USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 544 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 CYS SG : rot -19:sc= -5.64! USER MOD Set 1.2: A 17 CYS SG : rot 60:sc= -4.54! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -125:sc= -1.3 (180deg=-3.61!) USER MOD Single : A 13 THR OG1 : rot 66:sc= 1.04 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.09 K(o=1.1,f=-0.0059) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0865) USER MOD Single : A 33 ASN : amide:sc= 1.22 K(o=1.2,f=-0.095) USER MOD Single : A 37 ASN : amide:sc= -1.03! K(o=-1!,f=-0.22) USER MOD Single : A 42 THR OG1 : rot 22:sc= 0.421 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 168:sc= 0.0204 USER MOD Single : A 48 ASN : amide:sc= 1.17 K(o=1.2,f=-1.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 108:sc= 1.29 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0723 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 1.11 (180deg=0.961) USER MOD Single : A 63 LYS NZ :NH3+ -167:sc= -0.0208 (180deg=-0.202) USER MOD Single : A 66 TYR OH : rot -128:sc= 0.87 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= 0.947 (180deg=0.665) USER MOD Single : A 71 LYS NZ :NH3+ 138:sc= 1.13 (180deg=0.926) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.924 13.079 4.869 1.00 10.00 N ATOM 35 CA GLU A 3 2.975 13.064 3.428 1.00 10.00 C ATOM 36 C GLU A 3 1.882 12.091 3.011 1.00 10.00 C ATOM 37 O GLU A 3 1.532 11.177 3.762 1.00 10.00 O ATOM 38 CB GLU A 3 4.356 12.625 2.923 1.00 10.00 C ATOM 39 CG GLU A 3 4.624 11.136 3.183 1.00 10.00 C ATOM 40 CD GLU A 3 6.057 10.743 2.882 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.558 11.151 1.814 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.628 10.037 3.738 1.00 10.00 O ATOM 0 HA GLU A 3 2.817 14.054 3.000 1.00 10.00 H new ATOM 0 HB2 GLU A 3 4.430 12.824 1.854 1.00 10.00 H new ATOM 0 HB3 GLU A 3 5.126 13.222 3.412 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.399 10.906 4.224 1.00 10.00 H new ATOM 0 HG3 GLU A 3 3.950 10.537 2.571 1.00 10.00 H new ATOM 49 N LYS A 4 1.354 12.324 1.819 1.00 10.00 N ATOM 50 CA LYS A 4 0.420 11.462 1.117 1.00 10.00 C ATOM 51 C LYS A 4 1.177 10.948 -0.099 1.00 10.00 C ATOM 52 O LYS A 4 1.800 11.736 -0.805 1.00 10.00 O ATOM 53 CB LYS A 4 -0.832 12.247 0.730 1.00 10.00 C ATOM 54 CG LYS A 4 -1.562 12.704 2.003 1.00 10.00 C ATOM 55 CD LYS A 4 -2.537 13.851 1.730 1.00 10.00 C ATOM 56 CE LYS A 4 -3.068 14.381 3.072 1.00 10.00 C ATOM 57 NZ LYS A 4 -4.014 15.498 2.891 1.00 10.00 N ATOM 0 H LYS A 4 1.579 13.166 1.288 1.00 10.00 H new ATOM 0 HA LYS A 4 0.073 10.631 1.731 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.560 13.111 0.124 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.491 11.626 0.123 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -2.106 11.861 2.430 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -0.830 13.021 2.746 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -2.037 14.649 1.181 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -3.362 13.505 1.108 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.561 13.572 3.611 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -2.231 14.711 3.688 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -4.347 15.825 3.820 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -3.537 16.281 2.399 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -4.826 15.177 2.325 1.00 10.00 H new ATOM 71 N ALA A 5 1.148 9.636 -0.304 1.00 10.00 N ATOM 72 CA ALA A 5 1.857 8.916 -1.348 1.00 10.00 C ATOM 73 C ALA A 5 0.840 7.983 -1.991 1.00 10.00 C ATOM 74 O ALA A 5 -0.003 7.441 -1.278 1.00 10.00 O ATOM 75 CB ALA A 5 3.017 8.146 -0.720 1.00 10.00 C ATOM 0 H ALA A 5 0.598 9.014 0.288 1.00 10.00 H new ATOM 0 HA ALA A 5 2.280 9.579 -2.103 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.555 7.602 -1.496 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.695 8.845 -0.230 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.630 7.441 0.015 1.00 10.00 H new ATOM 81 N GLU A 6 0.862 7.826 -3.314 1.00 10.00 N ATOM 82 CA GLU A 6 -0.179 7.121 -4.028 1.00 10.00 C ATOM 83 C GLU A 6 0.542 6.105 -4.882 1.00 10.00 C ATOM 84 O GLU A 6 1.544 6.448 -5.517 1.00 10.00 O ATOM 85 CB GLU A 6 -0.982 8.103 -4.882 1.00 10.00 C ATOM 86 CG GLU A 6 -2.214 7.461 -5.530 1.00 10.00 C ATOM 87 CD GLU A 6 -2.785 8.311 -6.662 1.00 10.00 C ATOM 88 OE1 GLU A 6 -1.967 8.820 -7.459 1.00 10.00 O ATOM 89 OE2 GLU A 6 -4.028 8.400 -6.734 1.00 10.00 O ATOM 0 H GLU A 6 1.605 8.187 -3.912 1.00 10.00 H new ATOM 0 HA GLU A 6 -0.891 6.637 -3.360 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.299 8.941 -4.261 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.338 8.510 -5.662 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -1.947 6.478 -5.917 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.982 7.307 -4.772 1.00 10.00 H new ATOM 96 N PHE A 7 0.055 4.867 -4.850 1.00 10.00 N ATOM 97 CA PHE A 7 0.660 3.730 -5.503 1.00 10.00 C ATOM 98 C PHE A 7 -0.374 2.964 -6.308 1.00 10.00 C ATOM 99 O PHE A 7 -1.527 2.860 -5.899 1.00 10.00 O ATOM 100 CB PHE A 7 1.282 2.798 -4.470 1.00 10.00 C ATOM 101 CG PHE A 7 2.067 3.466 -3.360 1.00 10.00 C ATOM 102 CD1 PHE A 7 3.033 4.435 -3.678 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.887 3.083 -2.022 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.742 5.094 -2.666 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.617 3.728 -1.011 1.00 10.00 C ATOM 106 CZ PHE A 7 3.518 4.756 -1.324 1.00 10.00 C ATOM 0 H PHE A 7 -0.801 4.629 -4.349 1.00 10.00 H new ATOM 0 HA PHE A 7 1.435 4.098 -6.175 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.486 2.205 -4.019 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.943 2.103 -4.988 1.00 10.00 H new ATOM 0 HD1 PHE A 7 3.231 4.674 -4.713 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.191 2.296 -1.771 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.459 5.861 -2.919 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.483 3.429 0.018 1.00 10.00 H new ATOM 0 HZ PHE A 7 4.036 5.284 -0.537 1.00 10.00 H new ATOM 116 N ASP A 8 0.091 2.401 -7.418 1.00 10.00 N ATOM 117 CA ASP A 8 -0.638 1.641 -8.413 1.00 10.00 C ATOM 118 C ASP A 8 -0.462 0.191 -8.008 1.00 10.00 C ATOM 119 O ASP A 8 0.675 -0.161 -7.679 1.00 10.00 O ATOM 120 CB ASP A 8 0.081 1.884 -9.746 1.00 10.00 C ATOM 121 CG ASP A 8 -0.756 1.566 -10.968 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.219 0.416 -11.056 1.00 10.00 O ATOM 123 OD2 ASP A 8 -0.871 2.484 -11.818 1.00 10.00 O ATOM 0 H ASP A 8 1.079 2.475 -7.661 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.692 1.906 -8.495 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.392 2.928 -9.794 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.988 1.280 -9.773 1.00 10.00 H new ATOM 128 N ILE A 9 -1.521 -0.621 -7.970 1.00 10.00 N ATOM 129 CA ILE A 9 -1.378 -2.044 -7.673 1.00 10.00 C ATOM 130 C ILE A 9 -1.921 -2.882 -8.827 1.00 10.00 C ATOM 131 O ILE A 9 -2.937 -2.530 -9.415 1.00 10.00 O ATOM 132 CB ILE A 9 -2.018 -2.418 -6.324 1.00 10.00 C ATOM 133 CG1 ILE A 9 -1.636 -1.432 -5.209 1.00 10.00 C ATOM 134 CG2 ILE A 9 -1.509 -3.783 -5.864 1.00 10.00 C ATOM 135 CD1 ILE A 9 -2.703 -0.358 -5.048 1.00 10.00 C ATOM 0 H ILE A 9 -2.480 -0.318 -8.140 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.316 -2.266 -7.571 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.096 -2.408 -6.486 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -1.510 -1.970 -4.269 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.678 -0.967 -5.441 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -1.967 -4.039 -4.909 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -1.770 -4.538 -6.606 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -0.426 -3.747 -5.749 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -2.411 0.329 -4.253 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -2.809 0.193 -5.983 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -3.654 -0.825 -4.793 1.00 10.00 H new ATOM 147 N GLU A 10 -1.227 -3.982 -9.131 1.00 10.00 N ATOM 148 CA GLU A 10 -1.574 -4.935 -10.168 1.00 10.00 C ATOM 149 C GLU A 10 -1.838 -6.301 -9.519 1.00 10.00 C ATOM 150 O GLU A 10 -0.908 -6.954 -9.038 1.00 10.00 O ATOM 151 CB GLU A 10 -0.414 -5.063 -11.163 1.00 10.00 C ATOM 152 CG GLU A 10 0.079 -3.737 -11.781 1.00 10.00 C ATOM 153 CD GLU A 10 1.370 -3.900 -12.584 1.00 10.00 C ATOM 154 OE1 GLU A 10 1.393 -4.758 -13.490 1.00 10.00 O ATOM 155 OE2 GLU A 10 2.345 -3.167 -12.286 1.00 10.00 O ATOM 0 H GLU A 10 -0.373 -4.236 -8.635 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.464 -4.593 -10.696 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.424 -5.542 -10.658 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.722 -5.728 -11.970 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -0.698 -3.333 -12.430 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.241 -3.009 -10.986 1.00 10.00 H new ATOM 162 N GLY A 11 -3.099 -6.728 -9.541 1.00 10.00 N ATOM 163 CA GLY A 11 -3.570 -8.080 -9.253 1.00 10.00 C ATOM 164 C GLY A 11 -4.988 -8.105 -8.668 1.00 10.00 C ATOM 165 O GLY A 11 -5.911 -8.608 -9.308 1.00 10.00 O ATOM 0 H GLY A 11 -3.867 -6.099 -9.775 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.550 -8.670 -10.170 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.885 -8.557 -8.552 1.00 10.00 H new ATOM 169 N MET A 12 -5.128 -7.628 -7.425 1.00 10.00 N ATOM 170 CA MET A 12 -6.303 -7.555 -6.586 1.00 10.00 C ATOM 171 C MET A 12 -7.164 -8.774 -6.668 1.00 10.00 C ATOM 172 O MET A 12 -6.987 -9.711 -5.900 1.00 10.00 O ATOM 173 CB MET A 12 -7.066 -6.241 -6.795 1.00 10.00 C ATOM 174 CG MET A 12 -6.274 -5.113 -6.161 1.00 10.00 C ATOM 175 SD MET A 12 -6.126 -5.342 -4.385 1.00 10.00 S ATOM 176 CE MET A 12 -4.707 -4.318 -4.095 1.00 10.00 C ATOM 0 H MET A 12 -4.319 -7.242 -6.939 1.00 10.00 H new ATOM 0 HA MET A 12 -5.954 -7.542 -5.553 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.208 -6.052 -7.859 1.00 10.00 H new ATOM 0 HB3 MET A 12 -8.058 -6.305 -6.347 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.281 -5.066 -6.608 1.00 10.00 H new ATOM 0 HG3 MET A 12 -6.762 -4.161 -6.368 1.00 10.00 H new ATOM 0 HE1 MET A 12 -3.936 -4.899 -3.588 1.00 10.00 H new ATOM 0 HE2 MET A 12 -4.320 -3.954 -5.047 1.00 10.00 H new ATOM 0 HE3 MET A 12 -4.991 -3.471 -3.471 1.00 10.00 H new ATOM 186 N THR A 13 -8.113 -8.735 -7.583 1.00 10.00 N ATOM 187 CA THR A 13 -8.940 -9.842 -7.974 1.00 10.00 C ATOM 188 C THR A 13 -10.035 -10.053 -6.927 1.00 10.00 C ATOM 189 O THR A 13 -11.205 -10.153 -7.295 1.00 10.00 O ATOM 190 CB THR A 13 -8.028 -11.038 -8.299 1.00 10.00 C ATOM 191 OG1 THR A 13 -7.515 -10.889 -9.606 1.00 10.00 O ATOM 192 CG2 THR A 13 -8.751 -12.346 -8.141 1.00 10.00 C ATOM 0 H THR A 13 -8.333 -7.881 -8.096 1.00 10.00 H new ATOM 0 HA THR A 13 -9.498 -9.664 -8.893 1.00 10.00 H new ATOM 0 HB THR A 13 -7.201 -11.052 -7.589 1.00 10.00 H new ATOM 0 HG1 THR A 13 -6.926 -10.107 -9.639 1.00 10.00 H new ATOM 0 HG21 THR A 13 -8.074 -13.167 -8.379 1.00 10.00 H new ATOM 0 HG22 THR A 13 -9.098 -12.448 -7.113 1.00 10.00 H new ATOM 0 HG23 THR A 13 -9.606 -12.373 -8.816 1.00 10.00 H new ATOM 200 N CYS A 14 -9.685 -10.063 -5.636 1.00 10.00 N ATOM 201 CA CYS A 14 -10.622 -10.172 -4.543 1.00 10.00 C ATOM 202 C CYS A 14 -10.456 -9.017 -3.552 1.00 10.00 C ATOM 203 O CYS A 14 -9.361 -8.498 -3.345 1.00 10.00 O ATOM 204 CB CYS A 14 -10.417 -11.541 -3.886 1.00 10.00 C ATOM 205 SG CYS A 14 -8.749 -11.854 -3.243 1.00 10.00 S ATOM 0 H CYS A 14 -8.715 -9.993 -5.328 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.646 -10.099 -4.910 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.129 -11.642 -3.067 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.658 -12.315 -4.615 1.00 10.00 H new ATOM 0 HG CYS A 14 -7.910 -11.026 -3.792 1.00 10.00 H new ATOM 210 N ALA A 15 -11.553 -8.605 -2.913 1.00 10.00 N ATOM 211 CA ALA A 15 -11.522 -7.549 -1.904 1.00 10.00 C ATOM 212 C ALA A 15 -10.569 -7.910 -0.758 1.00 10.00 C ATOM 213 O ALA A 15 -9.920 -7.042 -0.176 1.00 10.00 O ATOM 214 CB ALA A 15 -12.938 -7.293 -1.385 1.00 10.00 C ATOM 0 H ALA A 15 -12.482 -8.992 -3.080 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.146 -6.634 -2.362 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.913 -6.505 -0.632 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.578 -6.985 -2.212 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.333 -8.206 -0.941 1.00 10.00 H new ATOM 220 N ALA A 16 -10.478 -9.206 -0.440 1.00 10.00 N ATOM 221 CA ALA A 16 -9.546 -9.722 0.550 1.00 10.00 C ATOM 222 C ALA A 16 -8.117 -9.262 0.249 1.00 10.00 C ATOM 223 O ALA A 16 -7.389 -8.870 1.161 1.00 10.00 O ATOM 224 CB ALA A 16 -9.631 -11.250 0.593 1.00 10.00 C ATOM 0 H ALA A 16 -11.057 -9.927 -0.870 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.819 -9.327 1.529 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -8.931 -11.633 1.336 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.644 -11.551 0.860 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.378 -11.656 -0.386 1.00 10.00 H new ATOM 230 N CYS A 17 -7.714 -9.300 -1.021 1.00 10.00 N ATOM 231 CA CYS A 17 -6.378 -8.921 -1.440 1.00 10.00 C ATOM 232 C CYS A 17 -6.120 -7.446 -1.145 1.00 10.00 C ATOM 233 O CYS A 17 -5.082 -7.101 -0.576 1.00 10.00 O ATOM 234 CB CYS A 17 -6.213 -9.305 -2.908 1.00 10.00 C ATOM 235 SG CYS A 17 -6.230 -11.118 -3.053 1.00 10.00 S ATOM 0 H CYS A 17 -8.316 -9.598 -1.789 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.617 -9.457 -0.873 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.018 -8.872 -3.503 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.277 -8.905 -3.299 1.00 10.00 H new ATOM 0 HG CYS A 17 -7.361 -11.578 -2.607 1.00 10.00 H new ATOM 240 N ALA A 18 -7.085 -6.586 -1.470 1.00 10.00 N ATOM 241 CA ALA A 18 -7.032 -5.180 -1.097 1.00 10.00 C ATOM 242 C ALA A 18 -6.913 -5.024 0.421 1.00 10.00 C ATOM 243 O ALA A 18 -5.981 -4.388 0.905 1.00 10.00 O ATOM 244 CB ALA A 18 -8.235 -4.443 -1.682 1.00 10.00 C ATOM 0 H ALA A 18 -7.919 -6.846 -1.996 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.137 -4.723 -1.520 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.190 -3.391 -1.400 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.221 -4.528 -2.769 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.154 -4.883 -1.296 1.00 10.00 H new ATOM 250 N ASN A 19 -7.806 -5.650 1.191 1.00 10.00 N ATOM 251 CA ASN A 19 -7.717 -5.640 2.653 1.00 10.00 C ATOM 252 C ASN A 19 -6.327 -6.083 3.140 1.00 10.00 C ATOM 253 O ASN A 19 -5.788 -5.543 4.108 1.00 10.00 O ATOM 254 CB ASN A 19 -8.825 -6.527 3.232 1.00 10.00 C ATOM 255 CG ASN A 19 -8.695 -6.715 4.742 1.00 10.00 C ATOM 256 OD1 ASN A 19 -8.447 -5.776 5.488 1.00 10.00 O ATOM 257 ND2 ASN A 19 -8.867 -7.946 5.219 1.00 10.00 N ATOM 0 H ASN A 19 -8.602 -6.172 0.825 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.857 -4.619 3.008 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.795 -6.084 3.006 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.798 -7.501 2.744 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -8.793 -8.120 6.221 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -9.073 -8.716 4.582 1.00 10.00 H new ATOM 264 N ARG A 20 -5.716 -7.060 2.463 1.00 10.00 N ATOM 265 CA ARG A 20 -4.387 -7.538 2.787 1.00 10.00 C ATOM 266 C ARG A 20 -3.351 -6.417 2.647 1.00 10.00 C ATOM 267 O ARG A 20 -2.410 -6.365 3.441 1.00 10.00 O ATOM 268 CB ARG A 20 -4.043 -8.752 1.916 1.00 10.00 C ATOM 269 CG ARG A 20 -3.922 -10.058 2.707 1.00 10.00 C ATOM 270 CD ARG A 20 -5.305 -10.553 3.157 1.00 10.00 C ATOM 271 NE ARG A 20 -5.224 -11.856 3.835 1.00 10.00 N ATOM 272 CZ ARG A 20 -5.086 -13.043 3.218 1.00 10.00 C ATOM 273 NH1 ARG A 20 -4.993 -13.100 1.885 1.00 10.00 N ATOM 274 NH2 ARG A 20 -5.039 -14.167 3.943 1.00 10.00 N ATOM 0 H ARG A 20 -6.142 -7.539 1.670 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.367 -7.856 3.829 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.811 -8.870 1.151 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.103 -8.562 1.397 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.441 -10.818 2.091 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.285 -9.903 3.578 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.752 -9.821 3.829 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -5.962 -10.634 2.291 1.00 10.00 H new ATOM 0 HE ARG A 20 -5.277 -11.859 4.854 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -5.027 -12.242 1.334 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -4.888 -14.001 1.419 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -5.108 -14.121 