USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 752 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 11 SER OG : rot -82:sc= 0.0137! USER MOD Set 1.2: A 13 HIS : no HE2:sc= -2.35! C(o=-2.3!,f=-15!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.37! K(o=-3.4!,f=-1.8) USER MOD Single : A 16 HIS : no HD1:sc= -6.12! C(o=-6.1!,f=-6.7!) USER MOD Single : A 17 TYR OH : rot 169:sc= -0.524 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.466! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= -0.0149 (180deg=-0.337) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot -127:sc= 0.0322 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 67 THR OG1 : rot 160:sc= -1.82! USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.057) USER MOD Single : A 82 GLN : amide:sc= -0.093 K(o=-0.093,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.762 10.398 -8.376 1.00 0.00 N ATOM 2 CA MET A 1 -9.666 9.593 -8.989 1.00 0.00 C ATOM 3 C MET A 1 -8.704 9.099 -7.905 1.00 0.00 C ATOM 4 O MET A 1 -7.640 9.652 -7.709 1.00 0.00 O ATOM 5 CB MET A 1 -8.953 10.553 -9.944 1.00 0.00 C ATOM 6 CG MET A 1 -9.640 10.520 -11.310 1.00 0.00 C ATOM 7 SD MET A 1 -8.393 10.627 -12.617 1.00 0.00 S ATOM 8 CE MET A 1 -8.468 8.898 -13.146 1.00 0.00 C ATOM 0 H1 MET A 1 -11.409 10.728 -9.121 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.287 9.810 -7.697 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.356 11.218 -7.882 1.00 0.00 H new ATOM 0 HA MET A 1 -10.042 8.710 -9.506 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.972 11.565 -9.540 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.905 10.270 -10.045 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.216 9.601 -11.417 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.343 11.348 -11.395 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.764 8.736 -13.962 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.208 8.250 -12.309 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.477 8.665 -13.486 1.00 0.00 H new ATOM 20 N VAL A 2 -9.069 8.064 -7.200 1.00 0.00 N ATOM 21 CA VAL A 2 -8.174 7.539 -6.128 1.00 0.00 C ATOM 22 C VAL A 2 -7.030 6.730 -6.743 1.00 0.00 C ATOM 23 O VAL A 2 -7.237 5.896 -7.601 1.00 0.00 O ATOM 24 CB VAL A 2 -9.064 6.636 -5.274 1.00 0.00 C ATOM 25 CG1 VAL A 2 -8.237 6.032 -4.138 1.00 0.00 C ATOM 26 CG2 VAL A 2 -10.212 7.459 -4.686 1.00 0.00 C ATOM 0 H VAL A 2 -9.947 7.559 -7.319 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.721 8.339 -5.542 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.470 5.836 -5.893 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.871 5.388 -3.529 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.419 5.445 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.831 6.832 -3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.847 6.815 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.806 8.259 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.802 7.890 -5.495 1.00 0.00 H new ATOM 36 N LYS A 3 -5.822 6.966 -6.307 1.00 0.00 N ATOM 37 CA LYS A 3 -4.669 6.206 -6.867 1.00 0.00 C ATOM 38 C LYS A 3 -3.758 5.714 -5.738 1.00 0.00 C ATOM 39 O LYS A 3 -3.345 6.474 -4.880 1.00 0.00 O ATOM 40 CB LYS A 3 -3.927 7.201 -7.761 1.00 0.00 C ATOM 41 CG LYS A 3 -4.651 7.317 -9.104 1.00 0.00 C ATOM 42 CD LYS A 3 -3.921 8.326 -9.992 1.00 0.00 C ATOM 43 CE LYS A 3 -2.495 7.838 -10.257 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.339 7.897 -11.737 1.00 0.00 N ATOM 0 H LYS A 3 -5.585 7.651 -5.589 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.990 5.325 -7.422 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.879 8.176 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.900 6.871 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.687 6.344 -9.595 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.682 7.634 -8.947 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.455 8.450 -10.934 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.898 9.302 -9.508 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.762 8.470 -9.757 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -2.349 6.824 -9.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.385 7.577 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -3.046 7.280 -12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -2.477 8.875 -12.062 1.00 0.00 H new ATOM 58 N ILE A 4 -3.443 4.447 -5.735 1.00 0.00 N ATOM 59 CA ILE A 4 -2.559 3.897 -4.673 1.00 0.00 C ATOM 60 C ILE A 4 -1.170 3.685 -5.264 1.00 0.00 C ATOM 61 O ILE A 4 -1.026 3.167 -6.350 1.00 0.00 O ATOM 62 CB ILE A 4 -3.179 2.561 -4.218 1.00 0.00 C ATOM 63 CG1 ILE A 4 -4.717 2.567 -4.339 1.00 0.00 C ATOM 64 CG2 ILE A 4 -2.797 2.306 -2.763 1.00 0.00 C ATOM 65 CD1 ILE A 4 -5.295 3.874 -3.787 1.00 0.00 C ATOM 0 H ILE A 4 -3.762 3.768 -6.426 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.469 4.570 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.794 1.774 -4.867 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.006 2.448 -5.383 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.134 1.720 -3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.232 1.363 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -1.712 2.256 -2.675 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -3.174 3.117 -2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -6.381 3.860 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.023 3.977 -2.737 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.893 4.716 -4.350 1.00 0.00 H new ATOM 77 N ARG A 5 -0.145 4.096 -4.580 1.00 0.00 N ATOM 78 CA ARG A 5 1.216 3.920 -5.145 1.00 0.00 C ATOM 79 C ARG A 5 2.249 3.770 -4.035 1.00 0.00 C ATOM 80 O ARG A 5 1.936 3.865 -2.866 1.00 0.00 O ATOM 81 CB ARG A 5 1.477 5.187 -5.967 1.00 0.00 C ATOM 82 CG ARG A 5 1.581 6.402 -5.039 1.00 0.00 C ATOM 83 CD ARG A 5 1.966 7.640 -5.853 1.00 0.00 C ATOM 84 NE ARG A 5 3.330 7.346 -6.385 1.00 0.00 N ATOM 85 CZ ARG A 5 3.977 8.233 -7.105 1.00 0.00 C ATOM 86 NH1 ARG A 5 3.451 9.405 -7.364 1.00 0.00 N ATOM 87 NH2 ARG A 5 5.163 7.944 -7.568 1.00 0.00 N ATOM 0 H ARG A 5 -0.188 4.542 -3.664 1.00 0.00 H new ATOM 0 HA ARG A 5 1.289 3.019 -5.754 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.398 5.076 -6.539 1.00 0.00 H new ATOM 0 HB3 ARG A 5 0.672 5.336 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.630 6.568 -4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 5 2.326 6.218 -4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 5 1.257 7.816 -6.662 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.970 8.535 -5.231 1.00 0.00 H new ATOM 0 HE ARG A 5 3.764 6.445 -6.187 1.00 0.00 H new ATOM 0 HH11 ARG A 5 2.526 9.639 -7.005 1.00 0.00 H new ATOM 0 HH12 ARG A 5 3.967 10.083 -7.925 1.00 0.00 H new ATOM 0 HH21 ARG A 5 5.580 7.035 -7.370 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.672 8.628 -8.128 1.00 0.00 H new ATOM 101 N LEU A 6 3.483 3.561 -4.393 1.00 0.00 N ATOM 102 CA LEU A 6 4.532 3.432 -3.353 1.00 0.00 C ATOM 103 C LEU A 6 5.102 4.820 -3.049 1.00 0.00 C ATOM 104 O LEU A 6 5.416 5.585 -3.938 1.00 0.00 O ATOM 105 CB LEU A 6 5.597 2.502 -3.940 1.00 0.00 C ATOM 106 CG LEU A 6 6.246 3.145 -5.163 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.579 3.776 -4.760 1.00 0.00 C ATOM 108 CD2 LEU A 6 6.493 2.070 -6.224 1.00 0.00 C ATOM 0 H LEU A 6 3.807 3.475 -5.356 1.00 0.00 H new ATOM 0 HA LEU A 6 4.151 3.024 -2.417 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.356 2.287 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.145 1.550 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 6 5.587 3.915 -5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.043 4.235 -5.633 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.406 4.537 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.240 3.007 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.957 2.523 -7.100 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.154 1.304 -5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.544 1.616 -6.510 1.00 0.00 H new ATOM 120 N ALA A 7 5.211 5.151 -1.796 1.00 0.00 N ATOM 121 CA ALA A 7 5.730 6.487 -1.405 1.00 0.00 C ATOM 122 C ALA A 7 7.203 6.364 -1.032 1.00 0.00 C ATOM 123 O ALA A 7 7.661 5.300 -0.707 1.00 0.00 O ATOM 124 CB ALA A 7 4.897 6.848 -0.180 1.00 0.00 C ATOM 0 H ALA A 7 4.959 4.544 -1.016 1.00 0.00 H new ATOM 0 HA ALA A 7 5.659 7.235 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.202 7.826 0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.842 6.877 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.050 6.100 0.598 1.00 0.00 H new ATOM 130 N ARG A 8 7.954 7.428 -1.084 1.00 0.00 N ATOM 131 CA ARG A 8 9.396 7.320 -0.740 1.00 0.00 C ATOM 132 C ARG A 8 9.777 8.298 0.375 1.00 0.00 C ATOM 133 O ARG A 8 9.839 9.494 0.172 1.00 0.00 O ATOM 134 CB ARG A 8 10.136 7.668 -2.032 1.00 0.00 C ATOM 135 CG ARG A 8 11.631 7.390 -1.861 1.00 0.00 C ATOM 136 CD ARG A 8 12.387 8.715 -1.746 1.00 0.00 C ATOM 137 NE ARG A 8 12.485 9.227 -3.145 1.00 0.00 N ATOM 138 CZ ARG A 8 12.862 10.461 -3.384 1.00 0.00 C ATOM 139 NH1 ARG A 8 13.173 11.272 -2.403 1.00 0.00 N ATOM 140 NH2 ARG A 8 12.930 10.885 -4.616 1.00 0.00 N ATOM 0 H ARG A 8 7.634 8.360 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 8 9.647 6.326 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.739 7.080 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.978 8.717 -2.282 1.00 0.00 H new ATOM 0 HG2 ARG A 8 11.800 6.785 -0.970 1.00 0.00 H new ATOM 0 HG3 ARG A 8 12.005 6.818 -2.710 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.856 9.418 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.375 8.569 -1.309 1.00 0.00 H new ATOM 0 HE ARG A 8 12.256 8.610 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.124 10.947 -1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 8 13.464 12.228 -2.605 1.00 0.00 H new ATOM 0 HH21 ARG A 8 12.691 10.259 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 8 13.222 11.843 -4.810 1.00 0.00 H new ATOM 154 N PHE A 9 10.053 7.794 1.549 1.00 0.00 N ATOM 155 CA PHE A 9 10.453 8.698 2.674 1.00 0.00 C ATOM 156 C PHE A 9 11.858 8.319 3.151 1.00 0.00 C ATOM 157 O PHE A 9 12.661 7.803 2.400 1.00 0.00 O ATOM 158 CB PHE A 9 9.464 8.478 3.833 1.00 0.00 C ATOM 159 CG PHE A 9 8.148 7.899 3.379 1.00 0.00 C ATOM 160 CD1 PHE A 9 8.033 6.526 3.164 1.00 0.00 C ATOM 161 