 9.255 3.865 -2.074 1.00 0.00 C ATOM 334 O THR A 23 8.765 4.934 -2.422 1.00 0.00 O ATOM 335 CB THR A 23 8.437 2.979 0.143 1.00 0.00 C ATOM 336 OG1 THR A 23 9.723 2.793 0.702 1.00 0.00 O ATOM 337 CG2 THR A 23 7.464 2.011 0.800 1.00 0.00 C ATOM 0 H THR A 23 9.094 0.853 -1.072 1.00 0.00 H new ATOM 0 HA THR A 23 7.353 2.978 -1.673 1.00 0.00 H new ATOM 0 HB THR A 23 8.153 4.012 0.341 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.256 2.220 0.112 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.505 2.133 1.882 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.453 2.218 0.450 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.736 0.988 0.539 1.00 0.00 H new ATOM 345 N ARG A 24 10.529 3.548 -2.291 1.00 0.00 N ATOM 346 CA ARG A 24 11.496 4.385 -2.997 1.00 0.00 C ATOM 347 C ARG A 24 10.979 4.742 -4.397 1.00 0.00 C ATOM 348 O ARG A 24 10.733 5.932 -4.635 1.00 0.00 O ATOM 349 CB ARG A 24 12.872 3.676 -3.006 1.00 0.00 C ATOM 350 CG ARG A 24 13.799 4.220 -1.913 1.00 0.00 C ATOM 351 CD ARG A 24 13.402 3.707 -0.523 1.00 0.00 C ATOM 352 NE ARG A 24 13.931 4.462 0.629 1.00 0.00 N ATOM 353 CZ ARG A 24 15.058 5.177 0.798 1.00 0.00 C ATOM 354 NH1 ARG A 24 15.906 5.414 -0.194 1.00 0.00 N ATOM 355 NH2 ARG A 24 15.346 5.680 1.992 1.00 0.00 N ATOM 0 H ARG A 24 10.931 2.668 -1.968 1.00 0.00 H new ATOM 0 HA ARG A 24 11.627 5.335 -2.479 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.730 2.605 -2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.342 3.807 -3.980 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.827 3.927 -2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.770 5.310 -1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.314 3.702 -0.458 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.731 2.672 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 24 13.329 4.437 1.452 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.714 5.049 -1.127 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.750 5.961 -0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.714 5.524 2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.199 6.223 2.124 1.00 0.00 H new ATOM 369 N GLN A 25 10.738 3.737 -5.246 1.00 0.00 N ATOM 370 CA GLN A 25 10.188 3.865 -6.596 1.00 0.00 C ATOM 371 C GLN A 25 8.914 4.691 -6.572 1.00 0.00 C ATOM 372 O GLN A 25 8.762 5.645 -7.336 1.00 0.00 O ATOM 373 CB GLN A 25 9.867 2.479 -7.169 1.00 0.00 C ATOM 374 CG GLN A 25 11.100 1.632 -7.431 1.00 0.00 C ATOM 375 CD GLN A 25 11.634 1.795 -8.844 1.00 0.00 C ATOM 376 OE1 GLN A 25 12.204 2.820 -9.204 1.00 0.00 O ATOM 377 NE2 GLN A 25 11.481 0.788 -9.682 1.00 0.00 N ATOM 0 H GLN A 25 10.931 2.767 -4.997 1.00 0.00 H new ATOM 0 HA GLN A 25 10.932 4.360 -7.221 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.213 1.950 -6.475 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.313 2.599 -8.100 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.880 1.903 -6.719 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.859 0.583 -7.257 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.006 -0.062 -9.377 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.837 0.859 -10.635 1.00 0.00 H new ATOM 386 N VAL A 26 7.996 4.315 -5.680 1.00 0.00 N ATOM 387 CA VAL A 26 6.681 4.917 -5.574 1.00 0.00 C ATOM 388 C VAL A 26 6.853 6.414 -5.322 1.00 0.00 C ATOM 389 O VAL A 26 6.335 7.231 -6.080 1.00 0.00 O ATOM 390 CB VAL A 26 5.891 4.190 -4.470 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.609 4.929 -4.066 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.551 2.768 -4.932 1.00 0.00 C ATOM 0 H VAL A 26 8.156 3.570 -5.002 1.00 0.00 H new ATOM 0 HA VAL A 26 6.105 4.812 -6.494 1.00 0.00 H new ATOM 0 HB VAL A 26 6.528 4.159 -3.586 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.096 4.368 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.863 5.921 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.955 5.024 -4.933 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.992 2.255 -4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.947 2.814 -5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.472 2.222 -5.137 1.00 0.00 H new ATOM 402 N LYS A 27 7.601 6.790 -4.279 1.00 0.00 N ATOM 403 CA LYS A 27 7.850 8.179 -3.933 1.00 0.00 C ATOM 404 C LYS A 27 8.488 8.943 -5.090 1.00 0.00 C ATOM 405 O LYS A 27 8.201 10.131 -5.242 1.00 0.00 O ATOM 406 CB LYS A 27 8.734 8.221 -2.684 1.00 0.00 C ATOM 407 CG LYS A 27 7.998 7.848 -1.391 1.00 0.00 C ATOM 408 CD LYS A 27 8.996 7.812 -0.229 1.00 0.00 C ATOM 409 CE LYS A 27 9.774 6.501 -0.081 1.00 0.00 C ATOM 410 NZ LYS A 27 10.871 6.634 0.898 1.00 0.00 N ATOM 0 H LYS A 27 8.052 6.126 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 27 6.900 8.672 -3.725 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.574 7.540 -2.822 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.150 9.223 -2.578 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.210 8.573 -1.186 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.516 6.876 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.709 8.627 -0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.457 8.003 0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.097 5.708 0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.181 6.206 -1.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.688 6.072 0.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.148 7.634 0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.552 6.290 1.826 1.00 0.00 H new ATOM 424 N GLU A 28 9.370 8.332 -5.883 1.00 0.00 N ATOM 425 CA GLU A 28 9.950 9.022 -7.032 1.00 0.00 C ATOM 426 C GLU A 28 8.886 9.254 -8.104 1.00 0.00 C ATOM 427 O GLU A 28 8.692 10.400 -8.506 1.00 0.00 O ATOM 428 CB GLU A 28 11.199 8.298 -7.556 1.00 0.00 C ATOM 429 CG GLU A 28 12.391 8.651 -6.658 1.00 0.00 C ATOM 430 CD GLU A 28 13.737 8.180 -7.194 1.00 0.00 C ATOM 431 OE1 GLU A 28 14.122 8.555 -8.326 1.00 0.00 O ATOM 432 OE2 GLU A 28 14.471 7.499 -6.435 1.00 0.00 O ATOM 0 H GLU A 28 9.694 7.374 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 28 10.298 10.005 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.036 7.220 -7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.402 8.593 -8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.424 9.732 -6.525 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.232 8.213 -5.673 1.00 0.00 H new ATOM 439 N LYS A 29 8.143 8.223 -8.526 1.00 0.00 N ATOM 440 CA LYS A 29 7.059 8.388 -9.503 1.00 0.00 C ATOM 441 C LYS A 29 6.031 9.435 -9.048 1.00 0.00 C ATOM 442 O LYS A 29 5.542 10.221 -9.859 1.00 0.00 O ATOM 443 CB LYS A 29 6.424 7.043 -9.829 1.00 0.00 C ATOM 444 CG LYS A 29 5.478 7.228 -11.031 1.00 0.00 C ATOM 445 CD LYS A 29 5.290 5.908 -11.765 1.00 0.00 C ATOM 446 CE LYS A 29 6.465 5.585 -12.699 1.00 0.00 C ATOM 447 NZ LYS A 29 6.229 4.361 -13.495 1.00 0.00 N ATOM 0 H LYS A 29 8.273 7.264 -8.205 1.00 0.00 H new ATOM 0 HA LYS A 29 7.489 8.776 -10.426 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.194 6.307 -10.062 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.873 6.666 -8.968 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.513 7.602 -10.689 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.886 7.975 -11.712 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.176 5.104 -11.038 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.368 5.946 -12.345 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.634 6.426 -13.371 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.373 5.462 -12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.060 3.739 -13.