4.960 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -4.934 -15.069 3.479 1.00 10.00 H new ATOM 288 N ILE A 21 -3.522 -5.515 1.670 1.00 10.00 N ATOM 289 CA ILE A 21 -2.677 -4.322 1.569 1.00 10.00 C ATOM 290 C ILE A 21 -2.767 -3.574 2.892 1.00 10.00 C ATOM 291 O ILE A 21 -1.755 -3.374 3.556 1.00 10.00 O ATOM 292 CB ILE A 21 -3.105 -3.357 0.446 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.280 -3.980 -0.934 1.00 10.00 C ATOM 294 CG2 ILE A 21 -2.193 -2.130 0.356 1.00 10.00 C ATOM 295 CD1 ILE A 21 -1.987 -4.187 -1.718 1.00 10.00 C ATOM 0 H ILE A 21 -4.234 -5.590 0.944 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.666 -4.658 1.337 1.00 10.00 H new ATOM 0 HB ILE A 21 -4.104 -3.049 0.756 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -3.776 -4.944 -0.820 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -3.945 -3.346 -1.520 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -2.535 -1.481 -0.450 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -2.223 -1.585 1.299 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -1.171 -2.450 0.154 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -2.216 -4.635 -2.685 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -1.496 -3.226 -1.870 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.325 -4.848 -1.159 1.00 10.00 H new ATOM 307 N GLU A 22 -3.982 -3.165 3.266 1.00 10.00 N ATOM 308 CA GLU A 22 -4.220 -2.331 4.433 1.00 10.00 C ATOM 309 C GLU A 22 -3.606 -2.981 5.666 1.00 10.00 C ATOM 310 O GLU A 22 -2.904 -2.326 6.433 1.00 10.00 O ATOM 311 CB GLU A 22 -5.721 -2.068 4.618 1.00 10.00 C ATOM 312 CG GLU A 22 -6.331 -1.550 3.313 1.00 10.00 C ATOM 313 CD GLU A 22 -7.662 -0.831 3.489 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.216 -0.903 4.607 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.097 -0.211 2.492 1.00 10.00 O ATOM 0 H GLU A 22 -4.832 -3.409 2.758 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.740 -1.364 4.284 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.224 -2.986 4.924 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.875 -1.340 5.414 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.623 -0.870 2.839 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.471 -2.390 2.632 1.00 10.00 H new ATOM 322 N LYS A 23 -3.834 -4.284 5.826 1.00 10.00 N ATOM 323 CA LYS A 23 -3.240 -5.091 6.870 1.00 10.00 C ATOM 324 C LYS A 23 -1.712 -4.979 6.853 1.00 10.00 C ATOM 325 O LYS A 23 -1.110 -4.673 7.884 1.00 10.00 O ATOM 326 CB LYS A 23 -3.704 -6.538 6.667 1.00 10.00 C ATOM 327 CG LYS A 23 -4.975 -6.872 7.460 1.00 10.00 C ATOM 328 CD LYS A 23 -4.715 -7.151 8.950 1.00 10.00 C ATOM 329 CE LYS A 23 -3.902 -8.440 9.167 1.00 10.00 C ATOM 330 NZ LYS A 23 -3.898 -8.866 10.583 1.00 10.00 N ATOM 0 H LYS A 23 -4.454 -4.813 5.213 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.562 -4.737 7.849 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.887 -6.711 5.606 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -2.905 -7.216 6.967 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.677 -6.043 7.371 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.453 -7.744 7.014 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -4.180 -6.308 9.388 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -5.667 -7.231 9.474 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -4.317 -9.237 8.551 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.876 -8.281 8.834 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.339 -9.737 10.682 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -3.478 -8.117 11.170 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -4.874 -9.044 10.895 1.00 10.00 H new ATOM 344 N ARG A 24 -1.066 -5.254 5.713 1.00 10.00 N ATOM 345 CA ARG A 24 0.389 -5.207 5.658 1.00 10.00 C ATOM 346 C ARG A 24 0.885 -3.804 5.985 1.00 10.00 C ATOM 347 O ARG A 24 1.783 -3.649 6.805 1.00 10.00 O ATOM 348 CB ARG A 24 0.951 -5.697 4.311 1.00 10.00 C ATOM 349 CG ARG A 24 2.290 -6.413 4.527 1.00 10.00 C ATOM 350 CD ARG A 24 2.085 -7.849 5.028 1.00 10.00 C ATOM 351 NE ARG A 24 3.329 -8.411 5.575 1.00 10.00 N ATOM 352 CZ ARG A 24 3.413 -9.594 6.204 1.00 10.00 C ATOM 353 NH1 ARG A 24 2.329 -10.375 6.287 1.00 10.00 N ATOM 354 NH2 ARG A 24 4.569 -9.989 6.747 1.00 10.00 N ATOM 0 H ARG A 24 -1.522 -5.506 4.836 1.00 10.00 H new ATOM 0 HA ARG A 24 0.763 -5.899 6.413 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.240 -6.374 3.836 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.086 -4.852 3.636 1.00 10.00 H new ATOM 0 HG2 ARG A 24 2.850 -6.429 3.592 1.00 10.00 H new ATOM 0 HG3 ARG A 24 2.889 -5.857 5.248 1.00 10.00 H new ATOM 0 HD2 ARG A 24 1.311 -7.861 5.795 1.00 10.00 H new ATOM 0 HD3 ARG A 24 1.731 -8.475 4.208 1.00 10.00 H new ATOM 0 HE ARG A 24 4.185 -7.866 5.470 1.00 10.00 H new ATOM 0 HH11 ARG A 24 1.448 -10.070 5.874 1.00 10.00 H new ATOM 0 HH12 ARG A 24 2.384 -11.275 6.763 1.00 10.00 H new ATOM 0 HH21 ARG A 24 5.393 -9.391 6.685 1.00 10.00 H new ATOM 0 HH22 ARG A 24 4.627 -10.889 7.224 1.00 10.00 H new ATOM 368 N LEU A 25 0.291 -2.786 5.367 1.00 10.00 N ATOM 369 CA LEU A 25 0.701 -1.409 5.594 1.00 10.00 C ATOM 370 C LEU A 25 0.544 -1.036 7.070 1.00 10.00 C ATOM 371 O LEU A 25 1.478 -0.514 7.668 1.00 10.00 O ATOM 372 CB LEU A 25 -0.056 -0.469 4.651 1.00 10.00 C ATOM 373 CG LEU A 25 0.275 -0.733 3.169 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.533 0.231 2.308 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.756 -0.519 2.853 1.00 10.00 C ATOM 0 H LEU A 25 -0.477 -2.893 4.704 1.00 10.00 H new ATOM 0 HA LEU A 25 1.761 -1.301 5.362 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.128 -0.587 4.808 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.190 0.564 4.897 1.00 10.00 H new ATOM 0 HG LEU A 25 0.028 -1.774 2.959 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.308 0.055 1.256 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.597 0.071 2.483 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.272 1.257 2.568 1.00 10.00 H new ATOM 0 HD21 LEU A 25 1.935 -0.718 1.796 1.00 10.00 H new ATOM 0 HD22 LEU A 25 2.031 0.511 3.080 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.359 -1.197 3.457 1.00 10.00 H new ATOM 387 N ASN A 26 -0.594 -1.368 7.684 1.00 10.00 N ATOM 388 CA ASN A 26 -0.810 -1.188 9.117 1.00 10.00 C ATOM 389 C ASN A 26 0.276 -1.887 9.934 1.00 10.00 C ATOM 390 O ASN A 26 0.683 -1.392 10.980 1.00 10.00 O ATOM 391 CB ASN A 26 -2.182 -1.735 9.530 1.00 10.00 C ATOM 392 CG ASN A 26 -3.280 -0.679 9.443 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.692 -0.121 10.454 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.776 -0.403 8.242 1.00 10.00 N ATOM 0 H ASN A 26 -1.394 -1.771 7.196 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.769 -0.118 9.320 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.441 -2.578 8.890 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.127 -2.114 10.550 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.519 0.289 8.144 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.414 -0.883 7.418 1.00 10.00 H new ATOM 401 N LYS A 27 0.724 -3.062 9.485 1.00 10.00 N ATOM 402 CA LYS A 27 1.779 -3.799 10.163 1.00 10.00 C ATOM 403 C LYS A 27 3.142 -3.099 10.052 1.00 10.00 C ATOM 404 O LYS A 27 4.031 -3.414 10.840 1.00 10.00 O ATOM 405 CB LYS A 27 1.793 -5.260 9.681 1.00 10.00 C ATOM 406 CG LYS A 27 2.805 -6.128 10.450 1.00 10.00 C ATOM 407 CD LYS A 27 2.285 -7.558 10.657 1.00 10.00 C ATOM 408 CE LYS A 27 1.293 -7.649 11.830 1.00 10.00 C ATOM 409 NZ LYS A 27 1.953 -7.483 13.145 1.00 10.00 N ATOM 0 H LYS A 27 0.366 -3.521 8.648 1.00 10.00 H new ATOM 0 HA LYS A 27 1.564 -3.815 11.232 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.796 -5.685 9.794 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.032 -5.286 8.618 1.00 10.00 H new ATOM 0 HG2 LYS A 27 3.747 -6.159 9.903 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.013 -5.673 11.418 1.00 10.00 H new ATOM 0 HD2 LYS A 27 1.799 -7.902 9.744 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.126 -8.226 10.842 1.00 10.00 H new ATOM 0 HE2 LYS A 27 0.526 -6.884 11.713 1.00 10.00 H new ATOM 0 HE3 LYS A 27 0.787 -8.614 11.800 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 1.292 -7.751 13.902 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.796 -8.091 