CD2 PHE A 9 7.041 8.733 3.210 1.00 0.00 C ATOM 162 CE1 PHE A 9 6.812 5.986 2.776 1.00 0.00 C ATOM 163 CE2 PHE A 9 5.815 8.192 2.828 1.00 0.00 C ATOM 164 CZ PHE A 9 5.703 6.819 2.611 1.00 0.00 C ATOM 0 H PHE A 9 10.020 6.801 1.780 1.00 0.00 H new ATOM 0 HA PHE A 9 10.445 9.738 2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 9 9.915 7.810 4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 9 9.283 9.428 4.335 1.00 0.00 H new ATOM 0 HD1 PHE A 9 8.891 5.883 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.135 9.796 3.375 1.00 0.00 H new ATOM 0 HE1 PHE A 9 6.721 4.924 2.602 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.955 8.833 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.754 6.398 2.314 1.00 0.00 H new ATOM 174 N GLY A 10 12.152 8.554 4.404 1.00 0.00 N ATOM 175 CA GLY A 10 13.487 8.189 4.935 1.00 0.00 C ATOM 176 C GLY A 10 14.485 9.312 4.647 1.00 0.00 C ATOM 177 O GLY A 10 15.510 9.099 4.030 1.00 0.00 O ATOM 0 H GLY A 10 11.520 8.984 5.079 1.00 0.00 H new ATOM 0 HA2 GLY A 10 13.425 8.012 6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.829 7.260 4.478 1.00 0.00 H new ATOM 181 N SER A 11 14.200 10.507 5.091 1.00 0.00 N ATOM 182 CA SER A 11 15.143 11.636 4.842 1.00 0.00 C ATOM 183 C SER A 11 16.538 11.265 5.350 1.00 0.00 C ATOM 184 O SER A 11 17.506 11.278 4.615 1.00 0.00 O ATOM 185 CB SER A 11 14.578 12.816 5.638 1.00 0.00 C ATOM 186 OG SER A 11 14.873 12.647 7.016 1.00 0.00 O ATOM 0 H SER A 11 13.358 10.750 5.613 1.00 0.00 H new ATOM 0 HA SER A 11 15.236 11.874 3.782 1.00 0.00 H new ATOM 0 HB2 SER A 11 15.007 13.750 5.276 1.00 0.00 H new ATOM 0 HB3 SER A 11 13.500 12.883 5.492 1.00 0.00 H new ATOM 0 HG SER A 11 14.218 12.040 7.419 1.00 0.00 H new ATOM 192 N LYS A 12 16.638 10.928 6.605 1.00 0.00 N ATOM 193 CA LYS A 12 17.958 10.548 7.186 1.00 0.00 C ATOM 194 C LYS A 12 17.739 9.473 8.249 1.00 0.00 C ATOM 195 O LYS A 12 18.131 9.624 9.388 1.00 0.00 O ATOM 196 CB LYS A 12 18.509 11.827 7.835 1.00 0.00 C ATOM 197 CG LYS A 12 18.307 13.026 6.903 1.00 0.00 C ATOM 198 CD LYS A 12 19.267 14.149 7.298 1.00 0.00 C ATOM 199 CE LYS A 12 19.263 15.229 6.214 1.00 0.00 C ATOM 200 NZ LYS A 12 18.190 16.178 6.623 1.00 0.00 N ATOM 0 H LYS A 12 15.856 10.899 7.259 1.00 0.00 H new ATOM 0 HA LYS A 12 18.646 10.154 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 12 18.005 12.007 8.785 1.00 0.00 H new ATOM 0 HB3 LYS A 12 19.569 11.703 8.055 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.483 12.730 5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 12 17.277 13.377 6.963 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.968 14.578 8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 12 20.274 13.752 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.230 15.729 6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.060 14.802 5.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.125 16.949 5.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.281 15.675 6.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.414 16.573 7.559 1.00 0.00 H new ATOM 214 N HIS A 13 17.087 8.403 7.893 1.00 0.00 N ATOM 215 CA HIS A 13 16.814 7.332 8.901 1.00 0.00 C ATOM 216 C HIS A 13 16.959 5.956 8.248 1.00 0.00 C ATOM 217 O HIS A 13 17.810 5.168 8.608 1.00 0.00 O ATOM 218 CB HIS A 13 15.358 7.542 9.367 1.00 0.00 C ATOM 219 CG HIS A 13 14.979 9.001 9.286 1.00 0.00 C ATOM 220 ND1 HIS A 13 15.631 9.973 10.025 1.00 0.00 N ATOM 221 CD2 HIS A 13 14.056 9.667 8.522 1.00 0.00 C ATOM 222 CE1 HIS A 13 15.100 11.160 9.687 1.00 0.00 C ATOM 223 NE2 HIS A 13 14.131 11.030 8.779 1.00 0.00 N ATOM 0 H HIS A 13 16.731 8.220 6.955 1.00 0.00 H new ATOM 0 HA HIS A 13 17.512 7.382 9.737 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.683 6.951 8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.244 7.187 10.391 1.00 0.00 H new ATOM 0 HD1 HIS A 13 16.378 9.817 10.702 1.00 0.00 H new ATOM 0 HD2 HIS A 13 13.374 9.202 7.826 1.00 0.00 H new ATOM 0 HE1 HIS A 13 15.419 12.105 10.100 1.00 0.00 H new ATOM 231 N ASN A 14 16.126 5.666 7.286 1.00 0.00 N ATOM 232 CA ASN A 14 16.199 4.346 6.596 1.00 0.00 C ATOM 233 C ASN A 14 15.385 4.393 5.296 1.00 0.00 C ATOM 234 O ASN A 14 14.340 5.011 5.250 1.00 0.00 O ATOM 235 CB ASN A 14 15.585 3.349 7.581 1.00 0.00 C ATOM 236 CG ASN A 14 15.856 1.921 7.102 1.00 0.00 C ATOM 237 OD1 ASN A 14 16.633 1.204 7.700 1.00 0.00 O ATOM 238 ND2 ASN A 14 15.244 1.475 6.039 1.00 0.00 N ATOM 0 H ASN A 14 15.394 6.290 6.946 1.00 0.00 H new ATOM 0 HA ASN A 14 17.219 4.071 6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 14 16.008 3.497 8.575 1.00 0.00 H new ATOM 0 HB3 ASN A 14 14.511 3.518 7.663 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.418 0.525 5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 14 14.591 2.076 5.536 1.00 0.00 H new ATOM 245 N PRO A 15 15.891 3.747 4.276 1.00 0.00 N ATOM 246 CA PRO A 15 15.191 3.736 2.966 1.00 0.00 C ATOM 247 C PRO A 15 13.944 2.844 3.007 1.00 0.00 C ATOM 248 O PRO A 15 14.035 1.632 3.023 1.00 0.00 O ATOM 249 CB PRO A 15 16.230 3.161 2.008 1.00 0.00 C ATOM 250 CG PRO A 15 17.145 2.348 2.868 1.00 0.00 C ATOM 251 CD PRO A 15 17.144 2.978 4.237 1.00 0.00 C ATOM 0 HA PRO A 15 14.838 4.725 2.674 1.00 0.00 H new ATOM 0 HB2 PRO A 15 15.761 2.546 1.240 1.00 0.00 H new ATOM 0 HB3 PRO A 15 16.773 3.954 1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 15 16.806 1.313 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 15 18.152 2.333 2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 15 17.174 2.224 5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 15 18.012 3.622 4.380 1.00 0.00 H new ATOM 259 N HIS A 16 12.780 3.437 3.006 1.00 0.00 N ATOM 260 CA HIS A 16 11.523 2.629 3.025 1.00 0.00 C ATOM 261 C HIS A 16 10.404 3.386 2.314 1.00 0.00 C ATOM 262 O HIS A 16 10.339 4.598 2.348 1.00 0.00 O ATOM 263 CB HIS A 16 11.173 2.435 4.500 1.00 0.00 C ATOM 264 CG HIS A 16 10.925 3.770 5.146 1.00 0.00 C ATOM 265 ND1 HIS A 16 9.778 4.524 4.902 1.00 0.00 N ATOM 266 CD2 HIS A 16 11.677 4.503 6.028 1.00 0.00 C ATOM 267 CE1 HIS A 16 9.887 5.653 5.631 1.00 0.00 C ATOM 268 NE2 HIS A 16 11.021 5.688 6.332 1.00 0.00 N ATOM 0 H HIS A 16 12.644 4.448 2.993 1.00 0.00 H new ATOM 0 HA HIS A 16 11.650 1.674 2.514 1.00 0.00 H new ATOM 0 HB2 HIS A 16 10.288 1.806 4.593 1.00 0.00 H new ATOM 0 HB3 HIS A 16 11.986 1.919 5.011 1.00 0.00 H new ATOM 0 HD2 HIS A 16 12.635 4.203 6.426 1.00 0.00 H new ATOM 0 HE1 HIS A 16 9.144 6.436 5.646 1.00 0.00 H new ATOM 0 HE2 HIS A 16 11.339 6.428 6.958 1.00 0.00 H new ATOM 276 N TYR A 17 9.522 2.677 1.677 1.00 0.00 N ATOM 277 CA TYR A 17 8.395 3.328 0.972 1.00 0.00 C ATOM 278 C TYR A 17 7.087 2.789 1.543 1.00 0.00 C ATOM 279 O TYR A 17 7.096 1.850 2.307 1.00 0.00 O ATOM 280 CB TYR A 17 8.516 2.849 -0.471 1.00 0.00 C ATOM 281 CG TYR A 17 9.736 3.413 -1.151 1.00 0.00 C ATOM 282 CD1 TYR A 17 11.015 3.046 -0.723 1.00 0.00 C ATOM 283 CD2 TYR A 17 9.584 4.283 -2.236 1.00 0.00 C ATOM 284 CE1 TYR A 17 12.143 3.554 -1.375 1.00 0.00 C ATOM 285 CE2 TYR A 17 10.708 4.789 -2.892 1.00 0.00 C ATOM 286 CZ TYR A 17 11.991 4.425 -2.462 1.00 0.00 C ATOM 287 OH TYR A 17 13.103 4.924 -3.108 1.00 0.00 O ATOM 0 H TYR A 17 9.536 1.659 1.615 1.00 0.00 H new ATOM 0 HA TYR A 17 8.411 4.414 1.066 1.00 0.00 H new ATOM 0 HB2 TYR A 17 8.561 1.760 -0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.624 3.140 -1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.132 2.370 0.111 1.00 0.00 H new ATOM 0 HD2 TYR A 17 8.595 4.564 -2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 17 13.131 3.275 -1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 17 10.589 5.460 -3.730 1.00 0.00 H new ATOM 0 HH TYR A 17 12.828 5.366 -3.939 1.00 0.00 H new ATOM 297 N ARG A 18 5.963 3.332 1.157 1.00 0.00 N ATOM 298 CA ARG A 18 4.684 2.778 1.657 1.00 0.00 C ATOM 299 C ARG A 18 3.705 2.713 0.495 1.00 0.00 C ATOM 300 O ARG A 18 3.748 3.525 -0.402 1.00 0.00 O ATOM 301 CB ARG A 18 4.194 3.736 2.743 1.00 0.00 C ATOM 302 CG ARG A 18 4.213 3.030 4.101 1.00 0.00 C ATOM 303 CD ARG A 18 3.854 4.028 5.204 1.00 0.00 C ATOM 304 NE ARG A 18 5.041 4.051 6.107 1.00 0.00 N ATOM 305 CZ ARG A 18 4.976 4.615 7.291 1.00 0.00 C ATOM 306 NH1 ARG A 18 3.869 5.173 7.712 1.00 0.00 N ATOM 307 NH2 ARG A 18 6.032 4.622 8.058 1.00 0.00 N ATOM 0 H ARG A 18 5.881 4.127 0.523 1.00 0.00 H new ATOM 0 HA ARG A 18 4.789 1.774 2.067 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.829 4.621 2.774 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.184 4.076 2.513 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.504 2.202 4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.199 2.606 4.288 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.653 5.017 4.791 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.957 3.718 5.740 1.00 0.00 H new ATOM 0 HE ARG A 18 5.915 3.623 5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.040 5.174 7.117 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.835 5.607 8.635 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.899 4.192 7.736 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.990 5.058 8.979 1.00 0.00 H new ATOM 321 N ILE A 19 2.792 1.793 0.515 1.00 0.00 N ATOM 322 CA ILE A 19 1.801 1.731 -0.574 1.00 0.00 C ATOM 323 C ILE A 19 0.623 2.465 0.015 1.00 0.00 C ATOM 324 O ILE A 19 -0.222 1.918 0.694 1.00 0.00 O ATOM 325 CB ILE A 19 1.491 0.251 -0.861 1.00 0.00 C ATOM 326 CG1 ILE A 19 2.559 -0.700 -0.304 1.00 0.00 C ATOM 327 CG2 ILE A 19 1.460 0.038 -2.368 1.00 0.00 C ATOM 328 CD1 ILE A 19 3.919 -0.312 -0.874 1.00 0.00 C ATOM 0 H ILE A 19 2.692 1.082 1.240 1.00 0.00 H new ATOM 0 HA ILE A 19 2.113 2.166 -1.523 1.00 0.00 H new ATOM 0 HB ILE A 19 0.537 0.031 -0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.579 -0.647 0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.320 -1.730 -0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.241 -1.008 -2.583 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.688 0.669 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.429 0.301 -2.793 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.683 -0.984 -0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.893 -0.387 -1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.155 0.713 -0.587 1.00 0.00 H new ATOM 340 N VAL A 20 0.673 3.747 -0.146 1.00 0.00 N ATOM 341 CA VAL A 20 -0.307 