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.393 3.863 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.068 4.619 -14.489 1.00 0.00 H new ATOM 461 N LEU A 30 5.703 9.451 -7.753 1.00 0.00 N ATOM 462 CA LEU A 30 4.771 10.406 -7.163 1.00 0.00 C ATOM 463 C LEU A 30 5.292 11.827 -7.350 1.00 0.00 C ATOM 464 O LEU A 30 4.557 12.668 -7.868 1.00 0.00 O ATOM 465 CB LEU A 30 4.544 10.109 -5.670 1.00 0.00 C ATOM 466 CG LEU A 30 3.674 8.866 -5.399 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.783 8.413 -3.940 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.198 9.077 -5.741 1.00 0.00 C ATOM 0 H LEU A 30 6.085 8.789 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 30 3.812 10.309 -7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.512 9.974 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.074 10.976 -5.206 1.00 0.00 H new ATOM 0 HG LEU A 30 4.067 8.092 -6.059 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.157 7.534 -3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.820 8.165 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.450 9.217 -3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.641 8.165 -5.527 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.799 9.895 -5.141 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.101 9.322 -6.799 1.00 0.00 H new ATOM 480 N ALA A 31 6.545 12.083 -6.959 1.00 0.00 N ATOM 481 CA ALA A 31 7.179 13.388 -7.107 1.00 0.00 C ATOM 482 C ALA A 31 7.243 13.794 -8.580 1.00 0.00 C ATOM 483 O ALA A 31 6.941 14.930 -8.931 1.00 0.00 O ATOM 484 CB ALA A 31 8.573 13.359 -6.472 1.00 0.00 C ATOM 0 H ALA A 31 7.148 11.382 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 31 6.581 14.138 -6.590 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.044 14.335 -6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.485 13.118 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.183 12.603 -6.967 1.00 0.00 H new ATOM 490 N LYS A 32 7.559 12.852 -9.471 1.00 0.00 N ATOM 491 CA LYS A 32 7.632 13.089 -10.910 1.00 0.00 C ATOM 492 C LYS A 32 6.306 13.596 -11.489 1.00 0.00 C ATOM 493 O LYS A 32 6.312 14.225 -12.548 1.00 0.00 O ATOM 494 CB LYS A 32 8.076 11.786 -11.592 1.00 0.00 C ATOM 495 CG LYS A 32 8.841 12.037 -12.894 1.00 0.00 C ATOM 496 CD LYS A 32 9.164 10.696 -13.564 1.00 0.00 C ATOM 497 CE LYS A 32 10.093 10.881 -14.768 1.00 0.00 C ATOM 498 NZ LYS A 32 10.486 9.583 -15.357 1.00 0.00 N ATOM 0 H LYS A 32 7.774 11.890 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 32 8.359 13.879 -11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.706 11.218 -10.908 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.200 11.173 -11.802 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.245 12.657 -13.565 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.761 12.584 -12.688 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.633 10.030 -12.840 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.240 10.217 -13.886 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.594 11.488 -15.524 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.985 11.426 -14.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.114 9.746 -16.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.984 9.014 -14.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.636 9.074 -15.674 1.00 0.00 H new ATOM 512 N ASN A 33 5.176 13.320 -10.833 1.00 0.00 N ATOM 513 CA ASN A 33 3.835 13.792 -11.199 1.00 0.00 C ATOM 514 C ASN A 33 3.291 14.849 -10.217 1.00 0.00 C ATOM 515 O ASN A 33 2.119 15.217 -10.314 1.00 0.00 O ATOM 516 CB ASN A 33 2.864 12.596 -11.379 1.00 0.00 C ATOM 517 CG ASN A 33 2.955 11.939 -12.755 1.00 0.00 C ATOM 518 OD1 ASN A 33 3.258 12.591 -13.750 1.00 0.00 O ATOM 519 ND2 ASN A 33 2.733 10.641 -12.875 1.00 0.00 N ATOM 0 H ASN A 33 5.169 12.737 -9.996 1.00 0.00 H new ATOM 0 HA ASN A 33 3.917 14.300 -12.160 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.075 11.849 -10.614 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.843 12.940 -11.216 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.814 10.192 -13.787 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.481 10.089 -12.055 1.00 0.00 H new ATOM 526 N GLY A 34 4.084 15.353 -9.264 1.00 0.00 N ATOM 527 CA GLY A 34 3.660 16.406 -8.341 1.00 0.00 C ATOM 528 C GLY A 34 2.588 15.945 -7.345 1.00 0.00 C ATOM 529 O GLY A 34 1.751 16.749 -6.925 1.00 0.00 O ATOM 0 H GLY A 34 5.042 15.038 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.528 16.767 -7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.274 17.249 -8.915 1.00 0.00 H new ATOM 533 N ILE A 35 2.499 14.645 -7.058 1.00 0.00 N ATOM 534 CA ILE A 35 1.372 14.056 -6.339 1.00 0.00 C ATOM 535 C ILE A 35 1.616 14.180 -4.835 1.00 0.00 C ATOM 536 O ILE A 35 2.722 13.949 -4.342 1.00 0.00 O ATOM 537 CB ILE A 35 1.138 12.601 -6.810 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.824 12.643 -8.325 1.00 0.00 C ATOM 539 CG2 ILE A 35 0.003 11.913 -6.022 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.421 11.316 -8.966 1.00 0.00 C ATOM 0 H ILE A 35 3.214 13.967 -7.321 1.00 0.00 H new ATOM 0 HA ILE A 35 0.451 14.595 -6.560 1.00 0.00 H new ATOM 0 HB ILE A 35 2.033 12.007 -6.624 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.020 13.361 -8.489 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.702 13.023 -8.847 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.127 10.894 -6.386 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.258 11.890 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.925 12.468 -6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.226 11.469 -10.027 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.229 10.594 -8.846 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.479 10.937 -8.483 1.00 0.00 H new ATOM 552 N CYS A 36 0.554 14.461 -4.085 1.00 0.00 N ATOM 553 CA CYS A 36 0.554 14.665 -2.644 1.00 0.00 C ATOM 554 C CYS A 36 0.375 13.320 -1.930 1.00 0.00 C ATOM 555 O CYS A 36 -0.605 12.612 -2.191 1.00 0.00 O ATOM 556 CB CYS A 36 -0.597 15.624 -2.292 1.00 0.00 C ATOM 557 SG CYS A 36 -0.507 17.123 -3.328 1.00 0.00 S ATOM 0 H CYS A 36 -0.377 14.557 -4.490 1.00 0.00 H new ATOM 0 HA CYS A 36 1.501 15.097 -2.320 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.554 15.126 -2.443 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.543 15.898 -1.238 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.486 17.922 -3.021 1.00 0.00 H new ATOM 563 N GLN A 37 1.302 12.950 -1.038 1.00 0.00 N ATOM 564 CA GLN A 37 1.352 11.617 -0.429 1.00 0.00 C ATOM 565 C GLN A 37 0.106 11.300 0.397 1.00 0.00 C ATOM 566 O GLN A 37 -0.263 10.129 0.492 1.00 0.00 O ATOM 567 CB GLN A 37 2.607 11.450 0.450 1.00 0.00 C ATOM 568 CG GLN A 37 3.916 11.240 -0.332 1.00 0.00 C ATOM 569 CD GLN A 37 4.471 12.478 -1.038 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.062 13.614 -0.797 1.00 0.00 O ATOM 571 NE2 GLN A 37 5.400 12.270 -1.953 1.00 0.00 N ATOM 0 H GLN A 37 2.043 13.572 -0.717 1.00 0.00 H new ATOM 0 HA GLN A 37 1.394 10.910 -1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.713 12.334 1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.457 10.600 1.116 1.00 0.00 H new ATOM 0 HG2 GLN A 37 4.674 10.867 0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.752 10.462 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.728 11.323 -2.141 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.790 13.057 -2.472 1.00 0.00 H new ATOM 580 N ARG A 38 -0.574 12.300 0.971 1.00 0.00 N ATOM 581 CA ARG A 38 -1.834 12.064 1.665 1.00 0.00 C ATOM 582 C ARG A 38 -2.847 11.505 0.686 1.00 0.00 C ATOM 583 O ARG A 38 -3.338 10.406 0.889 1.00 0.00 O ATOM 584 CB ARG A 38 -2.372 13.336 2.328 1.00 0.00 C ATOM 585 CG ARG A 38 -3.673 13.019 3.086 1.00 0.00 C ATOM 586 CD ARG A 38 -4.387 14.289 3.526 1.00 0.00 C ATOM 587 NE ARG A 38 -5.046 14.938 2.387 1.00 0.00 N ATOM 588 CZ ARG A 38 -5.746 16.070 2.460 1.00 0.00 C ATOM 589 NH1 ARG A 38 -5.887 16.702 3.622 1.00 0.00 N ATOM 590 NH2 ARG A 38 -6.316 16.545 1.360 1.00 0.00 N ATOM 0 H ARG A 38 -0.270 13.274 0.966 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.654 11.343 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.629 13.741 