13.190 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 2.236 -6.490 13.269 1.00 10.00 H new ATOM 423 N ILE A 28 3.334 -2.175 9.102 1.00 10.00 N ATOM 424 CA ILE A 28 4.543 -1.361 9.062 1.00 10.00 C ATOM 425 C ILE A 28 4.384 -0.222 10.067 1.00 10.00 C ATOM 426 O ILE A 28 3.368 0.470 10.101 1.00 10.00 O ATOM 427 CB ILE A 28 4.806 -0.797 7.659 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.838 -1.911 6.602 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.116 0.008 7.610 1.00 10.00 C ATOM 430 CD1 ILE A 28 4.796 -1.349 5.192 1.00 10.00 C ATOM 0 H ILE A 28 2.667 -1.977 8.356 1.00 10.00 H new ATOM 0 HA ILE A 28 5.399 -1.985 9.319 1.00 10.00 H new ATOM 0 HB ILE A 28 3.979 -0.125 7.430 1.00 10.00 H new ATOM 0 HG12 ILE A 28 5.741 -2.507 6.729 1.00 10.00 H new ATOM 0 HG13 ILE A 28 3.991 -2.580 6.753 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.270 0.392 6.601 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.058 0.841 8.310 1.00 10.00 H new ATOM 0 HG23 ILE A 28 6.950 -0.638 7.883 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.820 -2.168 4.473 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.880 -0.774 5.057 1.00 10.00 H new ATOM 0 HD13 ILE A 28 5.658 -0.701 5.033 1.00 10.00 H new ATOM 442 N GLU A 29 5.425 -0.015 10.863 1.00 10.00 N ATOM 443 CA GLU A 29 5.485 1.042 11.853 1.00 10.00 C ATOM 444 C GLU A 29 5.865 2.343 11.144 1.00 10.00 C ATOM 445 O GLU A 29 6.763 2.345 10.305 1.00 10.00 O ATOM 446 CB GLU A 29 6.493 0.648 12.939 1.00 10.00 C ATOM 447 CG GLU A 29 6.104 -0.694 13.584 1.00 10.00 C ATOM 448 CD GLU A 29 7.046 -1.079 14.718 1.00 10.00 C ATOM 449 OE1 GLU A 29 7.192 -0.247 15.637 1.00 10.00 O ATOM 450 OE2 GLU A 29 7.593 -2.200 14.644 1.00 10.00 O ATOM 0 H GLU A 29 6.266 -0.591 10.835 1.00 10.00 H new ATOM 0 HA GLU A 29 4.522 1.193 12.341 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.490 0.573 12.506 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.535 1.425 13.702 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.085 -0.630 13.966 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.112 -1.476 12.825 1.00 10.00 H new ATOM 457 N GLY A 30 5.166 3.440 11.452 1.00 10.00 N ATOM 458 CA GLY A 30 5.425 4.751 10.861 1.00 10.00 C ATOM 459 C GLY A 30 4.429 5.130 9.762 1.00 10.00 C ATOM 460 O GLY A 30 4.499 6.240 9.237 1.00 10.00 O ATOM 0 H GLY A 30 4.399 3.440 12.124 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.394 5.507 11.645 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.433 4.762 10.447 1.00 10.00 H new ATOM 464 N VAL A 31 3.499 4.234 9.412 1.00 10.00 N ATOM 465 CA VAL A 31 2.415 4.532 8.484 1.00 10.00 C ATOM 466 C VAL A 31 1.253 5.136 9.277 1.00 10.00 C ATOM 467 O VAL A 31 0.953 4.663 10.372 1.00 10.00 O ATOM 468 CB VAL A 31 2.006 3.258 7.724 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.857 3.548 6.746 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.197 2.703 6.930 1.00 10.00 C ATOM 0 H VAL A 31 3.482 3.279 9.769 1.00 10.00 H new ATOM 0 HA VAL A 31 2.734 5.256 7.734 1.00 10.00 H new ATOM 0 HB VAL A 31 1.678 2.526 8.462 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.586 2.632 6.221 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.006 3.918 7.299 1.00 10.00 H new ATOM 0 HG13 VAL A 31 1.175 4.300 6.024 1.00 10.00 H new ATOM 0 HG21 VAL A 31 2.892 1.802 6.398 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.536 3.450 6.213 1.00 10.00 H new ATOM 0 HG23 VAL A 31 4.010 2.462 7.615 1.00 10.00 H new ATOM 480 N ALA A 32 0.611 6.180 8.739 1.00 10.00 N ATOM 481 CA ALA A 32 -0.502 6.860 9.392 1.00 10.00 C ATOM 482 C ALA A 32 -1.835 6.309 8.885 1.00 10.00 C ATOM 483 O ALA A 32 -2.696 5.956 9.686 1.00 10.00 O ATOM 484 CB ALA A 32 -0.402 8.373 9.173 1.00 10.00 C ATOM 0 H ALA A 32 0.855 6.576 7.831 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.451 6.673 10.465 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.239 8.868 9.666 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.535 8.740 9.592 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.431 8.589 8.105 1.00 10.00 H new ATOM 490 N ASN A 33 -2.016 6.234 7.562 1.00 10.00 N ATOM 491 CA ASN A 33 -3.231 5.707 6.940 1.00 10.00 C ATOM 492 C ASN A 33 -2.856 5.012 5.638 1.00 10.00 C ATOM 493 O ASN A 33 -1.771 5.243 5.113 1.00 10.00 O ATOM 494 CB ASN A 33 -4.238 6.828 6.638 1.00 10.00 C ATOM 495 CG ASN A 33 -4.909 7.390 7.884 1.00 10.00 C ATOM 496 OD1 ASN A 33 -5.667 6.686 8.543 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.693 8.662 8.197 1.00 10.00 N ATOM 0 H ASN A 33 -1.315 6.541 6.888 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.697 5.007 7.633 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -3.726 7.635 6.115 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -5.004 6.446 5.963 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -5.162 9.076 9.002 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.058 9.225 7.632 1.00 10.00 H new ATOM 504 N ALA A 34 -3.763 4.189 5.099 1.00 10.00 N ATOM 505 CA ALA A 34 -3.600 3.551 3.798 1.00 10.00 C ATOM 506 C ALA A 34 -4.885 2.890 3.273 1.00 10.00 C ATOM 507 O ALA A 34 -4.871 1.691 3.003 1.00 10.00 O ATOM 508 CB ALA A 34 -2.470 2.520 3.863 1.00 10.00 C ATOM 0 H ALA A 34 -4.639 3.948 5.563 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.351 4.343 3.092 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.353 2.047 2.888 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.540 3.017 4.139 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.712 1.762 4.608 1.00 10.00 H new ATOM 514 N PRO A 35 -5.989 3.633 3.096 1.00 10.00 N ATOM 515 CA PRO A 35 -7.194 3.085 2.488 1.00 10.00 C ATOM 516 C PRO A 35 -6.967 2.764 1.000 1.00 10.00 C ATOM 517 O PRO A 35 -6.420 3.586 0.263 1.00 10.00 O ATOM 518 CB PRO A 35 -8.264 4.160 2.689 1.00 10.00 C ATOM 519 CG PRO A 35 -7.456 5.460 2.728 1.00 10.00 C ATOM 520 CD PRO A 35 -6.161 5.040 3.424 1.00 10.00 C ATOM 0 HA PRO A 35 -7.493 2.140 2.942 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -8.990 4.162 1.876 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.821 4.005 3.613 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.268 5.849 1.727 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -7.976 6.242 3.281 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.316 5.632 3.073 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.228 5.187 4.502 1.00 10.00 H new ATOM 528 N VAL A 36 -7.382 1.570 0.560 1.00 10.00 N ATOM 529 CA VAL A 36 -7.248 1.090 -0.816 1.00 10.00 C ATOM 530 C VAL A 36 -8.554 1.328 -1.573 1.00 10.00 C ATOM 531 O VAL A 36 -9.631 1.080 -1.032 1.00 10.00 O ATOM 532 CB VAL A 36 -6.928 -0.414 -0.805 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.767 -0.982 -2.223 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.651 -0.725 -0.024 1.00 10.00 C ATOM 0 H VAL A 36 -7.834 0.892 1.173 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.441 1.631 -1.310 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.781 -0.886 -0.316 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.542 -2.047 -2.165 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.692 -0.837 -2.780 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -5.952 -0.466 -2.731 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.465 -1.799 -0.043 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.810 -0.203 -0.479 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.767 -0.395 1.009 1.00 10.00 H new ATOM 544 N ASN A 37 -8.483 1.759 -2.838 1.00 10.00 N ATOM 545 CA ASN A 37 -9.665 1.939 -3.664 1.00 10.00 C ATOM 546 C ASN A 37 -9.849 0.769 -4.641 1.00 10.00 C ATOM 547 O ASN A 37 -9.222 0.707 -5.700 1.00 10.00 O ATOM 548 CB ASN A 37 -9.666 3.324 -4.320 1.00 10.00 C ATOM 549 CG ASN A 37 -8.402 3.745 -5.060 1.00 10.00 C ATOM 550 OD1 ASN A 37 -7.739 4.702 -4.680 1.00 10.00 O ATOM 551 ND2 ASN A 37 -8.086 3.080 -6.160 1.00 10.00 N ATOM 0 H ASN A 37 -7.607 1.989 -3.308 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.551 1.916 -3.030 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -10.498 3.364 -5.023 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -9.867 4.064 -3.546 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.275 3.362 -6.711 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -8.653 2.286 -6.457 1.00 10.00 H new ATOM 558 N PHE A 38 -10.753 -0.158 -4.303 1.00 10.00 N ATOM 559 CA PHE A 38 -11.118 -1.285 -5.161 1.00 10.00 C ATOM 560 C PHE A 38 -11.955 -0.792 -6.349 1.00 10.00 C ATOM 561 O PHE A 38 -13.161 -1.015 -6.420 1.00 10.00 O ATOM 562 CB PHE A 38 -11.851 -2.356 -4.339 1.00 10.00 C ATOM 563 CG PHE A 38 -11.828 -3.743 -4.958 1.00 10.00 C ATOM 564 CD1 PHE A 38 -10.760 -4.611 -4.669 1.00 10.00 C ATOM 565 CD2 PHE A 38 -12.854 -4.171 -5.822 1.00 10.00 C ATOM 566 CE1 PHE A 38 -10.731 -5.909 -5.207 1.00 10.00 C ATOM 567 CE2 PHE A 38 -12.814 -5.464 -6.379 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.759 -6.337 -6.063 1.00 10.00 C ATOM 0 H PHE A 38 -11.256 -0.144 -3.416 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.217 -1.745 -5.566 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.402 -2.406 -3.347 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.888 -2.048 -4.205 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -9.956 -4.278 -4.029 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -13.673 -3.507 -6.058 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.919 -6.577 -4.962 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -13.596 -5.785 -7.051 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.739 -7.334 -6.477 1.00 10.00 H new ATOM 578 N ALA A 39 -11.301 -0.080 -7.263 1.00 10.00 N ATOM 579 CA ALA A 39 -11.893 0.492 -8.464 1.00 10.00 C ATOM 580 C ALA A 39 -10.788 0.808 -9.471 1.00 10.00 C ATOM 581 O ALA A 39 -10.778 0.270 -10.572 1.00 10.00 O ATOM 582 CB ALA A 39 -12.696 1.750 -8.109 1.00 10.00 C ATOM 0 H ALA A 39 -10.304 0.121 -7.182 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.579 -0.226 -8.914 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.134 2.169 -9.015 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.490 1.489 -7.409 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.035 2.486 -7.651 1.00 10.00 H new ATOM 588 N LEU A 40 -9.855 1.685 -9.082 1.00 10.00 N ATOM 589 CA LEU A 40 -8.760 2.128 -9.950 1.00 10.00 C ATOM 590 C LEU A 40 -7.540 1.226 -9.785 1.00 10.00 C ATOM 591 O LEU A 40 -6.609 1.281 -10.581 1.00 10.00 O ATOM 592 CB LEU A 40 -8.368 3.580 -9.635 1.00 10.00 C ATOM 593 CG LEU A 40 -9.547 4.540 -9.650 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.626 5.397 -8.383 1.00 10.00 C ATOM 595 CD2 LEU A 40 -9.557 5.424 -10.901 1.00 10.00 C ATOM 0 H LEU A 40 -9.839 2.108 -8.154 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.110 2.069 -10.981 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -7.892 3.616 -8.655 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.627 3.914 -10.361 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.438 3.913 -9.675 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.486 6.064 -8.448 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.733 4.750 -7.512 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -8.715 5.988 -8.286 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -10.417 6.093 -10.867 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.641 6.013 -10.938 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -9.621 4.796 -11.790 1.00 10.00 H new ATOM 607 N GLU A 41 -7.553 0.440 -8.708 1.00 10.00 N ATOM 608 CA GLU A 41 -6.462 -0.428 -8.286 1.00 10.00 C ATOM 609 C GLU A 41 -5.277 0.456 -7.879 1.00 10.00 C ATOM 610 O GLU A 41 -4.189 0.459 -8.454 1.00 10.00 O ATOM 611 CB GLU A 41 -6.168 -1.502 -9.349 1.00 10.00 C ATOM 612 CG GLU A 41 -6.108 -2.901 -8.719 1.00 10.00 C ATOM 613 CD GLU A 41 -5.833 -4.007 -9.738 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.484 -3.970 -10.803 1.00 10.00 O ATOM 615 OE2 GLU A 41 -5.022 -4.904 -9.415 1.00 10.00 O ATOM 0 H GLU A 41 -8.358 0.391 -8.083 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.727 -1.013 -7.405 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -6.941 -1.479 -10.117 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -5.221 -1.281 -9.842 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -5.329 -2.916 -7.956 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -7.052 -3.107 -8.215 1.00 10.00 H new ATOM 622 N THR A 42 -5.534 1.273 -6.861 1.00 10.00 N ATOM 623 CA THR A 42 -4.579 2.202 -6.289 1.00 10.00 C ATOM 624 C THR A 42 -4.827 2.303 -4.780 1.00 10.00 C ATOM 625 O THR A 42 -5.950 2.088 -4.313 1.00 10.00 O ATOM 626 CB THR A 42 -4.627 3.527 -7.074 1.00 10.00 C ATOM 627 OG1 THR A 42 -3.872 3.367 -8.259 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.156 4.759 -6.299 1.00 10.00 C ATOM 0 H THR A 42 -6.444 1.303 -6.401 1.00 10.00 H new ATOM 0 HA THR A 42 -3.550 1.857 -6.386 1.00 10.00 H new ATOM 0 HB THR A 42 -5.677 3.729 -7.288 1.00 10.00 H new ATOM 0 HG1 THR A 42 -3.798 2.414 -8.473 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.228 5.640 -6.937 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.784 4.897 -5.418 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.121 4.620 -5.988 1.00 10.00 H new ATOM 636 N VAL A 43 -3.760 2.572 -4.021 1.00 10.00 N ATOM 637 CA VAL A 43 -3.817 2.865 -2.594 1.00 10.00 C ATOM 638 C VAL A 43 -3.149 4.214 -2.338 1.00 10.00 C ATOM 639 O VAL A 43 -2.103 4.498 -2.926 1.00 10.00 O ATOM 640 CB VAL A 43 -3.185 1.720 -1.779 1.00 10.00 C ATOM 641 CG1 VAL A 43 -1.688 1.530 -2.053 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.361 1.926 -0.269 1.00 10.00 C ATOM 0 H VAL A 43 -2.812 2.591 -4.396 1.00 10.00 H new ATOM 0 HA VAL A 43 -4.853 2.936 -2.264 1.00 10.00 H new ATOM 0 HB VAL A 43 -3.719 0.828 -2.107 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.308 0.708 -1.446 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.537 1.302 -3.108 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.153 2.445 -1.800 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.901 1.096 0.267 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.884 2.860 0.029 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.423 1.969 -0.029 1.00 10.00 H new ATOM 652 N THR A 44 -3.755 5.016 -1.457 1.00 10.00 N ATOM 653 CA THR A 44 -3.246 6.313 -1.037 1.00 10.00 C ATOM 654 C THR A 44 -2.734 6.166 0.393 1.00 10.00 C ATOM 655 O THR A 44 -3.520 6.164 1.338 1.00 10.00 O ATOM 656 CB THR A 44 -4.353 7.370 -1.150 1.00 10.00 C ATOM 657 OG1 THR A 44 -4.957 7.263 -2.423 1.00 10.00 O ATOM 658 CG2 THR A 44 -3.781 8.783 -0.985 1.00 10.00 C ATOM 0 H THR A 44 -4.637 4.769 -1.008 1.00 10.00 H new ATOM 0 HA THR A 44 -2.428 6.645 -1.676 1.00 10.00 H new ATOM 0 HB THR A 44 -5.085 7.198 -0.361 1.00 10.00 H new ATOM 0 HG1 THR A 44 -5.667 7.933 -2.505 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.586 9.513 -1.069 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.310 8.873 -0.006 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.040 8.969 -1.762 1.00 10.00 H new ATOM 666 N VAL A 45 -1.423 6.007 0.553 1.00 10.00 N ATOM 667 CA VAL A 45 -0.788 5.837 1.847 1.00 10.00 C ATOM 668 C VAL A 45 -0.467 7.211 2.420 1.00 10.00 C ATOM 669 O VAL A 45 0.174 8.021 1.753 1.00 10.00 O ATOM 670 CB VAL A 45 0.461 4.958 1.702 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.124 4.706 3.063 1.00 10.00 C ATOM 672 CG2 VAL A 45 0.047 3.621 1.076 1.00 10.00 C ATOM 0 H VAL A 45 -0.766 5.993 -0.227 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.457 5.329 2.541 1.00 10.00 H new ATOM 0 HB VAL A 45 1.183 5.471 1.067 1.00 10.00 H new ATOM 0 HG11 VAL A 45 2.006 4.080 2.928 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.418 5.657 3.506 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.419 4.201 3.723 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.924 2.984 0.966 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.681 3.128 1.720 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.397 3.800 0.097 1.00 10.00 H new ATOM 682 N GLU A 46 -0.898 7.462 3.656 1.00 10.00 N ATOM 683 CA GLU A 46 -0.459 8.607 4.428 1.00 10.00 C ATOM 684 C GLU A 46 0.598 8.121 5.415 1.00 10.00 C ATOM 685 O GLU A 46 0.362 7.138 6.125 1.00 10.00 O ATOM 686 CB GLU A 46 -1.641 9.241 5.163 1.00 10.00 C ATOM 687 CG GLU A 46 -1.300 10.668 5.597 1.00 10.00 C ATOM 688 CD GLU A 46 -2.400 11.319 6.418 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.267 10.567 6.920 1.00 10.00 O ATOM 690 OE2 GLU A 46 -2.330 12.564 6.536 1.00 10.00 O ATOM 0 H GLU A 46 -1.566 6.868 4.146 1.00 10.00 H new ATOM 0 HA GLU A 46 -0.038 9.370 3.774 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.517 