4.637 0.487 1.00 0.00 C ATOM 342 C VAL A 20 -1.419 5.036 -0.487 1.00 0.00 C ATOM 343 O VAL A 20 -1.355 4.766 -1.671 1.00 0.00 O ATOM 344 CB VAL A 20 0.604 5.802 0.944 1.00 0.00 C ATOM 345 CG1 VAL A 20 0.482 7.028 0.040 1.00 0.00 C ATOM 346 CG2 VAL A 20 0.281 6.176 2.383 1.00 0.00 C ATOM 0 H VAL A 20 1.377 4.225 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.873 4.203 1.311 1.00 0.00 H new ATOM 0 HB VAL A 20 1.635 5.456 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.141 7.816 0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.766 6.759 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.548 7.385 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.925 6.996 2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.762 6.486 2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.448 5.314 3.029 1.00 0.00 H new ATOM 356 N VAL A 21 -2.459 5.631 0.024 1.00 0.00 N ATOM 357 CA VAL A 21 -3.615 5.996 -0.845 1.00 0.00 C ATOM 358 C VAL A 21 -3.761 7.516 -0.944 1.00 0.00 C ATOM 359 O VAL A 21 -4.257 8.161 -0.043 1.00 0.00 O ATOM 360 CB VAL A 21 -4.856 5.381 -0.165 1.00 0.00 C ATOM 361 CG1 VAL A 21 -5.917 5.121 -1.216 1.00 0.00 C ATOM 362 CG2 VAL A 21 -4.517 4.049 0.509 1.00 0.00 C ATOM 0 H VAL A 21 -2.560 5.882 1.008 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.483 5.625 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.211 6.082 0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.798 4.686 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.190 6.060 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.527 4.430 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.412 3.641 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.147 3.347 -0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.750 4.209 1.267 1.00 0.00 H new ATOM 372 N THR A 22 -3.341 8.090 -2.039 1.00 0.00 N ATOM 373 CA THR A 22 -3.461 9.570 -2.194 1.00 0.00 C ATOM 374 C THR A 22 -4.058 9.916 -3.558 1.00 0.00 C ATOM 375 O THR A 22 -4.471 9.052 -4.306 1.00 0.00 O ATOM 376 CB THR A 22 -2.031 10.116 -2.079 1.00 0.00 C ATOM 377 OG1 THR A 22 -2.016 11.476 -2.490 1.00 0.00 O ATOM 378 CG2 THR A 22 -1.082 9.305 -2.966 1.00 0.00 C ATOM 0 H THR A 22 -2.922 7.602 -2.830 1.00 0.00 H new ATOM 0 HA THR A 22 -4.118 10.003 -1.440 1.00 0.00 H new ATOM 0 HB THR A 22 -1.700 10.037 -1.043 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.105 11.830 -2.417 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.071 9.702 -2.876 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.092 8.262 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.407 9.373 -4.004 1.00 0.00 H new ATOM 386 N ASP A 23 -4.109 11.178 -3.885 1.00 0.00 N ATOM 387 CA ASP A 23 -4.684 11.586 -5.201 1.00 0.00 C ATOM 388 C ASP A 23 -3.629 11.462 -6.306 1.00 0.00 C ATOM 389 O ASP A 23 -2.646 10.763 -6.163 1.00 0.00 O ATOM 390 CB ASP A 23 -5.100 13.046 -5.014 1.00 0.00 C ATOM 391 CG ASP A 23 -3.884 13.877 -4.605 1.00 0.00 C ATOM 392 OD1 ASP A 23 -3.212 14.381 -5.489 1.00 0.00 O ATOM 393 OD2 ASP A 23 -3.645 13.995 -3.415 1.00 0.00 O ATOM 0 H ASP A 23 -3.778 11.945 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.524 10.957 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.524 13.435 -5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.876 13.119 -4.252 1.00 0.00 H new ATOM 398 N ALA A 24 -3.829 12.132 -7.410 1.00 0.00 N ATOM 399 CA ALA A 24 -2.840 12.049 -8.524 1.00 0.00 C ATOM 400 C ALA A 24 -1.820 13.185 -8.415 1.00 0.00 C ATOM 401 O ALA A 24 -0.653 13.012 -8.702 1.00 0.00 O ATOM 402 CB ALA A 24 -3.668 12.196 -9.801 1.00 0.00 C ATOM 0 H ALA A 24 -4.634 12.733 -7.588 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.278 11.115 -8.506 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.010 12.145 -10.669 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.401 11.391 -9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.183 13.156 -9.792 1.00 0.00 H new ATOM 408 N ARG A 25 -2.252 14.346 -8.003 1.00 0.00 N ATOM 409 CA ARG A 25 -1.309 15.486 -7.877 1.00 0.00 C ATOM 410 C ARG A 25 -1.586 16.266 -6.588 1.00 0.00 C ATOM 411 O ARG A 25 -2.711 16.612 -6.290 1.00 0.00 O ATOM 412 CB ARG A 25 -1.567 16.360 -9.108 1.00 0.00 C ATOM 413 CG ARG A 25 -2.986 16.935 -9.047 1.00 0.00 C ATOM 414 CD ARG A 25 -3.458 17.279 -10.463 1.00 0.00 C ATOM 415 NE ARG A 25 -3.692 18.753 -10.449 1.00 0.00 N ATOM 416 CZ ARG A 25 -4.089 19.380 -11.530 1.00 0.00 C ATOM 417 NH1 ARG A 25 -4.283 18.732 -12.653 1.00 0.00 N ATOM 418 NH2 ARG A 25 -4.293 20.669 -11.489 1.00 0.00 N ATOM 0 H ARG A 25 -3.218 14.551 -7.749 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.271 15.157 -7.827 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.838 17.169 -9.150 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.442 15.771 -10.017 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.663 16.213 -8.592 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.002 17.826 -8.420 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.708 17.006 -11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.369 16.738 -10.717 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.541 19.279 -9.588 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.125 17.725 -12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.592 19.235 -13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.143 21.182 -10.620 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.602 21.163 -12.326 1.00 0.00 H new ATOM 432 N ARG A 26 -0.568 16.543 -5.822 1.00 0.00 N ATOM 433 CA ARG A 26 -0.774 17.299 -4.554 1.00 0.00 C ATOM 434 C ARG A 26 -0.869 18.799 -4.844 1.00 0.00 C ATOM 435 O ARG A 26 -0.700 19.237 -5.966 1.00 0.00 O ATOM 436 CB ARG A 26 0.457 16.986 -3.704 1.00 0.00 C ATOM 437 CG ARG A 26 0.570 15.471 -3.510 1.00 0.00 C ATOM 438 CD ARG A 26 2.004 15.021 -3.800 1.00 0.00 C ATOM 439 NE ARG A 26 1.921 14.280 -5.093 1.00 0.00 N ATOM 440 CZ ARG A 26 1.344 13.102 -5.159 1.00 0.00 C ATOM 441 NH1 ARG A 26 0.814 12.552 -4.094 1.00 0.00 N ATOM 442 NH2 ARG A 26 1.295 12.472 -6.302 1.00 0.00 N ATOM 0 H ARG A 26 0.397 16.279 -6.018 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.697 17.018 -4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.355 17.369 -4.189 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.381 17.483 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.293 15.203 -2.490 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.125 14.956 -4.174 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.678 15.874 -3.876 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.387 14.383 -3.003 1.00 0.00 H new ATOM 0 HE ARG A 26 2.318 14.694 -5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.846 13.039 -3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.369 11.637 -4.161 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.703 12.895 -7.135 1.00 0.00 H new ATOM 0 HH22 ARG A 26 0.849 11.557 -6.361 1.00 0.00 H new ATOM 456 N LYS A 27 -1.140 19.593 -3.845 1.00 0.00 N ATOM 457 CA LYS A 27 -1.248 21.063 -4.068 1.00 0.00 C ATOM 458 C LYS A 27 -1.205 21.807 -2.731 1.00 0.00 C ATOM 459 O LYS A 27 -0.302 22.578 -2.467 1.00 0.00 O ATOM 460 CB LYS A 27 -2.604 21.261 -4.746 1.00 0.00 C ATOM 461 CG LYS A 27 -2.414 22.036 -6.052 1.00 0.00 C ATOM 462 CD LYS A 27 -2.654 23.526 -5.804 1.00 0.00 C ATOM 463 CE LYS A 27 -3.316 24.149 -7.035 1.00 0.00 C ATOM 464 NZ LYS A 27 -2.792 25.542 -7.088 1.00 0.00 N ATOM 0 H LYS A 27 -1.291 19.288 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.428 21.450 -4.673 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.066 20.295 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.278 21.804 -4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.406 21.879 -6.437 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.106 21.667 -6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.289 23.662 -4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.709 24.027 -5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.064 23.597 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.402 24.139 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.201 26.036 -7.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.053 26.044 -6.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.756 25.520 -7.178 1.00 0.00 H new ATOM 478 N ARG A 28 -2.171 21.582 -1.885 1.00 0.00 N ATOM 479 CA ARG A 28 -2.185 22.277 -0.566 1.00 0.00 C ATOM 480 C ARG A 28 -1.451 21.432 0.479 1.00 0.00 C ATOM 481 O ARG A 28 -0.758 21.947 1.334 1.00 0.00 O ATOM 482 CB ARG A 28 -3.665 22.416 -0.206 1.00 0.00 C ATOM 483 CG ARG A 28 -3.799 23.097 1.157 1.00 0.00 C ATOM 484 CD ARG A 28 -5.268 23.443 1.415 1.00 0.00 C ATOM 485 NE ARG A 28 -5.740 22.412 2.384 1.00 0.00 N ATOM 486 CZ ARG A 28 -7.001 22.358 2.748 1.00 0.00 C ATOM 487 NH1 ARG A 28 -7.877 23.208 2.273 1.00 0.00 N ATOM 488 NH2 ARG A 28 -7.384 21.444 3.597 1.00 0.00 N ATOM 0 H ARG A 28 -2.952 20.947 -2.049 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.685 23.245 -0.601 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.182 23.000 -0.968 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.138 21.434 -0.181 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.426 22.439 1.942 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.191 24.002 1.184 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.371 24.448 1.825 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.849 23.414 0.493 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.075 21.741 2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.584 23.926 1.610 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.852 23.152 2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.706 20.780 3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.361 21.394 3.886 1.00 0.00 H new ATOM 502 N ASP A 29 -1.598 20.137 0.415 1.00 0.00 N ATOM 503 CA ASP A 29 -0.910 19.256 1.401 1.00 0.00 C ATOM 504 C ASP A 29 -0.578 17.907 0.758 1.00 0.00 C ATOM 505 O ASP A 29 -1.359 17.361 0.005 1.00 0.00 O ATOM 506 CB ASP A 29 -1.916 19.071 2.536 1.00 0.00 C ATOM 507 CG ASP A 29 -1.221 19.310 3.877 1.00 0.00 C ATOM 508 OD1 ASP A 29 -0.509 20.294 3.986 1.00 0.00 O ATOM 509 OD2 ASP A 29 -1.413 18.504 4.773 1.00 0.00 O ATOM 0 H ASP A 29 -2.166 19.650 -0.279 1.00 0.00 H new ATOM 0 HA ASP A 29 0.029 19.683 1.753 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.747 