3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.557 14.100 1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.333 12.432 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.447 12.407 3.959 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.126 14.050 4.291 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.671 14.976 3.978 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.962 14.491 1.474 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.458 16.321 4.465 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.424 17.568 3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.215 16.045 0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.855 17.410 1.398 1.00 0.00 H new ATOM 604 N ILE A 39 -3.193 12.283 -0.338 1.00 0.00 N ATOM 605 CA ILE A 39 -4.272 11.960 -1.262 1.00 0.00 C ATOM 606 C ILE A 39 -3.939 10.644 -1.968 1.00 0.00 C ATOM 607 O ILE A 39 -4.837 9.838 -2.197 1.00 0.00 O ATOM 608 CB ILE A 39 -4.455 13.122 -2.269 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.842 14.442 -1.556 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.501 12.756 -3.337 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.732 15.672 -2.470 1.00 0.00 C ATOM 0 H ILE A 39 -2.725 13.164 -0.549 1.00 0.00 H new ATOM 0 HA ILE A 39 -5.213 11.834 -0.727 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.496 13.283 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.864 14.362 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.198 14.582 -0.688 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.615 13.586 -4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -5.173 11.869 -3.879 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.458 12.554 -2.855 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.016 16.565 -1.914 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.705 15.774 -2.821 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.397 15.551 -3.325 1.00 0.00 H new ATOM 623 N PHE A 40 -2.665 10.412 -2.289 1.00 0.00 N ATOM 624 CA PHE A 40 -2.228 9.143 -2.833 1.00 0.00 C ATOM 625 C PHE A 40 -2.610 8.004 -1.880 1.00 0.00 C ATOM 626 O PHE A 40 -3.280 7.058 -2.293 1.00 0.00 O ATOM 627 CB PHE A 40 -0.716 9.168 -3.100 1.00 0.00 C ATOM 628 CG PHE A 40 -0.118 7.800 -3.374 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.491 7.099 -4.533 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.751 7.193 -2.446 1.00 0.00 C ATOM 631 CE1 PHE A 40 -0.005 5.803 -4.769 1.00 0.00 C ATOM 632 CE2 PHE A 40 1.244 5.895 -2.688 1.00 0.00 C ATOM 633 CZ PHE A 40 0.861 5.196 -3.847 1.00 0.00 C ATOM 0 H PHE A 40 -1.919 11.098 -2.177 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.730 8.970 -3.785 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.518 9.818 -3.952 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.212 9.608 -2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.156 7.560 -5.248 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.039 7.722 -1.550 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.299 5.272 -5.662 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.918 5.435 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.232 4.198 -4.026 1.00 0.00 H new ATOM 643 N GLY A 41 -2.178 8.080 -0.617 1.00 0.00 N ATOM 644 CA GLY A 41 -2.506 7.070 0.377 1.00 0.00 C ATOM 645 C GLY A 41 -4.007 6.857 0.502 1.00 0.00 C ATOM 646 O GLY A 41 -4.478 5.727 0.477 1.00 0.00 O ATOM 0 H GLY A 41 -1.596 8.840 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.028 6.128 0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.101 7.368 1.344 1.00 0.00 H new ATOM 650 N GLU A 42 -4.755 7.946 0.579 1.00 0.00 N ATOM 651 CA GLU A 42 -6.159 8.021 0.798 1.00 0.00 C ATOM 652 C GLU A 42 -6.920 7.338 -0.339 1.00 0.00 C ATOM 653 O GLU A 42 -7.577 6.323 -0.118 1.00 0.00 O ATOM 654 CB GLU A 42 -6.356 9.532 0.933 1.00 0.00 C ATOM 655 CG GLU A 42 -7.729 9.903 1.390 1.00 0.00 C ATOM 656 CD GLU A 42 -7.691 11.292 2.010 1.00 0.00 C ATOM 657 OE1 GLU A 42 -7.566 12.295 1.272 1.00 0.00 O ATOM 658 OE2 GLU A 42 -7.702 11.386 3.259 1.00 0.00 O ATOM 0 H GLU A 42 -4.341 8.873 0.479 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.547 7.495 1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.625 9.927 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.159 10.006 -0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.422 9.886 0.549 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.092 9.177 2.117 1.00 0.00 H new ATOM 665 N LYS A 43 -6.835 7.871 -1.560 1.00 0.00 N ATOM 666 CA LYS A 43 -7.665 7.409 -2.666 1.00 0.00 C ATOM 667 C LYS A 43 -7.078 6.181 -3.352 1.00 0.00 C ATOM 668 O LYS A 43 -7.845 5.328 -3.806 1.00 0.00 O ATOM 669 CB LYS A 43 -7.909 8.551 -3.654 1.00 0.00 C ATOM 670 CG LYS A 43 -8.766 9.660 -3.018 1.00 0.00 C ATOM 671 CD LYS A 43 -9.563 10.387 -4.103 1.00 0.00 C ATOM 672 CE LYS A 43 -10.394 11.569 -3.584 1.00 0.00 C ATOM 673 NZ LYS A 43 -11.480 11.170 -2.661 1.00 0.00 N ATOM 0 H LYS A 43 -6.195 8.627 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.626 7.097 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.955 8.966 -3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.408 8.166 -4.543 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.445 9.230 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.127 10.367 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.873 10.749 -4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -10.229 9.674 -4.589 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.734 12.270 -3.073 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.826 12.099 -4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.999 12.016 -2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.132 10.524 -3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.073 10.690 -1.833 1.00 0.00 H new ATOM 687 N VAL A 44 -5.753 6.079 -3.482 1.00 0.00 N ATOM 688 CA VAL A 44 -5.134 4.949 -4.172 1.00 0.00 C ATOM 689 C VAL A 44 -4.989 3.782 -3.192 1.00 0.00 C ATOM 690 O VAL A 44 -5.506 2.695 -3.454 1.00 0.00 O ATOM 691 CB VAL A 44 -3.786 5.318 -4.837 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.397 4.252 -5.871 1.00 0.00 C ATOM 693 CG2 VAL A 44 -3.821 6.686 -5.538 1.00 0.00 C ATOM 0 H VAL A 44 -5.091 6.765 -3.119 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.786 4.649 -4.993 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.051 5.367 -4.034 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.447 4.522 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.299 3.285 -5.377 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.169 4.191 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.848 6.890 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.584 6.677 -6.316 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.056 7.462 -4.810 1.00 0.00 H new ATOM 703 N LEU A 45 -4.272 3.972 -2.078 1.00 0.00 N ATOM 704 CA LEU A 45 -3.913 2.848 -1.211 1.00 0.00 C ATOM 705 C LEU A 45 -5.069 2.439 -0.296 1.00 0.00 C ATOM 706 O LEU A 45 -5.193 1.253 0.013 1.00 0.00 O ATOM 707 CB LEU A 45 -2.632 3.143 -0.404 1.00 0.00 C ATOM 708 CG LEU A 45 -1.379 3.335 -1.284 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.196 3.823 -0.443 1.00 0.00 C ATOM 710 CD2 LEU A 45 -0.955 2.004 -1.889 1.00 0.00 C ATOM 0 H LEU A 45 -3.934 4.880 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.704 1.998 -1.861 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.788 4.041 0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.455 2.324 0.293 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.634 4.062 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.677 3.952 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.449 4.776 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.027 3.089 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.070 2.151 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.726 1.298 -1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.765 1.609 -2.502 1.00 0.00 H new ATOM 722 N GLY A 46 -5.921 3.384 0.106 1.00 0.00 N ATOM 723 CA GLY A 46 -7.001 3.178 1.061 1.00 0.00 C ATOM 724 C GLY A 46 -6.554 3.406 2.509 1.00 0.00 C ATOM 725 O GLY A 46 -7.104 2.784 3.422 1.00 0.00 O ATOM 0 H GLY A 46 -5.873 4.343 -0.238 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.823 3.855 0.827 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.384 2.163 0.958 1.00 0.00 H new ATOM 729 N LEU A 47 -5.546 4.254 2.747 1.00 0.00 N ATOM 730 CA LEU A 47 -4.938 4.471 4.060 1.00 0.00 C ATOM 731 C LEU A 47 -4.948 5.946 4.434 1.00 0.00 C ATOM 732 O LEU A 47 -4.900 6.819 3.572 1.00 0.00 O ATOM 733 CB LEU A 47 -3.484 3.983 4.058 1.00 0.00 C ATOM 734 CG LEU A 47 -3.305 2.462 3.952 1.00 0.00 C ATOM 735 CD1 LEU A 47 -1.802 2.198 3.869 1.00 0.00 C ATOM 736 CD2 LEU A 47 -3.894 1.708 5.151 1.00 0.00 C ATOM 0 H LEU A 47 -5.122 4.821 2.012 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.524 3.910 4.788 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.961 4.453 3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.001 4.327 4.973 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.838 2.101 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.625 1.125 3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.393 2.697 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.315 2.583 4.765 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.738 0.637 5.020 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.401 2.038 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.962 1.913 5.220 1.00 0.00 H new ATOM 748 N SER A 48 -4.940 6.218 5.738 1.00 0.00 N ATOM 749 CA SER A 48 -4.907 7.567 6.267 1.00 0.00 C ATOM 750 C SER A 48 -3.524 8.200 6.099 1.00 0.00 C ATOM 751 O SER A 48 -2.517 7.497 5.962 1.00 0.00 O ATOM 752 CB SER A 48 -5.287 7.534 7.749 1.00 0.00 C ATOM 753 OG SER A 48 -6.331 6.606 7.998 1.00 0.00 O ATOM 0 H SER A 48 -4.957 5.496 6.458 1.00 0.00 H new ATOM 0 HA SER A 48 -5.621 8.174 5.710 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.413 7.268 8.344 1.00 0.00 H new ATOM 0 HB3 SER A 48 -5.599 8.528 8.068 1.00 0.00 H new ATOM 0 HG SER A 48 -6.549 6.608 8.953 1.00 0.00 H new ATOM 759 N GLN A 49 -3.502 9.532 6.170 1.00 0.00 N ATOM 760 CA GLN A 49 -2.349 10.407 6.028 1.00 0.00 C ATOM 761 C GLN A 49 -1.120 9.826 6.716 1.00 0.00 C ATOM 762 O GLN A 49 -0.117 9.585 6.044 1.00 0.00 O ATOM 763 CB GLN A 49 -2.684 11.813 6.567 1.00 0.00 C ATOM 764 CG GLN A 49 -1.520 12.801 6.351 1.00 0.00 C ATOM 765 CD GLN A 49 -1.879 14.229 6.759 1.00 0.00 C ATOM 766 OE1 GLN A 49 -2.776 14.843 6.192 1.00 0.00 O ATOM 767 NE2 GLN A 49 -1.184 14.810 7.718 1.00 0.00 N ATOM 0 H GLN A 49 -4.357 10.062 6.341 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.109 10.491 4.968 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.578 12.190 6.069 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.914 11.749 7.631 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.655 12.469 6.926 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.228 12.789 5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.438 14.298 8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.393 15.771 7.989 1.00 0.00 H new ATOM 776 N GLY A 50 -1.179 9.640 8.032 1.00 0.00 N ATOM 777 CA GLY A 50 -0.026 9.326 8.850 1.00 0.00 C ATOM 778 C GLY A 50 0.293 7.842 8.863 1.00 0.00 C ATOM 779 O GLY A 50 1.460 7.485 9.038 1.00 0.00 O ATOM 0 H GLY A 50 -2.048 9.706 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.839 9.877 8.479 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.206 9.664 9.870 1.00 0.00 H new ATOM 783 N SER A 51 -0.705 6.984 8.633 1.00 0.00 N ATOM 784 CA SER A 51 -0.492 5.564 8.408 1.00 0.00 C ATOM 785 C SER A 51 0.450 5.406 7.213 1.00 0.00 C ATOM 786 O SER A 51 1.509 4.796 7.335 1.00 0.00 O ATOM 787 CB SER A 51 -1.831 4.850 8.164 1.00 0.00 C ATOM 788 OG SER A 51 -2.827 5.249 9.089 1.00 0.00 O ATOM 0 H SER A 51 -1.686 7.263 8.599 1.00 0.00 H new ATOM 0 HA SER A 51 -0.041 5.105 9.288 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.173 5.060 7.151 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.684 3.772 8.234 1.00 0.00 H new ATOM 0 HG SER A 51 -3.662 4.773 8.897 1.00 0.00 H new ATOM 794 N VAL A 52 0.078 5.977 6.064 1.00 0.00 N ATOM 795 CA VAL A 52 0.866 5.905 4.849 1.00 0.00 C ATOM 796 C VAL A 52 2.191 6.659 4.998 1.00 0.00 C ATOM 797 O VAL A 52 3.191 6.202 4.454 1.00 0.00 O ATOM 798 CB VAL A 52 -0.018 6.388 3.674 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.353 7.754 3.089 1.00 0.00 C ATOM 800 CG2 VAL A 52 -0.010 5.331 2.584 1.00 0.00 C ATOM 0 H VAL A 52 -0.788 6.505 5.959 1.00 0.00 H new ATOM 0 HA VAL A 52 1.166 4.879 4.637 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.016 6.530 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.327 7.997 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.276 8.515 3.865 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.375 7.723 2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.630 5.662 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.011 5.175 2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.405 4.396 2.981 1.00 0.00 H new ATOM 810 N SER A 53 2.214 7.774 5.738 1.00 0.00 N ATOM 811 CA SER A 53 3.408 8.578 5.960 1.00 0.00 C ATOM 812 C SER A 53 4.485 7.724 6.620 1.00 0.00 C ATOM 813 O SER A 53 5.635 7.703 6.171 1.00 0.00 O ATOM 814 CB SER A 53 3.028 9.772 6.844 1.00 0.00 C ATOM 815 OG SER A 53 3.960 10.830 6.798 1.00 0.00 O ATOM 0 H SER A 53 1.386 8.144 6.205 1.00 0.00 H new ATOM 0 HA SER A 53 3.807 8.946 5.015 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.052 10.146 6.535 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.928 9.432 7.875 1.00 0.00 H new ATOM 0 HG SER A 53 3.658 11.558 7.381 1.00 0.00 H new ATOM 821 N ASP A 54 4.105 6.987 7.670 1.00 0.00 N ATOM 822 CA ASP A 54 5.013 6.070 8.340 1.00 0.00 C ATOM 823 C ASP A 54 5.487 5.005 7.369 1.00 0.00 C ATOM 824 O ASP A 54 6.682 4.745 7.271 1.00 0.00 O ATOM 825 CB ASP A 54 4.351 5.406 9.554 1.00 0.00 C ATOM 826 CG ASP A 54 5.431 4.978 10.535 1.00 0.00 C ATOM 827 OD1 ASP A 54 6.147 5.871 11.050 1.00 0.00 O ATOM 828 OD2 ASP A 54 5.590 3.765 10.795 1.00 0.00 O ATOM 0 H ASP A 54 3.167 7.014 8.071 1.00 0.00 H new ATOM 0 HA ASP A 54 5.866 6.648 8.695 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.661 6.101 10.033 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.766 4.542 9.238 1.00 0.00 H new ATOM 833 N MET A 55 4.548 4.449 6.608 1.00 0.00 N ATOM 834 CA MET A 55 4.763 3.349 5.680 1.00 0.00 C ATOM 835 C MET A 55 5.804 3.695 4.620 1.00 0.00 C ATOM 836 O MET A 55 6.814 3.008 4.506 1.00 0.00 O ATOM 837 CB MET A 55 3.421 2.957 5.040 1.00 0.00 C ATOM 838 CG MET A 55 3.203 1.454 5.162 1.00 0.00 C ATOM 839 SD MET A 55 1.540 0.816 4.814 1.00 0.00 S ATOM 840 CE MET A 55 0.625 1.422 6.244 1.00 0.00 C ATOM 0 H MET A 55 3.579 4.767 6.624 1.00 0.00 H new ATOM 0 HA MET A 55 5.159 2.498 6.234 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.606 3.491 5.528 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.410 3.250 3.990 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.901 0.957 4.488 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.472 1.157 6.176 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.388 1.019 6.225 1.00 0.00 H new ATOM 0 HE2 MET A 55 1.125 1.103 7.158 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.583 2.511 6.215 1.00 0.00 H new ATOM 850 N LEU A 56 5.555 4.745 3.837 1.00 0.00 N ATOM 851 CA LEU A 56 6.475 5.222 2.814 1.00 0.00 C ATOM 852 C LEU A 56 7.836 5.611 3.383 1.00 0.00 C ATOM 853 O LEU A 56 8.836 5.420 2.700 1.00 0.00 O ATOM 854 CB LEU A 56 5.895 6.438 2.080 1.00 0.00 C ATOM 855 CG LEU A 56 4.629 6.173 1.239 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.344 7.373 0.330 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.767 