9.252 4.514 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.898 8.641 6.036 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -0.379 10.654 6.180 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -1.108 11.275 4.712 1.00 10.00 H new ATOM 697 N TYR A 47 1.748 8.791 5.479 1.00 10.00 N ATOM 698 CA TYR A 47 2.797 8.449 6.431 1.00 10.00 C ATOM 699 C TYR A 47 3.652 9.679 6.737 1.00 10.00 C ATOM 700 O TYR A 47 3.255 10.793 6.395 1.00 10.00 O ATOM 701 CB TYR A 47 3.587 7.213 5.962 1.00 10.00 C ATOM 702 CG TYR A 47 4.593 7.383 4.839 1.00 10.00 C ATOM 703 CD1 TYR A 47 4.165 7.487 3.502 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.960 7.188 5.115 1.00 10.00 C ATOM 705 CE1 TYR A 47 5.103 7.410 2.455 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.887 7.074 4.069 1.00 10.00 C ATOM 707 CZ TYR A 47 6.469 7.241 2.743 1.00 10.00 C ATOM 708 OH TYR A 47 7.387 7.186 1.734 1.00 10.00 O ATOM 0 H TYR A 47 1.975 9.581 4.875 1.00 10.00 H new ATOM 0 HA TYR A 47 2.355 8.152 7.382 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.118 6.811 6.825 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.866 6.457 5.650 1.00 10.00 H new ATOM 0 HD1 TYR A 47 3.117 7.626 3.279 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.297 7.126 6.139 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.773 7.481 1.429 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.923 6.858 4.286 1.00 10.00 H new ATOM 0 HH TYR A 47 8.289 7.267 2.108 1.00 10.00 H new ATOM 718 N ASN A 48 4.787 9.485 7.417 1.00 10.00 N ATOM 719 CA ASN A 48 5.754 10.525 7.733 1.00 10.00 C ATOM 720 C ASN A 48 7.089 10.134 7.089 1.00 10.00 C ATOM 721 O ASN A 48 7.545 9.014 7.337 1.00 10.00 O ATOM 722 CB ASN A 48 5.938 10.593 9.257 1.00 10.00 C ATOM 723 CG ASN A 48 4.774 11.249 9.997 1.00 10.00 C ATOM 724 OD1 ASN A 48 3.943 11.933 9.409 1.00 10.00 O ATOM 725 ND2 ASN A 48 4.706 11.066 11.309 1.00 10.00 N ATOM 0 H ASN A 48 5.060 8.568 7.771 1.00 10.00 H new ATOM 0 HA ASN A 48 5.414 11.492 7.363 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.075 9.582 9.641 1.00 10.00 H new ATOM 0 HB3 ASN A 48 6.852 11.145 9.478 1.00 10.00 H new ATOM 0 HD21 ASN A 48 3.954 11.497 11.846 1.00 10.00 H new ATOM 0 HD22 ASN A 48 5.406 10.494 11.781 1.00 10.00 H new ATOM 732 N PRO A 49 7.762 11.027 6.337 1.00 10.00 N ATOM 733 CA PRO A 49 9.006 10.715 5.636 1.00 10.00 C ATOM 734 C PRO A 49 10.204 10.700 6.596 1.00 10.00 C ATOM 735 O PRO A 49 11.214 11.362 6.361 1.00 10.00 O ATOM 736 CB PRO A 49 9.143 11.799 4.555 1.00 10.00 C ATOM 737 CG PRO A 49 8.432 13.000 5.176 1.00 10.00 C ATOM 738 CD PRO A 49 7.298 12.359 5.978 1.00 10.00 C ATOM 0 HA PRO A 49 8.986 9.718 5.196 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.188 12.019 4.335 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.677 11.495 3.618 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.100 13.577 5.815 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.052 13.681 4.414 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.070 12.945 6.868 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.383 12.307 5.387 1.00 10.00 H new ATOM 746 N LYS A 50 10.100 9.955 7.698 1.00 10.00 N ATOM 747 CA LYS A 50 11.144 9.849 8.702 1.00 10.00 C ATOM 748 C LYS A 50 10.988 8.585 9.561 1.00 10.00 C ATOM 749 O LYS A 50 11.696 8.454 10.558 1.00 10.00 O ATOM 750 CB LYS A 50 11.085 11.103 9.589 1.00 10.00 C ATOM 751 CG LYS A 50 12.452 11.433 10.201 1.00 10.00 C ATOM 752 CD LYS A 50 12.274 12.110 11.563 1.00 10.00 C ATOM 753 CE LYS A 50 13.643 12.493 12.143 1.00 10.00 C ATOM 754 NZ LYS A 50 13.542 12.926 13.552 1.00 10.00 N ATOM 0 H LYS A 50 9.271 9.402 7.915 1.00 10.00 H new ATOM 0 HA LYS A 50 12.110 9.775 8.202 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.737 11.950 8.998 1.00 10.00 H new ATOM 0 HB3 LYS A 50 10.357 10.950 10.386 1.00 10.00 H new ATOM 0 HG2 LYS A 50 13.037 10.520 10.314 1.00 10.00 H new ATOM 0 HG3 LYS A 50 13.009 12.088 9.531 1.00 10.00 H new ATOM 0 HD2 LYS A 50 11.653 13.000 11.458 1.00 10.00 H new ATOM 0 HD3 LYS A 50 11.755 11.438 12.247 1.00 10.00 H new ATOM 0 HE2 LYS A 50 14.319 11.641 12.073 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.078 13.295 11.547 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 14.487 13.176 13.907 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 12.917 13.755 13.616 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 13.150 12.152 14.126 1.00 10.00 H new ATOM 768 N GLU A 51 10.051 7.688 9.221 1.00 10.00 N ATOM 769 CA GLU A 51 9.666 6.579 10.084 1.00 10.00 C ATOM 770 C GLU A 51 9.559 5.310 9.243 1.00 10.00 C ATOM 771 O GLU A 51 10.307 4.358 9.452 1.00 10.00 O ATOM 772 CB GLU A 51 8.343 6.914 10.794 1.00 10.00 C ATOM 773 CG GLU A 51 8.442 8.203 11.624 1.00 10.00 C ATOM 774 CD GLU A 51 7.146 8.498 12.365 1.00 10.00 C ATOM 775 OE1 GLU A 51 6.570 7.541 12.922 1.00 10.00 O ATOM 776 OE2 GLU A 51 6.748 9.683 12.350 1.00 10.00 O ATOM 0 H GLU A 51 9.542 7.717 8.337 1.00 10.00 H new ATOM 0 HA GLU A 51 10.419 6.412 10.855 1.00 10.00 H new ATOM 0 HB2 GLU A 51 7.551 7.021 10.052 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.061 6.086 11.444 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.258 8.112 12.341 1.00 10.00 H new ATOM 0 HG3 GLU A 51 8.685 9.040 10.969 1.00 10.00 H new ATOM 783 N ALA A 52 8.649 5.327 8.267 1.00 10.00 N ATOM 784 CA ALA A 52 8.553 4.323 7.224 1.00 10.00 C ATOM 785 C ALA A 52 9.169 4.901 5.949 1.00 10.00 C ATOM 786 O ALA A 52 9.576 6.063 5.926 1.00 10.00 O ATOM 787 CB ALA A 52 7.077 3.972 7.026 1.00 10.00 C ATOM 0 H ALA A 52 7.945 6.060 8.185 1.00 10.00 H new ATOM 0 HA ALA A 52 9.090 3.412 7.489 1.00 10.00 H new ATOM 0 HB1 ALA A 52 6.984 3.218 6.245 1.00 10.00 H new ATOM 0 HB2 ALA A 52 6.668 3.582 7.958 1.00 10.00 H new ATOM 0 HB3 ALA A 52 6.526 4.866 6.734 1.00 10.00 H new ATOM 793 N SER A 53 9.203 4.101 4.884 1.00 10.00 N ATOM 794 CA SER A 53 9.700 4.508 3.580 1.00 10.00 C ATOM 795 C SER A 53 8.957 3.736 2.488 1.00 10.00 C ATOM 796 O SER A 53 8.675 2.546 2.645 1.00 10.00 O ATOM 797 CB SER A 53 11.228 4.340 3.494 1.00 10.00 C ATOM 798 OG SER A 53 11.753 3.567 4.556 1.00 10.00 O ATOM 0 H SER A 53 8.879 3.134 4.909 1.00 10.00 H new ATOM 0 HA SER A 53 9.504 5.570 3.429 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.485 3.868 2.545 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.698 5.323 3.499 1.00 10.00 H new ATOM 0 HG SER A 53 12.029 2.690 4.217 1.00 10.00 H new ATOM 804 N VAL A 54 8.629 4.429 1.389 1.00 10.00 N ATOM 805 CA VAL A 54 7.952 3.871 0.222 1.00 10.00 C ATOM 806 C VAL A 54 8.549 2.517 -0.195 1.00 10.00 C ATOM 807 O VAL A 54 7.814 1.565 -0.438 1.00 10.00 O ATOM 808 CB VAL A 54 7.896 4.920 -0.907 1.00 10.00 C ATOM 809 CG1 VAL A 54 9.277 5.364 -1.406 1.00 10.00 C ATOM 810 CG2 VAL A 54 7.037 4.455 -2.090 1.00 10.00 C ATOM 0 H VAL A 54 8.836 5.423 1.290 1.00 10.00 H new ATOM 0 HA VAL A 54 6.918 3.641 0.481 1.00 10.00 H new ATOM 0 HB VAL A 54 7.424 5.790 -0.450 1.00 10.00 H new ATOM 0 HG11 VAL A 54 9.157 6.102 -2.199 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.837 5.805 -0.582 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.819 4.501 -1.792 1.00 10.00 H new ATOM 0 HG21 VAL A 54 7.028 5.227 -2.859 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.453 3.536 -2.503 1.00 10.00 H new ATOM 0 HG23 VAL A 54 6.018 4.271 -1.750 1.00 10.00 H new ATOM 820 N SER A 55 9.877 2.409 -0.251 1.00 10.00 N ATOM 821 CA SER A 55 10.590 1.193 -0.612 1.00 10.00 C ATOM 822 C SER A 55 10.159 -0.031 0.211 1.00 10.00 C ATOM 823 O SER A 55 9.886 -1.100 -0.334 1.00 10.00 O ATOM 824 CB SER A 55 12.086 1.472 -0.439 1.00 10.00 C ATOM 825 OG SER A 55 12.371 2.764 -0.953 1.00 10.00 O ATOM 0 H SER A 55 10.499 3.189 -0.040 1.00 10.00 H new ATOM 0 HA SER A 55 10.352 0.938 -1.645 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.362 1.415 0.614 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.674 0.719 -0.963 1.00 10.00 H new ATOM 0 HG SER A 55 13.326 2.955 -0.846 1.00 10.00 H new ATOM 831 N ASP A 56 10.119 0.107 1.533 1.00 10.00 N ATOM 832 CA ASP A 56 9.899 -1.006 2.440 1.00 10.00 C ATOM 833 C ASP A 56 8.473 -1.504 2.256 1.00 10.00 C ATOM 834 O ASP A 56 8.218 -2.688 2.033 1.00 10.00 O ATOM 835 CB ASP A 56 10.148 -0.533 3.878 1.00 10.00 C ATOM 836 CG ASP A 56 11.517 0.114 4.023 1.00 10.00 C ATOM 837 OD1 