19.766 2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.334 18.065 2.505 1.00 0.00 H new ATOM 514 N GLY A 30 0.573 17.367 1.047 1.00 0.00 N ATOM 515 CA GLY A 30 0.949 16.055 0.449 1.00 0.00 C ATOM 516 C GLY A 30 0.623 14.931 1.435 1.00 0.00 C ATOM 517 O GLY A 30 1.458 14.108 1.748 1.00 0.00 O ATOM 0 H GLY A 30 1.269 17.776 1.670 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.409 15.901 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.012 16.045 0.208 1.00 0.00 H new ATOM 521 N LYS A 31 -0.584 14.893 1.930 1.00 0.00 N ATOM 522 CA LYS A 31 -0.958 13.822 2.898 1.00 0.00 C ATOM 523 C LYS A 31 -1.979 12.868 2.272 1.00 0.00 C ATOM 524 O LYS A 31 -3.090 13.250 1.961 1.00 0.00 O ATOM 525 CB LYS A 31 -1.575 14.560 4.086 1.00 0.00 C ATOM 526 CG LYS A 31 -0.594 14.551 5.258 1.00 0.00 C ATOM 527 CD LYS A 31 -0.298 13.106 5.663 1.00 0.00 C ATOM 528 CE LYS A 31 -0.952 12.807 7.014 1.00 0.00 C ATOM 529 NZ LYS A 31 -2.416 12.819 6.743 1.00 0.00 N ATOM 0 H LYS A 31 -1.326 15.556 1.707 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.100 13.217 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.814 15.586 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.511 14.083 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.329 15.058 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.014 15.098 6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.676 12.420 4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.779 12.949 5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.630 11.841 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.682 13.556 7.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.920 12.380 7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.740 13.801 6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.612 12.285 5.872 1.00 0.00 H new ATOM 543 N TYR A 32 -1.612 11.630 2.087 1.00 0.00 N ATOM 544 CA TYR A 32 -2.564 10.651 1.484 1.00 0.00 C ATOM 545 C TYR A 32 -3.782 10.470 2.389 1.00 0.00 C ATOM 546 O TYR A 32 -3.777 10.860 3.541 1.00 0.00 O ATOM 547 CB TYR A 32 -1.788 9.335 1.384 1.00 0.00 C ATOM 548 CG TYR A 32 -1.207 8.987 2.733 1.00 0.00 C ATOM 549 CD1 TYR A 32 -2.045 8.533 3.758 1.00 0.00 C ATOM 550 CD2 TYR A 32 0.168 9.120 2.959 1.00 0.00 C ATOM 551 CE1 TYR A 32 -1.508 8.210 5.009 1.00 0.00 C ATOM 552 CE2 TYR A 32 0.706 8.798 4.211 1.00 0.00 C ATOM 553 CZ TYR A 32 -0.132 8.343 5.236 1.00 0.00 C ATOM 554 OH TYR A 32 0.398 8.024 6.471 1.00 0.00 O ATOM 0 H TYR A 32 -0.695 11.253 2.327 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.927 10.987 0.513 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.448 8.537 1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.991 9.426 0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.106 8.432 3.583 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.814 9.471 2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.154 7.858 5.800 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.767 8.901 4.386 1.00 0.00 H new ATOM 0 HH TYR A 32 1.367 8.172 6.459 1.00 0.00 H new ATOM 564 N ILE A 33 -4.822 9.872 1.881 1.00 0.00 N ATOM 565 CA ILE A 33 -6.035 9.655 2.714 1.00 0.00 C ATOM 566 C ILE A 33 -5.694 8.731 3.886 1.00 0.00 C ATOM 567 O ILE A 33 -5.849 9.088 5.038 1.00 0.00 O ATOM 568 CB ILE A 33 -7.045 8.990 1.773 1.00 0.00 C ATOM 569 CG1 ILE A 33 -7.474 9.989 0.697 1.00 0.00 C ATOM 570 CG2 ILE A 33 -8.274 8.542 2.568 1.00 0.00 C ATOM 571 CD1 ILE A 33 -7.056 9.470 -0.680 1.00 0.00 C ATOM 0 H ILE A 33 -4.884 9.524 0.924 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.428 10.579 3.138 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.582 8.122 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.554 10.133 0.730 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.017 10.960 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.990 8.070 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.971 7.829 3.335 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -8.737 9.408 3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.362 10.183 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.973 9.348 -0.710 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.534 8.509 -0.867 1.00 0.00 H new ATOM 583 N GLU A 34 -5.228 7.546 3.600 1.00 0.00 N ATOM 584 CA GLU A 34 -4.875 6.599 4.693 1.00 0.00 C ATOM 585 C GLU A 34 -3.658 5.761 4.288 1.00 0.00 C ATOM 586 O GLU A 34 -3.189 5.829 3.170 1.00 0.00 O ATOM 587 CB GLU A 34 -6.107 5.707 4.856 1.00 0.00 C ATOM 588 CG GLU A 34 -7.207 6.472 5.599 1.00 0.00 C ATOM 589 CD GLU A 34 -8.540 5.730 5.460 1.00 0.00 C ATOM 590 OE1 GLU A 34 -8.536 4.633 4.926 1.00 0.00 O ATOM 591 OE2 GLU A 34 -9.543 6.275 5.890 1.00 0.00 O ATOM 0 H GLU A 34 -5.077 7.193 2.655 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.617 7.112 5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.469 5.389 3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.843 4.804 5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.945 6.573 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.298 7.480 5.195 1.00 0.00 H new ATOM 598 N LYS A 35 -3.147 4.965 5.189 1.00 0.00 N ATOM 599 CA LYS A 35 -1.965 4.117 4.855 1.00 0.00 C ATOM 600 C LYS A 35 -2.388 2.646 4.800 1.00 0.00 C ATOM 601 O LYS A 35 -2.794 2.073 5.792 1.00 0.00 O ATOM 602 CB LYS A 35 -0.975 4.353 5.996 1.00 0.00 C ATOM 603 CG LYS A 35 0.365 3.701 5.654 1.00 0.00 C ATOM 604 CD LYS A 35 0.360 2.247 6.128 1.00 0.00 C ATOM 605 CE LYS A 35 1.519 2.021 7.102 1.00 0.00 C ATOM 606 NZ LYS A 35 0.932 1.232 8.221 1.00 0.00 N ATOM 0 H LYS A 35 -3.497 4.865 6.142 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.529 4.364 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.840 5.422 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.367 3.937 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.538 3.744 4.579 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.179 4.247 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.588 2.016 6.614 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.453 1.575 5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.337 1.481 6.624 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.927 2.967 7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.667 1.037 8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.161 1.774 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.558 0.334 7.854 1.00 0.00 H new ATOM 620 N ILE A 36 -2.308 2.031 3.651 1.00 0.00 N ATOM 621 CA ILE A 36 -2.726 0.596 3.551 1.00 0.00 C ATOM 622 C ILE A 36 -1.528 -0.313 3.359 1.00 0.00 C ATOM 623 O ILE A 36 -1.473 -1.401 3.899 1.00 0.00 O ATOM 624 CB ILE A 36 -3.648 0.522 2.338 1.00 0.00 C ATOM 625 CG1 ILE A 36 -2.872 0.922 1.069 1.00 0.00 C ATOM 626 CG2 ILE A 36 -4.829 1.466 2.561 1.00 0.00 C ATOM 627 CD1 ILE A 36 -3.814 0.964 -0.131 1.00 0.00 C ATOM 0 H ILE A 36 -1.975 2.452 2.783 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.222 0.265 4.464 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.017 -0.496 2.209 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.407 1.898 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.068 0.209 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.497 1.423 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.372 1.164 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.462 2.485 2.685 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.255 1.248 -1.023 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.258 -0.020 -0.279 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.602 1.694 0.051 1.00 0.00 H new ATOM 639 N GLY A 37 -0.587 0.096 2.572 1.00 0.00 N ATOM 640 CA GLY A 37 0.577 -0.778 2.330 1.00 0.00 C ATOM 641 C GLY A 37 1.855 -0.217 2.939 1.00 0.00 C ATOM 642 O GLY A 37 1.947 0.940 3.296 1.00 0.00 O ATOM 0 H GLY A 37 -0.573 0.994 2.088 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.381 -1.765 2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.715 -0.908 1.257 1.00 0.00 H new ATOM 646 N TYR A 38 2.858 -1.048 2.996 1.00 0.00 N ATOM 647 CA TYR A 38 4.192 -0.625 3.508 1.00 0.00 C ATOM 648 C TYR A 38 5.268 -1.286 2.641 1.00 0.00 C ATOM 649 O TYR A 38 5.271 -2.490 2.469 1.00 0.00 O ATOM 650 CB TYR A 38 4.270 -1.134 4.947 1.00 0.00 C ATOM 651 CG TYR A 38 5.613 -0.765 5.534 1.00 0.00 C ATOM 652 CD1 TYR A 38 5.881 0.563 5.889 1.00 0.00 C ATOM 653 CD2 TYR A 38 6.589 -1.751 5.729 1.00 0.00 C ATOM 654 CE1 TYR A 38 7.124 0.904 6.436 1.00 0.00 C ATOM 655 CE2 TYR A 38 7.831 -1.408 6.277 1.00 0.00 C ATOM 656 CZ TYR A 38 8.098 -0.081 6.631 1.00 0.00 C ATOM 657 OH TYR A 38 9.323 0.256 7.171 1.00 0.00 O ATOM 0 H TYR A 38 2.808 -2.024 2.703 1.00 0.00 H new ATOM 0 HA TYR A 38 4.338 0.455 3.475 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.468 -0.699 5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 38 4.134 -2.215 4.971 1.00 0.00 H new ATOM 0 HD1 TYR A 38 5.129 1.324 5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.383 -2.776 5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 38 7.331 1.929 6.708 1.00 0.00 H new ATOM 0 HE2 TYR A 38 8.583 -2.168 6.427 1.00 0.00 H new ATOM 0 HH TYR A 38 9.882 -0.546 7.240 1.00 0.00 H new ATOM 667 N TYR A 39 6.178 -0.530 2.086 1.00 0.00 N ATOM 668 CA TYR A 39 7.229 -1.163 1.236 1.00 0.00 C ATOM 669 C TYR A 39 8.616 -0.924 1.849 1.00 0.00 C ATOM 670 O TYR A 39 8.912 0.149 2.334 1.00 0.00 O ATOM 671 CB TYR A 39 7.127 -0.487 -0.135 1.00 0.00 C ATOM 672 CG TYR A 39 8.261 -0.958 -1.022 1.00 0.00 C ATOM 673 CD1 TYR A 39 9.549 -0.437 -0.856 1.00 0.00 C ATOM 674 CD2 TYR A 39 8.021 -1.924 -2.006 1.00 0.00 C ATOM 675 CE1 TYR A 39 10.595 -0.882 -1.672 1.00 0.00 C ATOM 676 CE2 TYR A 39 9.067 -2.368 -2.824 1.00 0.00 C ATOM 677 CZ TYR A 39 10.355 -1.847 -2.656 1.00 0.00 C ATOM 678 OH TYR A 39 11.387 -2.286 -3.460 1.00 0.00 O ATOM 0 H TYR A 39 6.240 0.484 2.182 1.00 0.00 H new ATOM 0 HA TYR A 39 7.089 -2.241 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 39 6.169 -0.723 -0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.167 0.596 -0.021 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.736 0.309 -0.098 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.027 -2.328 -2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 39 11.589 -0.480 -1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.880 -3.112 -3.584 1.00 0.00 H new ATOM 0 HH TYR A 39 11.049 -2.957 -4.089 