4.933 0.347 1.00 0.00 C ATOM 0 H LEU A 56 4.697 5.293 3.899 1.00 0.00 H new ATOM 0 HA LEU A 56 6.611 4.390 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.664 7.208 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.665 6.845 1.425 1.00 0.00 H new ATOM 0 HG LEU A 56 3.816 6.009 1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.449 7.178 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.189 8.263 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.191 7.533 -0.337 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.849 4.791 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.603 5.069 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.947 4.056 0.969 1.00 0.00 H new ATOM 869 N SER A 57 7.883 6.186 4.590 1.00 0.00 N ATOM 870 CA SER A 57 9.150 6.567 5.190 1.00 0.00 C ATOM 871 C SER A 57 9.933 5.314 5.590 1.00 0.00 C ATOM 872 O SER A 57 11.063 5.110 5.142 1.00 0.00 O ATOM 873 CB SER A 57 8.863 7.395 6.444 1.00 0.00 C ATOM 874 OG SER A 57 8.166 8.597 6.185 1.00 0.00 O ATOM 0 H SER A 57 7.063 6.393 5.160 1.00 0.00 H new ATOM 0 HA SER A 57 9.737 7.144 4.475 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.282 6.792 7.142 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.806 7.631 6.936 1.00 0.00 H new ATOM 0 HG SER A 57 7.252 8.390 5.899 1.00 0.00 H new ATOM 880 N ARG A 58 9.310 4.439 6.377 1.00 0.00 N ATOM 881 CA ARG A 58 9.910 3.283 7.021 1.00 0.00 C ATOM 882 C ARG A 58 8.957 2.091 6.863 1.00 0.00 C ATOM 883 O ARG A 58 8.182 1.768 7.770 1.00 0.00 O ATOM 884 CB ARG A 58 10.277 3.588 8.487 1.00 0.00 C ATOM 885 CG ARG A 58 9.188 4.180 9.401 1.00 0.00 C ATOM 886 CD ARG A 58 9.507 3.892 10.879 1.00 0.00 C ATOM 887 NE ARG A 58 8.272 3.865 11.667 1.00 0.00 N ATOM 888 CZ ARG A 58 8.055 3.268 12.837 1.00 0.00 C ATOM 889 NH1 ARG A 58 9.049 2.778 13.570 1.00 0.00 N ATOM 890 NH2 ARG A 58 6.807 3.183 13.270 1.00 0.00 N ATOM 0 H ARG A 58 8.317 4.527 6.591 1.00 0.00 H new ATOM 0 HA ARG A 58 10.854 3.026 6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.627 2.662 8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.120 4.279 8.483 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.117 5.256 9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.218 3.755 9.143 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.024 2.937 10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.179 4.656 11.269 1.00 0.00 H new ATOM 0 HE ARG A 58 7.478 4.367 11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.011 2.854 13.240 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.850 2.326 14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.046 3.569 12.711 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.606 2.732 14.162 1.00 0.00 H new ATOM 904 N PRO A 59 8.983 1.402 5.719 1.00 0.00 N ATOM 905 CA PRO A 59 8.116 0.258 5.532 1.00 0.00 C ATOM 906 C PRO A 59 8.540 -0.885 6.448 1.00 0.00 C ATOM 907 O PRO A 59 9.674 -0.933 6.926 1.00 0.00 O ATOM 908 CB PRO A 59 8.197 -0.072 4.046 1.00 0.00 C ATOM 909 CG PRO A 59 9.479 0.576 3.535 1.00 0.00 C ATOM 910 CD PRO A 59 9.770 1.699 4.531 1.00 0.00 C ATOM 0 HA PRO A 59 7.079 0.454 5.805 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.216 -1.150 3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.327 0.313 3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.298 -0.142 3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.350 0.966 2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.833 1.743 4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.496 2.669 4.115 1.00 0.00 H new ATOM 918 N LYS A 60 7.638 -1.834 6.680 1.00 0.00 N ATOM 919 CA LYS A 60 8.006 -3.129 7.228 1.00 0.00 C ATOM 920 C LYS A 60 8.668 -3.952 6.126 1.00 0.00 C ATOM 921 O LYS A 60 8.377 -3.707 4.951 1.00 0.00 O ATOM 922 CB LYS A 60 6.753 -3.884 7.691 1.00 0.00 C ATOM 923 CG LYS A 60 6.171 -3.449 9.043 1.00 0.00 C ATOM 924 CD LYS A 60 7.059 -3.879 10.221 1.00 0.00 C ATOM 925 CE LYS A 60 6.271 -3.951 11.531 1.00 0.00 C ATOM 926 NZ LYS A 60 5.736 -2.640 11.928 1.00 0.00 N ATOM 0 H LYS A 60 6.641 -1.726 6.494 1.00 0.00 H new ATOM 0 HA LYS A 60 8.679 -2.980 8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.981 -3.768 6.931 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.991 -4.946 7.744 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.054 -2.365 9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.176 -3.878 9.164 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.499 -4.853 10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.883 -3.174 10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.450 -4.659 11.421 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.917 -4.333 12.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 5.239 -2.729 12.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.518 -1.961 12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 5.073 -2.302 11.202 1.00 0.00 H new ATOM 940 N PRO A 61 9.484 -4.961 6.473 1.00 0.00 N ATOM 941 CA PRO A 61 9.850 -6.004 5.536 1.00 0.00 C ATOM 942 C PRO A 61 8.596 -6.721 5.034 1.00 0.00 C ATOM 943 O PRO A 61 7.591 -6.819 5.746 1.00 0.00 O ATOM 944 CB PRO A 61 10.759 -6.979 6.285 1.00 0.00 C ATOM 945 CG PRO A 61 10.841 -6.487 7.729 1.00 0.00 C ATOM 946 CD PRO A 61 9.968 -5.238 7.808 1.00 0.00 C ATOM 0 HA PRO A 61 10.363 -5.589 4.669 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.357 -7.991 6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.749 -7.011 5.831 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.488 -7.252 8.421 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.871 -6.259 8.004 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.135 -5.395 8.493 1.00 0.00 H new ATOM 0 HD3 PRO A 61 10.541 -4.393 8.191 1.00 0.00 H new ATOM 954 N TRP A 62 8.689 -7.316 3.849 1.00 0.00 N ATOM 955 CA TRP A 62 7.601 -8.078 3.263 1.00 0.00 C ATOM 956 C TRP A 62 7.291 -9.314 4.107 1.00 0.00 C ATOM 957 O TRP A 62 6.125 -9.584 4.406 1.00 0.00 O ATOM 958 CB TRP A 62 7.969 -8.465 1.833 1.00 0.00 C ATOM 959 CG TRP A 62 6.868 -9.156 1.109 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.652 -10.486 1.134 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.774 -8.587 0.336 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.601 -10.792 0.302 1.00 0.00 N ATOM 963 CE2 TRP A 62 5.007 -9.657 -0.191 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.336 -7.283 0.037 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.894 -9.443 -1.003 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.206 -7.052 -0.772 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.487 -8.137 -1.298 1.00 0.00 C ATOM 0 H TRP A 62 9.527 -7.281 3.268 1.00 0.00 H new ATOM 0 HA TRP A 62 6.701 -7.464 3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.250 -7.568 1.282 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.845 -9.114 1.853 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.216 -11.200 1.716 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.301 -11.741 0.080 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.879 -6.440 0.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.347 -10.284 -1.