ASP A 56 11.676 1.204 3.424 1.00 10.00 O ATOM 838 OD2 ASP A 56 12.372 -0.481 4.709 1.00 10.00 O ATOM 0 H ASP A 56 10.240 1.003 2.005 1.00 10.00 H new ATOM 0 HA ASP A 56 10.584 -1.827 2.229 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.375 0.180 4.167 1.00 10.00 H new ATOM 0 HB3 ASP A 56 10.071 -1.380 4.559 1.00 10.00 H new ATOM 843 N LEU A 57 7.531 -0.564 2.311 1.00 10.00 N ATOM 844 CA LEU A 57 6.129 -0.850 2.104 1.00 10.00 C ATOM 845 C LEU A 57 5.878 -1.417 0.712 1.00 10.00 C ATOM 846 O LEU A 57 5.035 -2.299 0.554 1.00 10.00 O ATOM 847 CB LEU A 57 5.264 0.351 2.508 1.00 10.00 C ATOM 848 CG LEU A 57 5.385 1.625 1.674 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.611 1.560 0.354 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.839 2.805 2.487 1.00 10.00 C ATOM 0 H LEU A 57 7.729 0.418 2.502 1.00 10.00 H new ATOM 0 HA LEU A 57 5.811 -1.651 2.771 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.221 0.035 2.488 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.501 0.603 3.542 1.00 10.00 H new ATOM 0 HG LEU A 57 6.441 1.745 1.433 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.739 2.496 -0.189 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.990 0.735 -0.250 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.552 1.402 0.560 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.921 3.720 1.900 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.793 2.624 2.733 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.415 2.911 3.406 1.00 10.00 H new ATOM 862 N LYS A 58 6.645 -0.967 -0.289 1.00 10.00 N ATOM 863 CA LYS A 58 6.598 -1.541 -1.621 1.00 10.00 C ATOM 864 C LYS A 58 6.852 -3.038 -1.487 1.00 10.00 C ATOM 865 O LYS A 58 6.019 -3.838 -1.901 1.00 10.00 O ATOM 866 CB LYS A 58 7.618 -0.843 -2.539 1.00 10.00 C ATOM 867 CG LYS A 58 7.455 -1.067 -4.040 1.00 10.00 C ATOM 868 CD LYS A 58 7.482 -2.557 -4.389 1.00 10.00 C ATOM 869 CE LYS A 58 7.952 -2.839 -5.822 1.00 10.00 C ATOM 870 NZ LYS A 58 8.151 -4.287 -6.049 1.00 10.00 N ATOM 0 H LYS A 58 7.309 -0.199 -0.190 1.00 10.00 H new ATOM 0 HA LYS A 58 5.623 -1.390 -2.084 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.570 0.229 -2.348 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.616 -1.174 -2.252 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.514 -0.631 -4.374 1.00 10.00 H new ATOM 0 HG3 LYS A 58 8.253 -0.552 -4.575 1.00 10.00 H new ATOM 0 HD2 LYS A 58 8.140 -3.074 -3.690 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.483 -2.972 -4.254 1.00 10.00 H new ATOM 0 HE2 LYS A 58 7.217 -2.456 -6.530 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.885 -2.308 -6.012 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.336 -4.458 -7.058 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.961 -4.618 -5.487 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.296 -4.804 -5.761 1.00 10.00 H new ATOM 884 N GLU A 59 7.999 -3.411 -0.912 1.00 10.00 N ATOM 885 CA GLU A 59 8.370 -4.811 -0.777 1.00 10.00 C ATOM 886 C GLU A 59 7.305 -5.575 0.013 1.00 10.00 C ATOM 887 O GLU A 59 6.922 -6.674 -0.363 1.00 10.00 O ATOM 888 CB GLU A 59 9.752 -4.942 -0.128 1.00 10.00 C ATOM 889 CG GLU A 59 10.294 -6.358 -0.362 1.00 10.00 C ATOM 890 CD GLU A 59 11.580 -6.609 0.409 1.00 10.00 C ATOM 891 OE1 GLU A 59 12.641 -6.224 -0.126 1.00 10.00 O ATOM 892 OE2 GLU A 59 11.470 -7.183 1.515 1.00 10.00 O ATOM 0 H GLU A 59 8.684 -2.757 -0.534 1.00 10.00 H new ATOM 0 HA GLU A 59 8.428 -5.254 -1.771 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.435 -4.205 -0.550 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.685 -4.739 0.941 1.00 10.00 H new ATOM 0 HG2 GLU A 59 9.543 -7.088 -0.062 1.00 10.00 H new ATOM 0 HG3 GLU A 59 10.475 -6.506 -1.427 1.00 10.00 H new ATOM 899 N ALA A 60 6.809 -4.994 1.103 1.00 10.00 N ATOM 900 CA ALA A 60 5.826 -5.599 1.981 1.00 10.00 C ATOM 901 C ALA A 60 4.542 -5.912 1.214 1.00 10.00 C ATOM 902 O ALA A 60 3.989 -7.001 1.356 1.00 10.00 O ATOM 903 CB ALA A 60 5.557 -4.657 3.154 1.00 10.00 C ATOM 0 H ALA A 60 7.092 -4.061 1.403 1.00 10.00 H new ATOM 0 HA ALA A 60 6.211 -6.542 2.368 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.819 -5.105 3.819 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.483 -4.486 3.703 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.177 -3.707 2.778 1.00 10.00 H new ATOM 909 N VAL A 61 4.060 -4.963 0.407 1.00 10.00 N ATOM 910 CA VAL A 61 2.907 -5.199 -0.443 1.00 10.00 C ATOM 911 C VAL A 61 3.249 -6.263 -1.480 1.00 10.00 C ATOM 912 O VAL A 61 2.500 -7.224 -1.630 1.00 10.00 O ATOM 913 CB VAL A 61 2.430 -3.885 -1.079 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.442 -4.173 -2.217 1.00 10.00 C ATOM 915 CG2 VAL A 61 1.758 -3.021 -0.003 1.00 10.00 C ATOM 0 H VAL A 61 4.456 -4.026 0.330 1.00 10.00 H new ATOM 0 HA VAL A 61 2.076 -5.575 0.154 1.00 10.00 H new ATOM 0 HB VAL A 61 3.286 -3.352 -1.493 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.112 -3.233 -2.659 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.931 -4.780 -2.979 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.580 -4.711 -1.823 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.417 -2.086 -0.448 1.00 10.00 H new ATOM 0 HG22 VAL A 61 0.905 -3.557 0.414 1.00 10.00 H new ATOM 0 HG23 VAL A 61 2.474 -2.805 0.790 1.00 10.00 H new ATOM 925 N ASP A 62 4.379 -6.111 -2.173 1.00 10.00 N ATOM 926 CA ASP A 62 4.826 -7.064 -3.181 1.00 10.00 C ATOM 927 C ASP A 62 4.793 -8.487 -2.610 1.00 10.00 C ATOM 928 O ASP A 62 4.257 -9.419 -3.208 1.00 10.00 O ATOM 929 CB ASP A 62 6.224 -6.666 -3.674 1.00 10.00 C ATOM 930 CG ASP A 62 6.475 -7.123 -5.102 1.00 10.00 C ATOM 931 OD1 ASP A 62 6.745 -8.323 -5.298 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.457 -6.222 -5.975 1.00 10.00 O ATOM 0 H ASP A 62 5.010 -5.319 -2.048 1.00 10.00 H new ATOM 0 HA ASP A 62 4.153 -7.047 -4.039 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.335 -5.583 -3.615 1.00 10.00 H new ATOM 0 HB3 ASP A 62 6.978 -7.100 -3.017 1.00 10.00 H new ATOM 937 N LYS A 63 5.282 -8.622 -1.373 1.00 10.00 N ATOM 938 CA LYS A 63 5.354 -9.882 -0.646 1.00 10.00 C ATOM 939 C LYS A 63 3.988 -10.559 -0.477 1.00 10.00 C ATOM 940 O LYS A 63 3.936 -11.773 -0.267 1.00 10.00 O ATOM 941 CB LYS A 63 6.051 -9.634 0.703 1.00 10.00 C ATOM 942 CG LYS A 63 6.556 -10.910 1.392 1.00 10.00 C ATOM 943 CD LYS A 63 5.587 -11.393 2.482 1.00 10.00 C ATOM 944 CE LYS A 63 6.062 -12.703 3.125 1.00 10.00 C ATOM 945 NZ LYS A 63 6.123 -13.811 2.148 1.00 10.00 N ATOM 0 H LYS A 63 5.647 -7.833 -0.840 1.00 10.00 H new ATOM 0 HA LYS A 63 5.941 -10.587 -1.234 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.894 -8.961 0.546 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.356 -9.124 1.370 1.00 10.00 H new ATOM 0 HG2 LYS A 63 6.688 -11.696 0.649 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.535 -10.721 1.833 1.00 10.00 H new ATOM 0 HD2 LYS A 63 5.491 -10.625 3.250 1.00 10.00 H new ATOM 0 HD3 LYS A 63 4.597 -11.538 2.050 1.00 10.00 H new ATOM 0 HE2 LYS A 63 7.048 -12.554 3.565 1.00 10.00 H new ATOM 0 HE3 LYS A 63 5.387 -12.973 3.937 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 6.231 -14.714 2.653 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 5.246 -13.830 1.589 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 6.935 -13.670 1.513 1.00 10.00 H new ATOM 959 N LEU A 64 2.887 -9.802 -0.544 1.00 10.00 N ATOM 960 CA LEU A 64 1.540 -10.364 -0.524 1.00 10.00 C ATOM 961 C LEU A 64 1.292 -11.262 -1.741 1.00 10.00 C ATOM 962 O LEU A 64 0.546 -12.231 -1.624 1.00 10.00 O ATOM 963 CB LEU A 64 0.474 -9.258 -0.460 1.00 10.00 C ATOM 964 CG LEU A 64 0.533 -8.409 0.821 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.310 -7.146 0.635 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.005 -9.197 2.023 1.00 10.00 C ATOM 0 H LEU A 64 2.909 -8.785 -0.613 1.00 10.00 H new ATOM 0 HA LEU A 64 1.461 -10.973 0.376 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.591 -8.603 -1.324 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.513 -9.714 -0.537 1.00 10.00 H new ATOM 0 HG LEU A 64 1.573 -8.144 1.011 1.00 10.00 H new ATOM 0 HD11 LEU A 64 -0.269 -6.544 1.543 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.081 -6.568 -0.202 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.344 -7.425 0.432 1.00 10.00 H new ATOM 0 HD21 LEU A 64 0.047 -8.576 2.918 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.041 -9.481 1.838 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.597 -10.094 2.169 1.00 10.00 H new ATOM 978 N GLY A 65 1.893 -10.951 -2.898 1.00 10.00 N ATOM 979 CA GLY A 65 1.773 -11.761 -4.108 1.00 10.00 C ATOM 980 C GLY A 65 1.602 -10.896 -5.357 1.00 10.00 C ATOM 981 O GLY A 65 2.188 -11.183 -6.399 1.00 10.00 O ATOM 0 H GLY A 65 2.479 -10.124 -3.016 1.00 10.00 H new ATOM 0 HA2 GLY A 65 2.660 -12.385 -4.217 1.00 10.00 H new ATOM 0 HA3 GLY A 65 0.920 -12.433 -4.012 1.00 10.00 H new ATOM 985 N TYR A 66 0.771 -9.858 -5.255 1.00 10.00 N ATOM 986 CA TYR A 66 0.557 -8.881 -6.324 1.00 10.00 C ATOM 987 C TYR A 66 1.749 -7.925 -6.382 1.00 10.00 C ATOM 988 O TYR A 66 2.664 -8.045 -5.575 1.00 10.00 O ATOM 989 CB TYR A 66 -0.786 -8.145 -6.144 1.00 10.00 C ATOM 990 CG TYR A 66 -1.487 -8.341 -4.816 1.00 10.00 C ATOM 991 CD1 TYR A 66 -2.199 -9.531 -4.576 1.00 10.00 C ATOM 992 CD2 TYR A 66 -1.356 -7.383 -3.794 1.00 10.00 C ATOM 993 CE1 TYR A 66 -2.732 -9.787 -3.304 1.00 10.00 C ATOM 994 CE2 TYR A 66 -1.970 -7.606 -2.551 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.645 -8.809 -2.302 1.00 10.00 C ATOM 996 OH TYR A 66 -3.221 -9.016 -1.089 1.00 10.00 O ATOM 0 H TYR A 66 0.221 -9.670 -4.417 1.00 10.00 H new ATOM 0 HA TYR A 66 0.492 -9.396 -7.282 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.613 -7.078 -6.285 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.461 -8.466 -6.938 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -2.335 -10.248 -5.372 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -0.787 -6.481 -3.965 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -3.208 -10.734 -3.097 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -1.922 -6.848 -1.784 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.792 -8.252 -0.863 1.00 10.00 H new ATOM 1006 N LYS A 67 1.758 -6.983 -7.329 1.00 10.00 N ATOM 1007 CA LYS A 67 2.844 -6.015 -7.472 1.00 10.00 C ATOM 1008 C LYS A 67 2.292 -4.601 -7.359 1.00 10.00 C ATOM 1009 O LYS A 67 1.112 -4.380 -7.612 1.00 10.00 O ATOM 1010 CB LYS A 67 3.583 -6.252 -8.795 1.00 10.00 C ATOM 1011 CG LYS A 67 4.630 -7.352 -8.595 1.00 10.00 C ATOM 1012 CD LYS A 67 4.998 -8.080 -9.892 1.00 10.00 C ATOM 1013 CE LYS A 67 5.514 -7.111 -10.965 1.00 10.00 C ATOM 1014 NZ LYS A 67 5.924 -7.824 -12.191 1.00 10.00 N ATOM 0 H LYS A 67 1.013 -6.872 -8.016 1.00 10.00 H new ATOM 0 HA LYS A 67 3.569 -6.146 -6.669 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.877 -6.542 -9.573 1.00 10.00 H new ATOM 0 HB3 LYS A 67 4.063 -5.332 -9.127 1.00 10.00 H new ATOM 0 HG2 LYS A 67 5.530 -6.913 -8.164 1.00 10.00 H new ATOM 0 HG3 LYS A 67 4.252 -8.077 -7.874 1.00 10.00 H new ATOM 0 HD2 LYS A 67 5.761 -8.830 -9.683 1.00 10.00 H new ATOM 0 HD3 LYS A 67 4.124 -8.610 -10.271 1.00 10.00 H new ATOM 0 HE2 LYS A 67 4.735 -6.388 -11.207 1.00 10.00 H new ATOM 0 HE3 LYS A 67 6.360 -6.548 -10.571 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 6.267 -7.138 -12.893 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.684 -8.496 -11.964 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 5.110 -8.341 -12.581 1.00 10.00 H new ATOM 1028 N LEU A 68 3.150 -3.662 -6.953 1.00 10.00 N ATOM 1029 CA LEU A 68 2.833 -2.278 -6.669 1.00 10.00 C ATOM 1030 C LEU A 68 3.905 -1.432 -7.342 1.00 10.00 C ATOM 1031 O LEU A 68 5.024 -1.904 -7.553 1.00 10.00 O ATOM 1032 CB LEU A 68 2.808 -2.067 -5.149 1.00 10.00 C ATOM 1033 CG LEU A 68 2.500 -0.641 -4.661 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.698 -0.720 -3.359 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.792 0.132 -4.354 1.00 10.00 C ATOM 0 H LEU A 68 4.138 -3.869 -6.808 1.00 10.00 H new ATOM 0 HA LEU A 68 1.852 -1.994 -7.050 1.00 10.00 H new ATOM 0 HB2 LEU A 68 2.066 -2.742 -4.723 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.777 -2.364 -4.747 1.00 10.00 H new ATOM 0 HG LEU A 68 1.945 -0.131 -5.448 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.476 0.287 -3.007 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.766 -1.256 -3.538 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.281 -1.248 -2.604 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.542 1.136 -4.011 1.00 10.00 H new ATOM 0 HD22 LEU A 68 4.351 -0.388 -3.576 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.400 0.197 -5.256 1.00 10.00 H new ATOM 1047 N LYS A 69 3.566 -0.187 -7.659 1.00 10.00 N ATOM 1048 CA LYS A 69 4.455 0.828 -8.198 1.00 10.00 C ATOM 1049 C LYS A 69 3.967 2.197 -7.733 1.00 10.00 C ATOM 1050 O LYS A 69 2.874 2.308 -7.190 1.00 10.00 O ATOM 1051 CB LYS A 69 4.465 0.796 -9.731 1.00 10.00 C ATOM 1052 CG LYS A 69 5.010 -0.504 -10.330 1.00 10.00 C ATOM 1053 CD LYS A 69 5.552 -0.218 -11.738 1.00 10.00 C ATOM 1054 CE LYS A 69 5.689 -1.491 -12.585 1.00 10.00 C ATOM 1055 NZ LYS A 69 4.397 -1.931 -13.164 1.00 10.00 N ATOM 0 H LYS A 69 2.613 0.156 -7.539 1.00 10.00 H new ATOM 0 HA LYS A 69 5.467 0.634 -7.843 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.449 0.951 -10.093 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.064 1.630 -10.096 1.00 10.00 H new ATOM 0 HG2 LYS A 69 5.801 -0.908 -9.697 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.223 -1.256 -10.375 1.00 10.00 H new ATOM 0 HD2 LYS A 69 4.887 0.482 -12.245 1.00 10.00 H new ATOM 0 HD3 LYS A 69 6.525 0.268 -11.658 1.00 10.00 H new ATOM 0 HE2 LYS A 69 6.402 -1.313 -13.390 1.00 10.00 H new ATOM 0 HE3 LYS A 69 6.098 -2.291 -11.968 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 4.574 -2.613 -13.929 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 3.821 -2.381 -12.425 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 3.889 -1.107 -13.545 1.00 10.00 H new ATOM 1069 N LEU A 70 4.766 3.239 -7.964 1.00 10.00 N ATOM 1070 CA LEU A 70 4.395 4.615 -7.659 1.00 10.00 C ATOM 1071 C LEU A 70 3.254 5.089 -8.552 1.00 10.00 C ATOM 1072 O LEU A 70 3.121 4.654 -9.696 1.00 10.00 O ATOM 1073 CB LEU A 70 5.636 5.521 -7.728 1.00 10.00 C ATOM 1074 CG LEU A 70 5.411 7.047 -7.802 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.658 7.757 -7.260 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.188 7.547 -9.238 1.00 10.00 C ATOM 0 H LEU A 70 5.696 3.148 -8.372 1.00 10.00 H new ATOM 0 HA LEU A 70 4.015 4.669 -6.639 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.250 5.315 -6.851 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.218 5.226 -8.601 1.00 10.00 H new ATOM 0 HG LEU A 70 4.518 7.266 -7.217 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.512 8.836 -7.307 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.826 7.458 -6.225 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.524 7.482 -7.862 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.035 8.626 -9.228 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.061 7.310 -9.846 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.309 7.060 -9.660 1.00 10.00 H new ATOM 1088 N LYS A 71 2.458 6.010 -8.008 1.00 10.00 N ATOM 1089 CA LYS A 71 1.418 6.737 -8.718 1.00 10.00 C ATOM 1090 C LYS A 71 1.616 8.245 -8.604 1.00 10.00 C ATOM 1091 O LYS A 71 1.679 8.932 -9.623 1.00 10.00 O ATOM 1092 CB LYS A 71 0.024 6.295 -8.256 1.00 10.00 C ATOM 1093 CG LYS A 71 -1.021 6.483 -9.360 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.823 5.384 -10.414 1.00 10.00 C ATOM 1095 CE LYS A 71 -0.891 5.882 -11.859 1.00 10.00 C ATOM 1096 NZ LYS A 71 -0.387 4.834 -12.770 1.00 10.00 N ATOM 0 H LYS A 71 2.526 6.276 -7.026 1.00 10.00 H new ATOM 0 HA LYS A 71 1.496 6.491 -9.777 1.00 10.00 H new ATOM 0 HB2 LYS A 71 0.054 5.247 -7.957 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.268 6.869 -7.376 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.026 6.430 -8.942 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.917 7.468 -9.816 1.00 10.00 H new ATOM 0 HD2 LYS A 71 0.144 4.909 -10.250 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.583 4.616 -10.270 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -1.918 6.139 -12.117 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -0.298 6.790 -11.969 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -0.998 4.781 -13.610 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 0.584 5.066 -13.063 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -0.391 3.917 -12.280 1.00 10.00 H new