1.00 0.00 H new ATOM 688 N ASP A 40 9.472 -1.908 1.818 1.00 0.00 N ATOM 689 CA ASP A 40 10.840 -1.724 2.386 1.00 0.00 C ATOM 690 C ASP A 40 11.874 -2.419 1.490 1.00 0.00 C ATOM 691 O ASP A 40 11.976 -3.627 1.491 1.00 0.00 O ATOM 692 CB ASP A 40 10.787 -2.384 3.764 1.00 0.00 C ATOM 693 CG ASP A 40 11.634 -1.575 4.749 1.00 0.00 C ATOM 694 OD1 ASP A 40 11.745 -0.375 4.558 1.00 0.00 O ATOM 695 OD2 ASP A 40 12.157 -2.169 5.678 1.00 0.00 O ATOM 0 H ASP A 40 9.285 -2.830 1.425 1.00 0.00 H new ATOM 0 HA ASP A 40 11.129 -0.675 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.756 -2.439 4.114 1.00 0.00 H new ATOM 0 HB3 ASP A 40 11.158 -3.407 3.704 1.00 0.00 H new ATOM 700 N PRO A 41 12.607 -1.638 0.737 1.00 0.00 N ATOM 701 CA PRO A 41 13.620 -2.219 -0.171 1.00 0.00 C ATOM 702 C PRO A 41 14.873 -2.633 0.607 1.00 0.00 C ATOM 703 O PRO A 41 15.863 -1.929 0.626 1.00 0.00 O ATOM 704 CB PRO A 41 13.942 -1.076 -1.128 1.00 0.00 C ATOM 705 CG PRO A 41 13.614 0.175 -0.374 1.00 0.00 C ATOM 706 CD PRO A 41 12.569 -0.172 0.658 1.00 0.00 C ATOM 0 HA PRO A 41 13.266 -3.116 -0.679 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.991 -1.094 -1.423 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.353 -1.150 -2.042 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.506 0.578 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 41 13.242 0.944 -1.052 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.795 0.284 1.622 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.583 0.185 0.361 1.00 0.00 H new ATOM 714 N ARG A 42 14.842 -3.768 1.250 1.00 0.00 N ATOM 715 CA ARG A 42 16.032 -4.217 2.019 1.00 0.00 C ATOM 716 C ARG A 42 16.930 -5.096 1.143 1.00 0.00 C ATOM 717 O ARG A 42 16.493 -5.660 0.160 1.00 0.00 O ATOM 718 CB ARG A 42 15.469 -5.016 3.195 1.00 0.00 C ATOM 719 CG ARG A 42 15.418 -4.123 4.437 1.00 0.00 C ATOM 720 CD ARG A 42 14.541 -4.777 5.507 1.00 0.00 C ATOM 721 NE ARG A 42 15.364 -4.739 6.752 1.00 0.00 N ATOM 722 CZ ARG A 42 14.878 -5.170 7.892 1.00 0.00 C ATOM 723 NH1 ARG A 42 13.657 -5.639 7.973 1.00 0.00 N ATOM 724 NH2 ARG A 42 15.623 -5.130 8.963 1.00 0.00 N ATOM 0 H ARG A 42 14.043 -4.402 1.275 1.00 0.00 H new ATOM 0 HA ARG A 42 16.645 -3.381 2.356 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.471 -5.382 2.956 1.00 0.00 H new ATOM 0 HB3 ARG A 42 16.092 -5.890 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 42 16.424 -3.965 4.825 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.019 -3.143 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 42 13.604 -4.235 5.636 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.282 -5.800 5.235 1.00 0.00 H new ATOM 0 HE ARG A 42 16.316 -4.374 6.716 1.00 0.00 H new ATOM 0 HH11 ARG A 42 13.068 -5.673 7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 42 13.296 -5.970 8.868 1.00 0.00 H new ATOM 0 HH21 ARG A 42 16.574 -4.766 8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 42 15.254 -5.463 9.854 1.00 0.00 H new ATOM 738 N LYS A 43 18.186 -5.214 1.488 1.00 0.00 N ATOM 739 CA LYS A 43 19.107 -6.056 0.669 1.00 0.00 C ATOM 740 C LYS A 43 19.498 -7.323 1.437 1.00 0.00 C ATOM 741 O LYS A 43 20.632 -7.758 1.399 1.00 0.00 O ATOM 742 CB LYS A 43 20.336 -5.176 0.420 1.00 0.00 C ATOM 743 CG LYS A 43 21.033 -4.871 1.748 1.00 0.00 C ATOM 744 CD LYS A 43 22.393 -5.571 1.781 1.00 0.00 C ATOM 745 CE LYS A 43 23.403 -4.690 2.521 1.00 0.00 C ATOM 746 NZ LYS A 43 24.736 -5.135 2.028 1.00 0.00 N ATOM 0 H LYS A 43 18.612 -4.765 2.299 1.00 0.00 H new ATOM 0 HA LYS A 43 18.645 -6.383 -0.262 1.00 0.00 H new ATOM 0 HB2 LYS A 43 21.026 -5.682 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 43 20.037 -4.247 -0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 43 21.163 -3.795 1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 43 20.417 -5.210 2.581 1.00 0.00 H new ATOM 0 HD2 LYS A 43 22.305 -6.537 2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 43 22.739 -5.765 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 43 23.236 -3.634 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 43 23.319 -4.815 3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 25.481 -4.576 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 24.870 -6.142 2.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 24.789 -4.998 0.998 1.00 0.00 H new ATOM 760 N THR A 44 18.568 -7.917 2.132 1.00 0.00 N ATOM 761 CA THR A 44 18.887 -9.156 2.900 1.00 0.00 C ATOM 762 C THR A 44 18.105 -10.342 2.331 1.00 0.00 C ATOM 763 O THR A 44 18.654 -11.201 1.670 1.00 0.00 O ATOM 764 CB THR A 44 18.444 -8.858 4.334 1.00 0.00 C ATOM 765 OG1 THR A 44 17.154 -8.263 4.312 1.00 0.00 O ATOM 766 CG2 THR A 44 19.439 -7.900 4.990 1.00 0.00 C ATOM 0 H THR A 44 17.601 -7.599 2.202 1.00 0.00 H new ATOM 0 HA THR A 44 19.944 -9.417 2.847 1.00 0.00 H new ATOM 0 HB THR A 44 18.409 -9.786 4.905 1.00 0.00 H new ATOM 0 HG1 THR A 44 16.866 -8.072 5.229 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.122 -7.689 6.011 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.428 -8.357 5.005 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.477 -6.970 4.422 1.00 0.00 H new ATOM 774 N THR A 45 16.825 -10.394 2.581 1.00 0.00 N ATOM 775 CA THR A 45 16.006 -11.523 2.053 1.00 0.00 C ATOM 776 C THR A 45 14.788 -10.979 1.296 1.00 0.00 C ATOM 777 O THR A 45 14.359 -9.869 1.540 1.00 0.00 O ATOM 778 CB THR A 45 15.558 -12.303 3.290 1.00 0.00 C ATOM 779 OG1 THR A 45 14.707 -11.484 4.080 1.00 0.00 O ATOM 780 CG2 THR A 45 16.782 -12.712 4.112 1.00 0.00 C ATOM 0 H THR A 45 16.311 -9.704 3.128 1.00 0.00 H new ATOM 0 HA THR A 45 16.565 -12.149 1.357 1.00 0.00 H new ATOM 0 HB THR A 45 15.018 -13.198 2.979 1.00 0.00 H new ATOM 0 HG1 THR A 45 14.417 -11.982 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 45 16.460 -13.268 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 45 17.434 -13.340 3.505 1.00 0.00 H new ATOM 0 HG23 THR A 45 17.325 -11.820 4.424 1.00 0.00 H new ATOM 788 N PRO A 46 14.266 -11.778 0.399 1.00 0.00 N ATOM 789 CA PRO A 46 13.083 -11.355 -0.390 1.00 0.00 C ATOM 790 C PRO A 46 11.826 -11.369 0.484 1.00 0.00 C ATOM 791 O PRO A 46 10.899 -12.116 0.240 1.00 0.00 O ATOM 792 CB PRO A 46 12.991 -12.407 -1.492 1.00 0.00 C ATOM 793 CG PRO A 46 13.669 -13.617 -0.933 1.00 0.00 C ATOM 794 CD PRO A 46 14.716 -13.131 0.037 1.00 0.00 C ATOM 0 HA PRO A 46 13.169 -10.342 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 46 11.953 -12.620 -1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 46 13.481 -12.066 -2.404 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.950 -14.264 -0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 46 14.125 -14.205 -1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.780 -13.778 0.912 1.00 0.00 H new ATOM 0 HD3 PRO A 46 15.706 -13.114 -0.420 1.00 0.00 H new ATOM 802 N ASP A 47 11.784 -10.548 1.500 1.00 0.00 N ATOM 803 CA ASP A 47 10.583 -10.520 2.386 1.00 0.00 C ATOM 804 C ASP A 47 10.450 -9.153 3.064 1.00 0.00 C ATOM 805 O ASP A 47 10.831 -8.975 4.205 1.00 0.00 O ATOM 806 CB ASP A 47 10.832 -11.613 3.427 1.00 0.00 C ATOM 807 CG ASP A 47 10.290 -12.945 2.907 1.00 0.00 C ATOM 808 OD1 ASP A 47 9.089 -13.146 2.988 1.00 0.00 O ATOM 809 OD2 ASP A 47 11.085 -13.743 2.437 1.00 0.00 O ATOM 0 H ASP A 47 12.527 -9.897 1.754 1.00 0.00 H new ATOM 0 HA ASP A 47 9.660 -10.687 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.899 -11.698 3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.346 -11.352 4.367 1.00 0.00 H new ATOM 814 N TRP A 48 9.915 -8.185 2.371 1.00 0.00 N ATOM 815 CA TRP A 48 9.760 -6.822 2.978 1.00 0.00 C ATOM 816 C TRP A 48 8.364 -6.243 2.705 1.00 0.00 C ATOM 817 O TRP A 48 7.853 -5.457 3.476 1.00 0.00 O ATOM 818 CB TRP A 48 10.836 -5.930 2.328 1.00 0.00 C ATOM 819 CG TRP A 48 10.990 -6.249 0.867 1.00 0.00 C ATOM 820 CD1 TRP A 48 11.994 -6.983 0.338 1.00 0.00 C ATOM 821 CD2 TRP A 48 10.138 -5.863 -0.250 1.00 0.00 C ATOM 822 NE1 TRP A 48 11.806 -7.086 -1.027 1.00 0.00 N ATOM 823 CE2 TRP A 48 10.675 -6.411 -1.439 1.00 0.00 C ATOM 824 CE3 TRP A 48 8.962 -5.103 -0.347 1.00 0.00 C ATOM 825 CZ2 TRP A 48 10.064 -6.215 -2.678 1.00 0.00 C ATOM 826 CZ3 TRP A 48 8.343 -4.902 -1.590 1.00 0.00 C ATOM 827 CH2 TRP A 48 8.892 -5.458 -2.754 1.00 0.00 C ATOM 0 H TRP A 48 9.578 -8.274 1.412 1.00 0.00 H new ATOM 0 HA TRP A 48 9.876 -6.873 4.061 1.00 0.00 H new ATOM 0 HB2 TRP A 48 10.565 -4.881 2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 48 11.789 -6.074 2.838 1.00 0.00 H new ATOM 0 HD1 TRP A 48 12.812 -7.419 0.893 1.00 0.00 H new ATOM 0 HE1 TRP A 48 12.427 -7.598 -1.653 1.00 0.00 H new ATOM 0 HE3 TRP A 48 8.530 -4.669 0.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.493 -6.645 -3.571 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.438 -4.315 -1.650 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.410 -5.302 -3.708 1.00 0.00 H new ATOM 838 N LEU A 49 7.748 -6.609 1.615 1.00 0.00 N ATOM 839 CA LEU A 49 6.397 -6.060 1.300 1.00 0.00 C ATOM 840 C LEU A 49 5.407 -6.355 2.431 1.00 0.00 C ATOM 841 O LEU A 49 5.185 -7.492 2.799 1.00 0.00 O ATOM 842 CB LEU A 49 5.973 -6.778 0.021 1.00 0.00 C ATOM 843 CG LEU A 49 4.780 -6.054 -0.600 1.00 0.00 C ATOM 844 CD1 LEU A 49 5.086 -5.730 -2.062 1.00 0.00 C ATOM 845 CD2 LEU A 49 3.544 -6.953 -0.526 1.00 0.00 C ATOM 0 H LEU A 49 8.121 -7.264 0.928 1.00 0.00 H new ATOM 0 HA LEU A 49 6.416 -4.977 1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.803 -6.805 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.709 -7.812 0.243 1.00 0.00 H new ATOM 0 HG LEU A 49 4.591 -5.130 -0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.235 -5.213 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.967 -5.091 -2.116 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.274 -6.655 -2.608 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.692 -6.437 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.733 -7.877 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.325 -7.186 0.516 1.00 0.00 H new ATOM 857 N LYS A 50 4.802 -5.333 2.971 1.00 0.00 N ATOM 858 CA LYS A 50 3.811 -5.532 4.067 1.00 0.00 C ATOM 859 C LYS A 50 2.563 -4.701 3.775 1.00 0.00 C ATOM 860 O LYS A 50 2.549 -3.501 3.969 1.00 0.00 O ATOM 861 CB LYS A 50 4.505 -5.026 5.333 1.00 0.00 C ATOM 862 CG LYS A 50 5.654 -5.964 5.699 1.00 0.00 C ATOM 863 CD LYS A 50 5.809 -6.011 7.220 1.00 0.00 C ATOM 