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 3.893 -6.041 -0.987 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.625 -7.965 -1.926 1.00 0.00 H new ATOM 978 N SER A 63 8.319 -10.058 4.531 1.00 0.00 N ATOM 979 CA SER A 63 8.138 -11.252 5.343 1.00 0.00 C ATOM 980 C SER A 63 7.428 -10.941 6.664 1.00 0.00 C ATOM 981 O SER A 63 6.676 -11.787 7.146 1.00 0.00 O ATOM 982 CB SER A 63 9.489 -11.938 5.578 1.00 0.00 C ATOM 983 OG SER A 63 9.851 -12.697 4.438 1.00 0.00 O ATOM 0 H SER A 63 9.294 -9.845 4.318 1.00 0.00 H new ATOM 0 HA SER A 63 7.492 -11.939 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.255 -11.190 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.430 -12.586 6.453 1.00 0.00 H new ATOM 0 HG SER A 63 10.716 -13.131 4.595 1.00 0.00 H new ATOM 989 N LYS A 64 7.606 -9.745 7.233 1.00 0.00 N ATOM 990 CA LYS A 64 6.913 -9.322 8.438 1.00 0.00 C ATOM 991 C LYS A 64 5.401 -9.236 8.265 1.00 0.00 C ATOM 992 O LYS A 64 4.659 -9.501 9.215 1.00 0.00 O ATOM 993 CB LYS A 64 7.460 -7.943 8.827 1.00 0.00 C ATOM 994 CG LYS A 64 7.987 -7.945 10.252 1.00 0.00 C ATOM 995 CD LYS A 64 6.850 -8.250 11.246 1.00 0.00 C ATOM 996 CE LYS A 64 7.196 -7.819 12.663 1.00 0.00 C ATOM 997 NZ LYS A 64 8.293 -8.608 13.253 1.00 0.00 N ATOM 0 H LYS A 64 8.243 -9.041 6.861 1.00 0.00 H new ATOM 0 HA LYS A 64 7.091 -10.068 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.258 -7.658 8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.673 -7.195 8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.776 -8.690 10.353 1.00 0.00 H new ATOM 0 HG3 LYS A 64 8.431 -6.977 10.484 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.942 -7.740 10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.637 -9.319 11.235 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.475 -6.765 12.659 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.310 -7.911 13.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.484 -8.270 14.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.021 -9.611 13.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.149 -8.501 12.672 1.00 0.00 H new ATOM 1011 N LEU A 65 4.953 -8.767 7.104 1.00 0.00 N ATOM 1012 CA LEU A 65 3.563 -8.411 6.875 1.00 0.00 C ATOM 1013 C LEU A 65 2.802 -9.675 6.495 1.00 0.00 C ATOM 1014 O LEU A 65 3.330 -10.481 5.728 1.00 0.00 O ATOM 1015 CB LEU A 65 3.493 -7.375 5.742 1.00 0.00 C ATOM 1016 CG LEU A 65 4.153 -6.025 6.087 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.456 -5.255 4.805 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.234 -5.179 6.974 1.00 0.00 C ATOM 0 H LEU A 65 5.552 -8.623 6.291 1.00 0.00 H new ATOM 0 HA LEU A 65 3.118 -7.978 7.771 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.975 -7.788 4.856 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.448 -7.202 5.485 1.00 0.00 H new ATOM 0 HG LEU A 65 5.078 -6.227 6.628 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.922 -4.302 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.134 -5.838 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.529 -5.074 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.722 -4.232 7.204 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.298 -4.988 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.028 -5.715 7.900 1.00 0.00 H new ATOM 1030 N THR A 66 1.562 -9.833 6.957 1.00 0.00 N ATOM 1031 CA THR A 66 0.661 -10.837 6.388 1.00 0.00 C ATOM 1032 C THR A 66 -0.052 -10.249 5.168 1.00 0.00 C ATOM 1033 O THR A 66 0.067 -9.050 4.923 1.00 0.00 O ATOM 1034 CB THR A 66 -0.340 -11.328 7.438 1.00 0.00 C ATOM 1035 OG1 THR A 66 -1.300 -10.345 7.778 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.338 -11.864 8.703 1.00 0.00 C ATOM 0 H THR A 66 1.160 -9.284 7.717 1.00 0.00 H new ATOM 0 HA THR A 66 1.243 -11.702 6.068 1.00 0.00 H new ATOM 0 HB THR A 66 -0.862 -12.159 6.963 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.916 -10.707 8.449 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.422 -12.197 9.410 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.984 -12.703 8.442 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.935 -11.074 9.158 1.00 0.00 H new ATOM 1044 N GLN A 67 -0.861 -11.030 4.443 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.631 -10.541 3.297 1.00 0.00 C ATOM 1046 C GLN A 67 -2.432 -9.272 3.641 1.00 0.00 C ATOM 1047 O GLN A 67 -2.355 -8.284 2.912 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.534 -11.654 2.741 1.00 0.00 C ATOM 1049 CG GLN A 67 -1.736 -12.833 2.145 1.00 0.00 C ATOM 1050 CD GLN A 67 -2.642 -13.854 1.450 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -3.706 -13.520 0.941 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -2.270 -15.119 1.395 1.00 0.00 N ATOM 0 H GLN A 67 -0.999 -12.022 4.636 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.925 -10.258 2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.179 -12.024 3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.185 -11.237 1.973 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.007 -12.451 1.430 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.176 -13.328 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.387 -15.410 1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.866 -15.806 0.933 1.00 0.00 H new ATOM 1061 N LYS A 68 -3.121 -9.237 4.788 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.885 -8.066 5.237 1.00 0.00 C ATOM 1063 C LYS A 68 -2.998 -6.831 5.427 1.00 0.00 C ATOM 1064 O LYS A 68 -3.442 -5.706 5.219 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.640 -8.425 6.528 1.00 0.00 C ATOM 1066 CG LYS A 68 -6.010 -7.752 6.667 1.00 0.00 C ATOM 1067 CD LYS A 68 -6.035 -6.341 7.252 1.00 0.00 C ATOM 1068 CE LYS A 68 -7.511 -5.968 7.416 1.00 0.00 C ATOM 1069 NZ LYS A 68 -7.713 -4.733 8.192 1.00 0.00 N ATOM 0 H LYS A 68 -3.165 -10.025 5.435 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.603 -7.801 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.774 -9.506 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.024 -8.148 7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.472 -7.718 5.680 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.638 -8.388 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.517 -6.309 8.211 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.528 -5.638 6.592 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.961 -5.848 6.430 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.034 -6.788 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.731 -4.534 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.311 -4.851 9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.240 -3.941 7.713 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.744 -7.024 5.831 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.769 -5.952 5.968 1.00 0.00 C ATOM 1085 C GLY A 69 -0.133 -5.563 4.632 1.00 0.00 C ATOM 1086 O GLY A 69 0.363 -4.443 4.509 1.00 0.00 O ATOM 0 H GLY A 69 -1.375 -7.943 6.075 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.254 -5.078 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.012 -6.263 6.662 1.00 0.00 H new ATOM 1090 N ARG A 70 -0.120 -6.469 3.646 1.00 0.00 N ATOM 1091 CA ARG A 70 0.503 -6.289 2.332 1.00 0.00 C ATOM 1092 C ARG A 70 -0.427 -5.608 1.335 1.00 0.00 C ATOM 1093 O ARG A 70 0.080 -5.061 0.361 1.00 0.00 O ATOM 1094 CB ARG A 70 0.928 -7.649 1.748 1.00 0.00 C ATOM 1095 CG ARG A 70 2.059 -8.326 2.532 1.00 0.00 C ATOM 1096 CD ARG A 70 2.146 -9.794 2.157 1.00 0.00 C ATOM 1097 NE ARG A 70 3.151 -10.491 2.958 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.728 -11.652 2.648 1.00 0.00 C ATOM 1099 NH1 ARG A 70 3.307 -12.359 1.601 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.746 -12.070 3.391 1.00 0.00 N ATOM 0 H ARG A 70 -0.561 -7.383 3.748 1.00 0.00 H new ATOM 0 HA ARG A 70 1.372 -5.649 2.488 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.063 -8.313 1.727 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.247 -7.508 0.715 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.007 -7.831 2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.881 -8.226 3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.174 -10.266 2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.393 -9.887 1.099 1.00 0.00 H new ATOM 0 HE ARG A 70 3.436 -10.049 3.832 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.537 -12.013 1.029 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.755 -13.246 1.371 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.069 -11.506 4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 70 5.205 -12.955 3.175 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.746 -5.605 1.555 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.731 -4.956 0.684 1.00 0.00 C ATOM 1116 C GLU A 71 -2.278 -3.587 0.150 1.00 0.00 C ATOM 1117 O GLU A 71 -2.275 -3.403 -1.068 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.080 -4.805 1.399 1.00 0.00 C ATOM 1119 CG GLU A 71 -4.877 -6.106 1.484 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.323 -5.840 1.078 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -7.049 -5.140 1.815 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.736 -6.362 0.016 1.00 0.00 O ATOM 0 H GLU A 71 -2.168 -6.064 2.362 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.836 -5.616 -0.177 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.907 -4.428 2.407 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.677 -4.057 0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.437 -6.859 0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.839 -6.503 2.498 1.00 0.00 H new ATOM 1129 N PRO A 72 -1.900 -2.612 0.999 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.500 -1.305 0.504 1.00 0.00 C ATOM 1131 C PRO A 72 -0.240 -1.441 -0.361 1.00 0.00 C ATOM 1132 O PRO A 72 -0.224 -0.957 -1.487 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.365 -0.428 1.754 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.026 -1.423 2.861 1.00 0.00 C ATOM 1135 CD PRO A 72 -1.818 -2.656 2.454 1.00 0.00 C ATOM 0 HA PRO A 72 -2.218 -0.834 -0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -0.582 0.320 1.635 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.289 0.109 1.968 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.044 -1.626 2.909 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.325 -1.055 3.842 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.324 -3.567 2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -2.812 -2.648 2.902 1.00 0.00 H new ATOM 1143 N PHE A 73 0.774 -2.189 0.072 1.00 0.00 N ATOM 1144 CA PHE A 73 1.992 -2.378 -0.707 1.00 0.00 C ATOM 1145 C PHE A 73 1.724 -3.039 -2.058 1.00 0.00 C ATOM 1146 O PHE A 73 2.429 -2.764 -3.019 1.00 0.00 O ATOM 1147 CB PHE A 73 2.980 -3.228 0.084 1.00 0.00 C ATOM 1148 CG PHE A 73 3.556 -2.537 1.302 1.00 0.00 C ATOM 1149 CD1 PHE A 73 4.617 -1.631 1.137 1.00 0.00 C ATOM 1150 CD2 PHE A 73 3.034 -2.767 2.591 1.00 0.00 C ATOM 1151 CE1 PHE A 73 5.186 -0.996 2.248 1.00 0.00 C ATOM 1152 CE2 PHE A 73 3.598 -2.120 3.706 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.697 -1.260 3.538 1.00 0.00 C ATOM 0 H PHE A 73 0.773 -2.677 0.967 1.00 0.00 H new ATOM 0 HA PHE A 73 2.409 -1.390 -0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.482 -4.144 0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.798 -3.522 -0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.996 -1.423 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.200 -3.441 2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.002 -0.302 2.113 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.186 -2.284 4.691 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.164 -0.804 4.398 1.00 0.00 H new ATOM 1163 N ILE A 74 0.736 -3.918 -2.165 1.00 0.00 N ATOM 1164 CA ILE A 74 0.343 -4.542 -3.420 1.00 0.00 C ATOM 1165 C ILE A 74 -0.245 -3.486 -4.354 1.00 0.00 C ATOM 1166 O ILE A 74 0.169 -3.402 -5.509 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.625 -5.696 -3.088 1.00 0.00 C ATOM 1168 CG1 ILE A 74 0.171 -6.880 -2.499 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.438 -6.137 -4.303 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -0.698 -7.887 -1.740 1.00 0.00 C ATOM 0 H ILE A 74 0.176 -4.222 -1.368 1.00 0.00 H new ATOM 0 HA ILE A 74 1.193 -4.968 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.341 -5.335 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.689 -7.396 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.936 -6.493 -1.826 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.104 -6.951 -4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.027 -5.297 -4.671 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.763 -6.478 -5.088 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.071 -8.691 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.196 -7.385 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.447 -8.302 -2.414 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.153 -2.637 -3.871 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.666 -1.528 -4.652 1.00 0.00 C ATOM 1184 C ARG A 75 -0.541 -0.574 -5.022 1.00 0.00 C ATOM 1185 O ARG A 75 -0.597 0.023 -6.093 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.742 -0.829 -3.824 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.999 -1.689 -3.706 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.040 -1.018 -2.813 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.069 -2.004 -2.472 1.00 0.00 N ATOM 1190 CZ ARG A 75 -6.834 -2.027 -1.382 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -6.848 -1.036 -0.495 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -7.579 -3.093 -1.162 1.00 0.00 N ATOM 0 H ARG A 75 -1.547 -2.704 -2.933 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.100 -1.885 -5.586 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.354 -0.611 -2.829 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.994 0.126 -4.284 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.421 -1.861 -4.696 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.739 -2.665 -3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.570 -0.633 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.487 -0.167 -3.327 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.216 -2.757 -3.144 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.257 -0.217 -0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.450 -1.095 0.326 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.560 -3.873 -1.819 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.174 -3.137 -0.335 1.00 0.00 H new ATOM 1206 N MET A 76 0.475 -0.416 -4.174 1.00 0.00 N ATOM 1207 CA MET A 76 1.665 0.366 -4.460 1.00 0.00 C ATOM 1208 C MET A 76 2.428 -0.240 -5.647 1.00 0.00 C ATOM 1209 O MET A 76 2.768 0.487 -6.578 1.00 0.00 O ATOM 1210 CB MET A 76 2.526 0.448 -3.184 1.00 0.00 C ATOM 1211 CG MET A 76 2.961 1.870 -2.877 1.00 0.00 C ATOM 1212 SD MET A 76 4.281 2.058 -1.641 1.00 0.00 S ATOM 1213 CE MET A 76 3.376 1.601 -0.160 1.00 0.00 C ATOM 0 H MET A 76 0.488 -0.841 -3.247 1.00 0.00 H new ATOM 0 HA MET A 76 1.393 1.381 -4.750 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.961 0.052 -2.340 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.407 -0.183 -3.301 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.293 2.335 -3.806 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.090 2.428 -2.535 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.065 1.182 0.573 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.894 2.484 0.259 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.618 0.859 -0.411 1.00 0.00 H new ATOM 1223 N GLN A 77 2.667 -1.561 -5.632 1.00 0.00 N ATOM 1224 CA GLN A 77 3.359 -2.284 -6.702 1.00 0.00 C ATOM 1225 C GLN A 77 2.621 -2.123 -8.017 1.00 0.00 C ATOM 1226 O GLN A 77 3.255 -1.898 -9.039 1.00 0.00 O ATOM 1227 CB GLN A 77 3.460 -3.793 -6.423 1.00 0.00 C ATOM 1228 CG GLN A 77 4.419 -4.146 -5.291 1.00 0.00 C ATOM 1229 CD GLN A 77 4.283 -5.591 -4.836 1.00 0.00 C ATOM 1230 OE1 GLN A 77 4.872 -6.510 -5.391 1.00 0.00 O ATOM 1231 NE2 GLN A 77 3.540 -5.826 -3.770 1.00 0.00 N ATOM 0 H GLN A 77 2.378 -2.164 -4.861 1.00 0.00 H new ATOM 0 HA GLN A 77 4.360 -1.856 -6.752 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.469 -4.175 -6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.783 -4.300 -7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.443 -3.967 -5.619 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.235 -3.484 -4.445 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.051 -5.058 -3.310 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.455 -6.775 -3.406 1.00 0.00 H new ATOM 1240 N LEU A 78 1.300 -2.292 -8.001 1.00 0.00 N ATOM 1241 CA LEU A 78 0.495 -2.203 -9.204 1.00 0.00 C ATOM 1242 C LEU A 78 0.474 -0.786 -9.699 1.00 0.00 C ATOM 1243 O LEU A 78 0.815 -0.581 -10.854 1.00 0.00 O ATOM 1244 CB LEU A 78 -0.935 -2.717 -8.943 1.00 0.00 C ATOM 1245 CG LEU A 78 -1.008 -4.243 -8.756 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -2.327 -4.631 -8.087 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -0.872 -4.990 -10.090 1.00 0.00 C ATOM 0 H LEU A 78 0.766 -2.493 -7.156 1.00 0.00 H new ATOM 0 HA LEU A 78 0.939 -2.835 -9.973 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.332 -2.229 -8.053 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.575 -2.429 -9.777 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.172 -4.532 -8.119 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.366 -5.713 -7.960 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.396 -4.149 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.160 -4.308 -8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.929 -6.064 -9.913 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.678 -4.689 -10.759 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.088 -4.748 -10.546 1.00 0.00 H new ATOM 1259 N TRP A 79 0.125 0.185 -8.861 1.00 0.00 N ATOM 1260 CA TRP A 79 -0.040 1.561 -9.295 1.00 0.00 C ATOM 1261 C TRP A 79 1.182 2.076 -10.059 1.00 0.00 C ATOM 1262 O TRP A 79 1.010 2.853 -10.999 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.301 2.428 -8.065 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.179 3.901 -8.269 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.140 4.726 -8.739 1.00 0.00 C ATOM 1266 CD2 TRP A 79 1.025 4.715 -8.131 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.625 5.998 -8.857 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.704 6.049 -8.505 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.364 4.449 -7.769 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.656 7.076 -8.502 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.338 5.464 -7.809 1.00 0.00 C ATOM 1272 CH2 TRP A 79 2.986 6.773 -8.178 1.00 0.00 C ATOM 0 H TRP A 79 -0.050 0.038 -7.867 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.884 1.610 -9.984 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.305 2.213 -7.699 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.395 2.130 -7.280 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.151 4.435 -8.983 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.165 6.806 -9.168 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.644 3.454 -7.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.369 8.088 -8.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.362 5.235 -7.554 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.740 7.546 -8.212 1.00 0.00 H new ATOM 1283 N LEU A 80 2.385 1.621 -9.669 1.00 0.00 N ATOM 1284 CA LEU A 80 3.652 1.976 -10.299 1.00 0.00 C ATOM 1285 C LEU A 80 3.536 1.876 -11.817 1.00 0.00 C ATOM 1286 O LEU A 80 3.849 2.867 -12.481 1.00 0.00 O ATOM 1287 CB LEU A 80 4.816 1.104 -9.773 1.00 0.00 C ATOM 1288 CG LEU A 80 5.641 1.761 -8.649 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.332 0.679 -7.821 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.729 2.712 -9.171 1.00 0.00 C ATOM 0 H LEU A 80 2.497 0.979 -8.885 1.00 0.00 H new ATOM 0 HA LEU A 80 3.879 3.009 -10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.411 0.160 -9.407 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.480 0.865 -10.604 1.00 0.00 H new ATOM 0 HG LEU A 80 4.936 2.342 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.915 1.145 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.581 0.022 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.994 0.097 -8.463 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.272 3.140 -8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.421 2.159 -9.806 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.266 3.512 -9.749 1.00 0.00 H new ATOM 1302 N SER A 81 3.127 0.718 -12.363 1.00 0.00 N ATOM 1303 CA SER A 81 2.910 0.598 -13.808 1.00 0.00 C ATOM 1304 C SER A 81 1.434 0.778 -14.207 1.00 0.00 C ATOM 1305 O SER A 81 1.131 1.473 -15.176 1.00 0.00 O ATOM 1306 CB SER A 81 3.559 -0.698 -14.320 1.00 0.00 C ATOM 1307 OG SER A 81 4.387 -0.430 -15.434 1.00 0.00 O ATOM 0 H SER A 81 2.943 -0.134 -11.832 1.00 0.00 H new ATOM 0 HA SER A 81 3.409 1.425 -14.313 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.147 -1.156 -13.525 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.786 -1.414 -14.598 1.00 0.00 H new ATOM 0 HG SER A 81 4.794 -1.265 -15.747 1.00 0.00 H new ATOM 1313 N ASP A 82 0.514 0.155 -13.471 1.00 0.00 N ATOM 1314 CA ASP A 82 -0.907 -0.067 -13.788 1.00 0.00 C ATOM 1315 C ASP A 82 -1.737 1.218 -13.739 1.00 0.00 C ATOM 1316 O ASP A 82 -2.827 1.271 -14.297 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.458 -1.079 -12.771 1.00 0.00 C ATOM 1318 CG ASP A 82 -2.788 -1.749 -13.138 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -2.933 -2.324 -14.245 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.638 -1.846 -12.226 1.00 0.00 O ATOM 0 H ASP A 82 0.757 -0.242 -12.563 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.979 -0.440 -14.810 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.711 -1.858 -12.623 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.582 -0.571 -11.815 1.00 0.00 H new ATOM 1325 N GLN A 83 -1.227 2.268 -13.081 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.740 3.643 -13.102 1.00 0.00 C ATOM 1327 C GLN A 83 -3.266 3.741 -12.897 1.00 0.00 C ATOM 1328 O GLN A 83 -3.942 4.563 -13.517 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.227 4.361 -14.369 1.00 0.00 C ATOM 1330 CG GLN A 83 0.308 4.522 -14.389 1.00 0.00 C ATOM 1331 CD GLN A 83 0.837 5.873 -13.896 1.00 0.00 C ATOM 1332 OE1 GLN A 83 1.849 6.357 -14.398 1.00 0.00 O ATOM 1333 NE2 GLN A 83 0.261 6.492 -12.880 1.00 0.00 N ATOM 0 H GLN A 83 -0.402 2.175 -12.489 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.344 4.169 -12.234 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -1.540 3.800 -15.250 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.691 5.345 -14.436 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.746 3.734 -13.776 1.00 0.00 H new ATOM 0 HG3 GLN A 83 0.659 4.365 -15.409 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.579 6.101 -12.455 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.657 7.361 -12.522 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.816 2.901 -12.016 1.00 0.00 N ATOM 1343 CA LEU A 84 -5.196 2.903 -11.516 1.00 0.00 C ATOM 1344 C LEU A 84 -5.672 4.319 -11.188 1.00 0.00 C ATOM 1345 O LEU A 84 -6.433 4.954 -11.926 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.412 1.924 -10.324 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.161 1.612 -9.473 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -4.438 1.394 -7.992 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -3.507 0.355 -10.029 1.00 0.00 C ATOM 0 H LEU A 84 -3.269 2.146 -11.602 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.819 2.527 -12.328 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.178 2.341 -9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.804 0.986 -10.716 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.518 2.490 -9.538 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.503 1.181 -7.474 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.890 2.292 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.120 0.553 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.620 0.116 -9.442 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.211 -0.475 -9.977 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.220 0.523 -11.067 1.00 0.00 H new