864 CE LYS A 50 6.978 -5.119 7.644 1.00 0.00 C ATOM 865 NZ LYS A 50 8.183 -5.989 7.541 1.00 0.00 N ATOM 0 H LYS A 50 4.953 -4.362 2.698 1.00 0.00 H new ATOM 0 HA LYS A 50 3.500 -6.572 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.884 -4.016 5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.791 -4.972 6.154 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.459 -6.964 5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.580 -5.619 5.239 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.890 -5.676 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.983 -7.036 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.064 -4.247 6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.844 -4.749 8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.027 -5.447 7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.075 -6.807 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.289 -6.321 6.561 1.00 0.00 H new ATOM 879 N VAL A 51 1.519 -5.317 3.291 1.00 0.00 N ATOM 880 CA VAL A 51 0.292 -4.533 2.975 1.00 0.00 C ATOM 881 C VAL A 51 -0.948 -5.162 3.603 1.00 0.00 C ATOM 882 O VAL A 51 -1.191 -6.347 3.484 1.00 0.00 O ATOM 883 CB VAL A 51 0.196 -4.545 1.427 1.00 0.00 C ATOM 884 CG1 VAL A 51 -1.265 -4.624 0.945 1.00 0.00 C ATOM 885 CG2 VAL A 51 0.794 -3.263 0.870 1.00 0.00 C ATOM 0 H VAL A 51 1.462 -6.318 3.102 1.00 0.00 H new ATOM 0 HA VAL A 51 0.347 -3.521 3.375 1.00 0.00 H new ATOM 0 HB VAL A 51 0.738 -5.424 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.289 -4.630 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.724 -5.537 1.323 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.817 -3.760 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.726 -3.272 -0.218 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.245 -2.406 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.840 -3.190 1.168 1.00 0.00 H new ATOM 895 N ASP A 52 -1.772 -4.353 4.194 1.00 0.00 N ATOM 896 CA ASP A 52 -3.039 -4.880 4.740 1.00 0.00 C ATOM 897 C ASP A 52 -3.964 -5.060 3.543 1.00 0.00 C ATOM 898 O ASP A 52 -4.897 -4.304 3.357 1.00 0.00 O ATOM 899 CB ASP A 52 -3.565 -3.793 5.680 1.00 0.00 C ATOM 900 CG ASP A 52 -4.496 -4.420 6.719 1.00 0.00 C ATOM 901 OD1 ASP A 52 -5.295 -5.261 6.340 1.00 0.00 O ATOM 902 OD2 ASP A 52 -4.392 -4.051 7.877 1.00 0.00 O ATOM 0 H ASP A 52 -1.622 -3.352 4.321 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.947 -5.823 5.278 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.733 -3.294 6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.099 -3.032 5.110 1.00 0.00 H new ATOM 907 N VAL A 53 -3.663 -6.029 2.699 1.00 0.00 N ATOM 908 CA VAL A 53 -4.470 -6.264 1.451 1.00 0.00 C ATOM 909 C VAL A 53 -5.960 -5.988 1.691 1.00 0.00 C ATOM 910 O VAL A 53 -6.655 -5.547 0.803 1.00 0.00 O ATOM 911 CB VAL A 53 -4.194 -7.728 1.016 1.00 0.00 C ATOM 912 CG1 VAL A 53 -4.063 -8.655 2.226 1.00 0.00 C ATOM 913 CG2 VAL A 53 -5.325 -8.241 0.114 1.00 0.00 C ATOM 0 H VAL A 53 -2.883 -6.674 2.825 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.180 -5.579 0.655 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.252 -7.732 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.870 -9.672 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.237 -8.320 2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.988 -8.634 2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -5.116 -9.269 -0.182 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.269 -8.205 0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.394 -7.614 -0.775 1.00 0.00 H new ATOM 923 N GLU A 54 -6.451 -6.204 2.879 1.00 0.00 N ATOM 924 CA GLU A 54 -7.881 -5.899 3.132 1.00 0.00 C ATOM 925 C GLU A 54 -8.118 -4.413 2.875 1.00 0.00 C ATOM 926 O GLU A 54 -8.970 -4.033 2.097 1.00 0.00 O ATOM 927 CB GLU A 54 -8.124 -6.252 4.599 1.00 0.00 C ATOM 928 CG GLU A 54 -9.364 -7.139 4.713 1.00 0.00 C ATOM 929 CD GLU A 54 -10.544 -6.302 5.208 1.00 0.00 C ATOM 930 OE1 GLU A 54 -10.521 -5.905 6.362 1.00 0.00 O ATOM 931 OE2 GLU A 54 -11.451 -6.069 4.426 1.00 0.00 O ATOM 0 H GLU A 54 -5.930 -6.574 3.674 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.557 -6.458 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.256 -6.769 5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.259 -5.343 5.185 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.599 -7.581 3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.174 -7.962 5.402 1.00 0.00 H new ATOM 938 N ARG A 55 -7.347 -3.569 3.502 1.00 0.00 N ATOM 939 CA ARG A 55 -7.501 -2.111 3.271 1.00 0.00 C ATOM 940 C ARG A 55 -6.928 -1.770 1.898 1.00 0.00 C ATOM 941 O ARG A 55 -7.476 -0.982 1.162 1.00 0.00 O ATOM 942 CB ARG A 55 -6.700 -1.434 4.381 1.00 0.00 C ATOM 943 CG ARG A 55 -7.576 -1.300 5.626 1.00 0.00 C ATOM 944 CD ARG A 55 -8.109 0.130 5.732 1.00 0.00 C ATOM 945 NE ARG A 55 -6.898 0.974 5.949 1.00 0.00 N ATOM 946 CZ ARG A 55 -6.994 2.164 6.494 1.00 0.00 C ATOM 947 NH1 ARG A 55 -8.157 2.654 6.844 1.00 0.00 N ATOM 948 NH2 ARG A 55 -5.915 2.872 6.687 1.00 0.00 N ATOM 0 H ARG A 55 -6.617 -3.829 4.165 1.00 0.00 H new ATOM 0 HA ARG A 55 -8.541 -1.784 3.289 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -5.809 -2.018 4.610 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -6.361 -0.451 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.406 -2.005 5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.999 -1.550 6.516 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.638 0.423 4.825 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.813 0.229 6.558 1.00 0.00 H new ATOM 0 HE ARG A 55 -5.983 0.621 5.670 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -9.006 2.109 6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -8.214 3.581 7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.005 2.500 6.415 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -5.981 3.798 7.110 1.00 0.00 H new ATOM 962 N ALA A 56 -5.848 -2.393 1.523 1.00 0.00 N ATOM 963 CA ALA A 56 -5.286 -2.132 0.180 1.00 0.00 C ATOM 964 C ALA A 56 -6.315 -2.612 -0.852 1.00 0.00 C ATOM 965 O ALA A 56 -6.288 -2.221 -2.002 1.00 0.00 O ATOM 966 CB ALA A 56 -3.977 -2.929 0.131 1.00 0.00 C ATOM 0 H ALA A 56 -5.335 -3.069 2.089 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.081 -1.083 -0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.500 -2.785 -0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.309 -2.581 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.190 -3.988 0.277 1.00 0.00 H new ATOM 972 N ARG A 57 -7.254 -3.440 -0.431 1.00 0.00 N ATOM 973 CA ARG A 57 -8.302 -3.914 -1.364 1.00 0.00 C ATOM 974 C ARG A 57 -9.487 -2.936 -1.337 1.00 0.00 C ATOM 975 O ARG A 57 -10.216 -2.799 -2.299 1.00 0.00 O ATOM 976 CB ARG A 57 -8.722 -5.292 -0.846 1.00 0.00 C ATOM 977 CG ARG A 57 -9.888 -5.821 -1.682 1.00 0.00 C ATOM 978 CD ARG A 57 -9.569 -7.240 -2.158 1.00 0.00 C ATOM 979 NE ARG A 57 -10.463 -7.463 -3.332 1.00 0.00 N ATOM 980 CZ ARG A 57 -10.214 -8.422 -4.194 1.00 0.00 C ATOM 981 NH1 ARG A 57 -9.176 -9.208 -4.046 1.00 0.00 N ATOM 982 NH2 ARG A 57 -11.011 -8.594 -5.213 1.00 0.00 N ATOM 0 H ARG A 57 -7.327 -3.799 0.521 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.949 -3.973 -2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.881 -5.983 -0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.014 -5.224 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.803 -5.821 -1.090 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.062 -5.169 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.520 -7.336 -2.437 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.759 -7.972 -1.373 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.277 -6.863 -3.466 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.548 -9.079 -3.253 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.996 -9.948 -4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.821 -7.986 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.824 -9.337 -5.887 1.00 0.00 H new ATOM 996 N TYR A 58 -9.654 -2.230 -0.245 1.00 0.00 N ATOM 997 CA TYR A 58 -10.752 -1.226 -0.143 1.00 0.00 C ATOM 998 C TYR A 58 -10.529 -0.216 -1.244 1.00 0.00 C ATOM 999 O TYR A 58 -11.419 0.212 -1.955 1.00 0.00 O ATOM 1000 CB TYR A 58 -10.527 -0.581 1.237 1.00 0.00 C ATOM 1001 CG TYR A 58 -11.053 0.846 1.301 1.00 0.00 C ATOM 1002 CD1 TYR A 58 -12.236 1.192 0.639 1.00 0.00 C ATOM 1003 CD2 TYR A 58 -10.352 1.821 2.032 1.00 0.00 C ATOM 1004 CE1 TYR A 58 -12.721 2.503 0.705 1.00 0.00 C ATOM 1005 CE2 TYR A 58 -10.839 3.132 2.094 1.00 0.00 C ATOM 1006 CZ TYR A 58 -12.024 3.472 1.433 1.00 0.00 C ATOM 1007 OH TYR A 58 -12.504 4.763 1.497 1.00 0.00 O ATOM 0 H TYR A 58 -9.069 -2.310 0.587 1.00 0.00 H new ATOM 0 HA TYR A 58 -11.759 -1.631 -0.240 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -11.020 -1.182 2.001 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -9.462 -0.584 1.467 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -12.776 0.446 0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -9.439 1.559 2.545 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -13.635 2.767 0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.299 3.882 2.653 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.798 5.388 1.231 1.00 0.00 H new ATOM 1017 N TRP A 59 -9.310 0.161 -1.349 1.00 0.00 N ATOM 1018 CA TRP A 59 -8.902 1.153 -2.352 1.00 0.00 C ATOM 1019 C TRP A 59 -9.055 0.576 -3.743 1.00 0.00 C ATOM 1020 O TRP A 59 -9.818 1.068 -4.547 1.00 0.00 O ATOM 1021 CB TRP A 59 -7.462 1.449 -1.973 1.00 0.00 C ATOM 1022 CG TRP A 59 -7.554 2.213 -0.705 1.00 0.00 C ATOM 1023 CD1 TRP A 59 -7.111 1.821 0.509 1.00 0.00 C ATOM 1024 CD2 TRP A 59 -8.216 3.475 -0.512 1.00 0.00 C ATOM 1025 NE1 TRP A 59 -7.422 2.807 1.432 1.00 0.00 N ATOM 1026 CE2 TRP A 59 -8.113 3.848 0.844 1.00 0.00 C ATOM 1027 CE3 TRP A 59 -8.876 4.329 -1.397 1.00 0.00 C ATOM 1028 CZ2 TRP A 59 -8.657 5.044 1.309 1.00 0.00 C ATOM 1029 CZ3 TRP A 59 -9.427 5.530 -0.938 1.00 0.00 C ATOM 1030 CH2 TRP A 59 -9.320 5.889 0.411 1.00 0.00 C ATOM 0 H TRP A 59 -8.551 -0.187 -0.763 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.503 2.062 -2.366 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -6.891 0.530 -1.841 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.960 2.028 -2.748 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -6.600 0.894 0.725 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.172 2.769 2.420 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.962 4.062 -2.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -8.568 5.316 2.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -9.938 6.184 -1.629 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -9.749 6.817 0.759 1.00 0.00 H new ATOM 1041 N LEU A 60 -8.382 -0.493 -4.025 1.00 0.00 N ATOM 1042 CA LEU A 60 -8.546 -1.120 -5.363 1.00 0.00 C ATOM 1043 C LEU A 60 -10.037 -1.385 -5.606 1.00 0.00 C ATOM 1044 O LEU A 60 -10.483 -1.506 -6.730 1.00 0.00 O ATOM 1045 CB LEU A 60 -7.765 -2.431 -5.298 1.00 0.00 C ATOM 1046 CG LEU A 60 -6.338 -2.194 -5.790 1.00 0.00 C ATOM 1047 CD1 LEU A 60 -5.402 -3.223 -5.157 1.00 0.00 C ATOM 1048 CD2 LEU A 60 -6.296 -2.333 -7.314 1.00 0.00 C ATOM 0 H LEU A 60 -7.729 -0.961 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.183 -0.489 -6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.751 -2.809 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.252 -3.189 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.017 -1.191 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.384 -3.054 -5.508 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.433 -3.124 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.721 -4.227 -5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.279 -2.164 -7.667 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.617 -3.336 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.963 -1.598 -7.765 1.00 0.00 H new ATOM 1060 N SER A 61 -10.813 -1.464 -4.549 1.00 0.00 N ATOM 1061 CA SER A 61 -12.270 -1.704 -4.711 1.00 0.00 C ATOM 1062 C SER A 61 -12.991 -0.391 -5.046 1.00 0.00 C ATOM 1063 O SER A 61 -14.093 -0.397 -5.557 1.00 0.00 O ATOM 1064 CB SER A 61 -12.742 -2.258 -3.368 1.00 0.00 C ATOM 1065 OG SER A 61 -14.156 -2.406 -3.393 1.00 0.00 O ATOM 0 H SER A 61 -10.493 -1.372 -3.585 1.00 0.00 H new ATOM 0 HA SER A 61 -12.484 -2.396 -5.525 1.00 0.00 H new ATOM 0 HB2 SER A 61 -12.267 -3.219 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.449 -1.586 -2.561 1.00 0.00 H new ATOM 0 HG SER A 61 -14.463 -2.763 -2.533 1.00 0.00 H new ATOM 1071 N VAL A 62 -12.381 0.740 -4.774 1.00 0.00 N ATOM 1072 CA VAL A 62 -13.049 2.027 -5.096 1.00 0.00 C ATOM 1073 C VAL A 62 -12.504 2.559 -6.423 1.00 0.00 C ATOM 1074 O VAL A 62 -12.400 3.750 -6.640 1.00 0.00 O ATOM 1075 CB VAL A 62 -12.718 2.993 -3.935 1.00 0.00 C ATOM 1076 CG1 VAL A 62 -12.946 2.313 -2.581 1.00 0.00 C ATOM 1077 CG2 VAL A 62 -11.256 3.464 -4.015 1.00 0.00 C ATOM 0 H VAL A 62 -11.458 0.820 -4.347 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.128 1.915 -5.202 1.00 0.00 H new ATOM 0 HB VAL A 62 -13.381 3.853 -4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -12.707 3.011 -1.779 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.989 2.008 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -12.304 1.436 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -11.047 4.143 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -10.592 2.602 -3.954 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.092 3.982 -4.960 1.00 0.00 H new ATOM 1087 N GLY A 63 -12.146 1.672 -7.303 1.00 0.00 N ATOM 1088 CA GLY A 63 -11.594 2.098 -8.620 1.00 0.00 C ATOM 1089 C GLY A 63 -10.212 2.719 -8.410 1.00 0.00 C ATOM 1090 O GLY A 63 -9.758 3.529 -9.194 1.00 0.00 O ATOM 0 H GLY A 63 -12.211 0.663 -7.168 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.523 1.243 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -12.262 2.819 -9.092 1.00 0.00 H new ATOM 1094 N ALA A 64 -9.537 2.347 -7.355 1.00 0.00 N ATOM 1095 CA ALA A 64 -8.188 2.915 -7.097 1.00 0.00 C ATOM 1096 C ALA A 64 -7.186 2.369 -8.116 1.00 0.00 C ATOM 1097 O ALA A 64 -7.058 1.174 -8.295 1.00 0.00 O ATOM 1098 CB ALA A 64 -7.832 2.458 -5.683 1.00 0.00 C ATOM 0 H ALA A 64 -9.864 1.674 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 64 -8.167 4.001 -7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.846 2.838 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.571 2.841 -4.980 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.824 1.369 -5.644 1.00 0.00 H new ATOM 1104 N GLN A 65 -6.479 3.232 -8.792 1.00 0.00 N ATOM 1105 CA GLN A 65 -5.492 2.757 -9.803 1.00 0.00 C ATOM 1106 C GLN A 65 -4.095 2.649 -9.175 1.00 0.00 C ATOM 1107 O GLN A 65 -3.493 3.652 -8.842 1.00 0.00 O ATOM 1108 CB GLN A 65 -5.504 3.826 -10.896 1.00 0.00 C ATOM 1109 CG GLN A 65 -5.923 3.191 -12.224 1.00 0.00 C ATOM 1110 CD GLN A 65 -5.769 4.213 -13.350 1.00 0.00 C ATOM 1111 OE1 GLN A 65 -6.135 5.361 -13.200 1.00 0.00 O ATOM 1112 NE2 GLN A 65 -5.238 3.840 -14.483 1.00 0.00 N ATOM 0 H GLN A 65 -6.542 4.245 -8.688 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.742 1.770 -10.191 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -6.194 4.627 -10.629 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.516 4.276 -10.991 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.310 2.313 -12.429 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -6.957 2.851 -12.166 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.930 2.876 -14.609 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.131 4.513 -15.242 1.00 0.00 H new ATOM 1121 N PRO A 66 -3.617 1.435 -9.028 1.00 0.00 N ATOM 1122 CA PRO A 66 -2.279 1.225 -8.435 1.00 0.00 C ATOM 1123 C PRO A 66 -1.186 1.449 -9.491 1.00 0.00 C ATOM 1124 O PRO A 66 -1.254 0.922 -10.584 1.00 0.00 O ATOM 1125 CB PRO A 66 -2.312 -0.232 -7.994 1.00 0.00 C ATOM 1126 CG PRO A 66 -3.326 -0.898 -8.874 1.00 0.00 C ATOM 1127 CD PRO A 66 -4.265 0.166 -9.385 1.00 0.00 C ATOM 0 HA PRO A 66 -2.059 1.910 -7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -1.332 -0.697 -8.104 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.589 -0.317 -6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.836 -1.406 -9.705 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.876 -1.657 -8.317 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.409 0.084 -10.462 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.249 0.080 -8.925 1.00 0.00 H new ATOM 1135 N THR A 67 -0.179 2.222 -9.179 1.00 0.00 N ATOM 1136 CA THR A 67 0.909 2.467 -10.177 1.00 0.00 C ATOM 1137 C THR A 67 1.524 1.136 -10.622 1.00 0.00 C ATOM 1138 O THR A 67 1.404 0.140 -9.951 1.00 0.00 O ATOM 1139 CB THR A 67 1.945 3.320 -9.444 1.00 0.00 C ATOM 1140 OG1 THR A 67 2.049 2.885 -8.097 1.00 0.00 O ATOM 1141 CG2 THR A 67 1.517 4.787 -9.478 1.00 0.00 C ATOM 0 H THR A 67 -0.061 2.693 -8.282 1.00 0.00 H new ATOM 0 HA THR A 67 0.540 2.964 -11.074 1.00 0.00 H new ATOM 0 HB THR A 67 2.913 3.216 -9.934 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.902 3.187 -7.721 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.256 5.394 -8.955 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.441 5.120 -10.513 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.548 4.895 -8.990 1.00 0.00 H new ATOM 1149 N ASP A 68 2.171 1.112 -11.754 1.00 0.00 N ATOM 1150 CA ASP A 68 2.778 -0.163 -12.250 1.00 0.00 C ATOM 1151 C ASP A 68 3.677 -0.810 -11.189 1.00 0.00 C ATOM 1152 O ASP A 68 3.774 -2.017 -11.101 1.00 0.00 O ATOM 1153 CB ASP A 68 3.605 0.242 -13.471 1.00 0.00 C ATOM 1154 CG ASP A 68 2.733 0.181 -14.726 1.00 0.00 C ATOM 1155 OD1 ASP A 68 1.963 -0.758 -14.844 1.00 0.00 O ATOM 1156 OD2 ASP A 68 2.849 1.075 -15.548 1.00 0.00 O ATOM 0 H ASP A 68 2.308 1.920 -12.361 1.00 0.00 H new ATOM 0 HA ASP A 68 2.012 -0.901 -12.489 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.998 1.250 -13.338 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.462 -0.423 -13.579 1.00 0.00 H new ATOM 1161 N THR A 69 4.346 -0.023 -10.398 1.00 0.00 N ATOM 1162 CA THR A 69 5.251 -0.601 -9.361 1.00 0.00 C ATOM 1163 C THR A 69 4.476 -0.978 -8.100 1.00 0.00 C ATOM 1164 O THR A 69 4.604 -2.070 -7.582 1.00 0.00 O ATOM 1165 CB THR A 69 6.217 0.519 -9.033 1.00 0.00 C ATOM 1166 OG1 THR A 69 6.643 1.152 -10.233 1.00 0.00 O ATOM 1167 CG2 THR A 69 7.427 -0.029 -8.274 1.00 0.00 C ATOM 0 H THR A 69 4.308 0.996 -10.422 1.00 0.00 H new ATOM 0 HA THR A 69 5.741 -1.507 -9.719 1.00 0.00 H new ATOM 0 HB THR A 69 5.710 1.249 -8.402 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.266 1.877 -10.017 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.113 0.787 -8.045 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.094 -0.495 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.937 -0.770 -8.889 1.00 0.00 H new ATOM 1175 N ALA A 70 3.681 -0.078 -7.593 1.00 0.00 N ATOM 1176 CA ALA A 70 2.913 -0.383 -6.363 1.00 0.00 C ATOM 1177 C ALA A 70 1.818 -1.384 -6.691 1.00 0.00 C ATOM 1178 O ALA A 70 1.348 -2.111 -5.839 1.00 0.00 O ATOM 1179 CB ALA A 70 2.316 0.948 -5.916 1.00 0.00 C ATOM 0 H ALA A 70 3.532 0.854 -7.980 1.00 0.00 H new ATOM 0 HA ALA A 70 3.531 -0.820 -5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.732 0.798 -5.008 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.119 1.659 -5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.670 1.339 -6.702 1.00 0.00 H new ATOM 1185 N ARG A 71 1.425 -1.446 -7.933 1.00 0.00 N ATOM 1186 CA ARG A 71 0.388 -2.418 -8.316 1.00 0.00 C ATOM 1187 C ARG A 71 1.013 -3.796 -8.247 1.00 0.00 C ATOM 1188 O ARG A 71 0.391 -4.759 -7.844 1.00 0.00 O ATOM 1189 CB ARG A 71 -0.008 -2.074 -9.754 1.00 0.00 C ATOM 1190 CG ARG A 71 -1.035 -3.088 -10.264 1.00 0.00 C ATOM 1191 CD ARG A 71 -0.306 -4.276 -10.900 1.00 0.00 C ATOM 1192 NE ARG A 71 -1.238 -4.795 -11.943 1.00 0.00 N ATOM 1193 CZ ARG A 71 -1.492 -4.101 -13.028 1.00 0.00 C ATOM 1194 NH1 ARG A 71 -0.954 -2.921 -13.213 1.00 0.00 N ATOM 1195 NH2 ARG A 71 -2.293 -4.593 -13.933 1.00 0.00 N ATOM 0 H ARG A 71 1.781 -0.863 -8.691 1.00 0.00 H new ATOM 0 HA ARG A 71 -0.489 -2.393 -7.669 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.425 -1.068 -9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 71 0.873 -2.081 -10.395 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -1.663 -3.431 -9.442 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.694 -2.619 -10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.643 -3.967 -11.339 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.080 -5.042 -10.158 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.684 -5.703 -11.811 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.328 -2.530 -12.509 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -1.161 -2.394 -14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.717 -5.510 -13.795 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.495 -4.060 -14.779 1.00 0.00 H new ATOM 1209 N ARG A 72 2.266 -3.891 -8.609 1.00 0.00 N ATOM 1210 CA ARG A 72 2.940 -5.196 -8.542 1.00 0.00 C ATOM 1211 C ARG A 72 3.077 -5.578 -7.065 1.00 0.00 C ATOM 1212 O ARG A 72 3.006 -6.733 -6.696 1.00 0.00 O ATOM 1213 CB ARG A 72 4.291 -4.955 -9.246 1.00 0.00 C ATOM 1214 CG ARG A 72 5.409 -5.779 -8.606 1.00 0.00 C ATOM 1215 CD ARG A 72 6.379 -6.259 -9.689 1.00 0.00 C ATOM 1216 NE ARG A 72 7.726 -6.215 -9.050 1.00 0.00 N ATOM 1217 CZ ARG A 72 8.371 -5.080 -8.914 1.00 0.00 C ATOM 1218 NH1 ARG A 72 7.838 -3.950 -9.308 1.00 0.00 N ATOM 1219 NH2 ARG A 72 9.558 -5.076 -8.373 1.00 0.00 N ATOM 0 H ARG A 72 2.840 -3.118 -8.945 1.00 0.00 H new ATOM 0 HA ARG A 72 2.414 -6.021 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.204 -5.214 -10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.544 -3.896 -9.198 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.941 -5.178 -7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 72 4.987 -6.634 -8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.132 -7.268 -10.020 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.338 -5.616 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 72 8.152 -7.079 -8.714 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.908 -3.944 -9.728 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.353 -3.077 -9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.978 -5.951 -8.059 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.066 -4.198 -8.264 1.00 0.00 H new ATOM 1233 N LEU A 73 3.258 -4.601 -6.220 1.00 0.00 N ATOM 1234 CA LEU A 73 3.381 -4.880 -4.775 1.00 0.00 C ATOM 1235 C LEU A 73 2.007 -5.202 -4.210 1.00 0.00 C ATOM 1236 O LEU A 73 1.872 -5.985 -3.291 1.00 0.00 O ATOM 1237 CB LEU A 73 3.944 -3.599 -4.161 1.00 0.00 C ATOM 1238 CG LEU A 73 5.258 -3.241 -4.857 1.00 0.00 C ATOM 1239 CD1 LEU A 73 5.605 -1.778 -4.578 1.00 0.00 C ATOM 1240 CD2 LEU A 73 6.376 -4.139 -4.328 1.00 0.00 C ATOM 0 H LEU A 73 3.326 -3.616 -6.477 1.00 0.00 H new ATOM 0 HA LEU A 73 4.027 -5.731 -4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.228 -2.785 -4.270 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.111 -3.737 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 73 5.150 -3.389 -5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.542 -1.525 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.809 -1.137 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.712 -1.628 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.313 -3.884 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.483 -3.992 -3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.131 -5.182 -4.529 1.00 0.00 H new ATOM 1252 N LEU A 74 0.975 -4.637 -4.778 1.00 0.00 N ATOM 1253 CA LEU A 74 -0.382 -4.961 -4.289 1.00 0.00 C ATOM 1254 C LEU A 74 -0.656 -6.415 -4.649 1.00 0.00 C ATOM 1255 O LEU A 74 -1.353 -7.127 -3.955 1.00 0.00 O ATOM 1256 CB LEU A 74 -1.327 -4.015 -5.030 1.00 0.00 C ATOM 1257 CG LEU A 74 -1.365 -2.666 -4.310 1.00 0.00 C ATOM 1258 CD1 LEU A 74 -2.322 -1.727 -5.040 1.00 0.00 C ATOM 1259 CD2 LEU A 74 -1.850 -2.864 -2.872 1.00 0.00 C ATOM 0 H LEU A 74 1.018 -3.973 -5.551 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.505 -4.841 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -0.992 -3.881 -6.059 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.328 -4.444 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.364 -2.234 -4.300 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.350 -0.765 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.979 -1.582 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.321 -2.162 -5.050 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.876 -1.902 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.850 -3.297 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.169 -3.535 -2.348 1.00 0.00 H new ATOM 1271 N ARG A 75 -0.058 -6.868 -5.718 1.00 0.00 N ATOM 1272 CA ARG A 75 -0.220 -8.280 -6.127 1.00 0.00 C ATOM 1273 C ARG A 75 0.674 -9.126 -5.228 1.00 0.00 C ATOM 1274 O ARG A 75 0.377 -10.261 -4.909 1.00 0.00 O ATOM 1275 CB ARG A 75 0.264 -8.328 -7.578 1.00 0.00 C ATOM 1276 CG ARG A 75 -0.523 -9.388 -8.348 1.00 0.00 C ATOM 1277 CD ARG A 75 0.005 -10.777 -7.986 1.00 0.00 C ATOM 1278 NE ARG A 75 1.448 -10.749 -8.361 1.00 0.00 N ATOM 1279 CZ ARG A 75 2.265 -11.696 -7.964 1.00 0.00 C ATOM 1280 NH1 ARG A 75 1.835 -12.694 -7.234 1.00 0.00 N ATOM 1281 NH2 ARG A 75 3.524 -11.644 -8.305 1.00 0.00 N ATOM 0 H ARG A 75 0.540 -6.309 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.241 -8.652 -6.044 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.135 -7.353 -8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.329 -8.558 -7.609 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.583 -9.316 -8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.428 -9.219 -9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.123 -10.984 -6.923 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.529 -11.557 -8.529 1.00 0.00 H new ATOM 0 HE ARG A 75 1.805 -9.984 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.852 -12.743 -6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.483 -13.422 -6.933 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.866 -10.871 -8.876 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.166 -12.376 -8.000 1.00 0.00 H new ATOM 1295 N GLN A 76 1.768 -8.554 -4.803 1.00 0.00 N ATOM 1296 CA GLN A 76 2.696 -9.271 -3.908 1.00 0.00 C ATOM 1297 C GLN A 76 2.137 -9.270 -2.497 1.00 0.00 C ATOM 1298 O GLN A 76 2.368 -10.168 -1.713 1.00 0.00 O ATOM 1299 CB GLN A 76 3.987 -8.470 -4.000 1.00 0.00 C ATOM 1300 CG GLN A 76 5.176 -9.367 -3.669 1.00 0.00 C ATOM 1301 CD GLN A 76 5.570 -10.165 -4.912 1.00 0.00 C ATOM 1302 OE1 GLN A 76 5.718 -11.370 -4.855 1.00 0.00 O ATOM 1303 NE2 GLN A 76 5.746 -9.539 -6.044 1.00 0.00 N ATOM 0 H GLN A 76 2.055 -7.606 -5.047 1.00 0.00 H new ATOM 0 HA GLN A 76 2.850 -10.316 -4.179 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.099 -8.057 -5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.953 -7.627 -3.310 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.018 -8.764 -3.329 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.919 -10.044 -2.854 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.622 -8.528 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.008 -10.061 -6.880 1.00 0.00 H new ATOM 1312 N ALA A 77 1.382 -8.269 -2.187 1.00 0.00 N ATOM 1313 CA ALA A 77 0.764 -8.184 -0.843 1.00 0.00 C ATOM 1314 C ALA A 77 -0.309 -9.269 -0.683 1.00 0.00 C ATOM 1315 O ALA A 77 -0.838 -9.476 0.391 1.00 0.00 O ATOM 1316 CB ALA A 77 0.120 -6.804 -0.802 1.00 0.00 C ATOM 0 H ALA A 77 1.162 -7.494 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 77 1.490 -8.330 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.363 -6.657 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.885 -6.041 -0.945 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.623 -6.726 -1.595 1.00 0.00 H new ATOM 1322 N GLY A 78 -0.644 -9.957 -1.744 1.00 0.00 N ATOM 1323 CA GLY A 78 -1.689 -11.015 -1.648 1.00 0.00 C ATOM 1324 C GLY A 78 -3.065 -10.400 -1.927 1.00 0.00 C ATOM 1325 O GLY A 78 -4.066 -10.833 -1.391 1.00 0.00 O ATOM 0 H GLY A 78 -0.238 -9.831 -2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.483 -11.811 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.675 -11.466 -0.656 1.00 0.00 H new ATOM 1329 N VAL A 79 -3.123 -9.391 -2.757 1.00 0.00 N ATOM 1330 CA VAL A 79 -4.431 -8.752 -3.063 1.00 0.00 C ATOM 1331 C VAL A 79 -5.070 -9.394 -4.298 1.00 0.00 C ATOM 1332 O VAL A 79 -6.115 -10.010 -4.219 1.00 0.00 O ATOM 1333 CB VAL A 79 -4.117 -7.286 -3.330 1.00 0.00 C ATOM 1334 CG1 VAL A 79 -5.417 -6.521 -3.582 1.00 0.00 C ATOM 1335 CG2 VAL A 79 -3.396 -6.682 -2.122 1.00 0.00 C ATOM 0 H VAL A 79 -2.319 -8.984 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.138 -8.873 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.475 -7.211 -4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.191 -5.472 -3.773 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.927 -6.945 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.061 -6.600 -2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.174 -5.633 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.034 -6.759 -1.242 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.466 -7.223 -1.945 1.00 0.00 H new ATOM 1345 N PHE A 80 -4.454 -9.251 -5.442 1.00 0.00 N ATOM 1346 CA PHE A 80 -5.033 -9.849 -6.679 1.00 0.00 C ATOM 1347 C PHE A 80 -3.955 -10.582 -7.481 1.00 0.00 C ATOM 1348 O PHE A 80 -2.838 -10.743 -7.034 1.00 0.00 O ATOM 1349 CB PHE A 80 -5.584 -8.664 -7.480 1.00 0.00 C ATOM 1350 CG PHE A 80 -4.507 -7.619 -7.674 1.00 0.00 C ATOM 1351 CD1 PHE A 80 -3.483 -7.825 -8.610 1.00 0.00 C ATOM 1352 CD2 PHE A 80 -4.538 -6.437 -6.923 1.00 0.00 C ATOM 1353 CE1 PHE A 80 -2.495 -6.849 -8.791 1.00 0.00 C ATOM 1354 CE2 PHE A 80 -3.550 -5.462 -7.108 1.00 0.00 C ATOM 1355 CZ PHE A 80 -2.529 -5.667 -8.041 1.00 0.00 C ATOM 0 H PHE A 80 -3.577 -8.747 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.806 -10.582 -6.450 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.946 -9.008 -8.449 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -6.435 -8.227 -6.958 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -3.456 -8.735 -9.191 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.325 -6.277 -6.201 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.705 -7.008 -9.510 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.577 -4.551 -6.529 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.767 -4.915 -8.183 1.00 0.00 H new ATOM 1365 N ARG A 81 -4.287 -11.025 -8.663 1.00 0.00 N ATOM 1366 CA ARG A 81 -3.287 -11.748 -9.502 1.00 0.00 C ATOM 1367 C ARG A 81 -3.022 -10.962 -10.790 1.00 0.00 C ATOM 1368 O ARG A 81 -3.723 -10.021 -11.106 1.00 0.00 O ATOM 1369 CB ARG A 81 -3.933 -13.096 -9.820 1.00 0.00 C ATOM 1370 CG ARG A 81 -4.161 -13.874 -8.522 1.00 0.00 C ATOM 1371 CD ARG A 81 -5.663 -13.966 -8.240 1.00 0.00 C ATOM 1372 NE ARG A 81 -5.828 -15.216 -7.442 1.00 0.00 N ATOM 1373 CZ ARG A 81 -5.776 -16.394 -8.019 1.00 0.00 C ATOM 1374 NH1 ARG A 81 -5.584 -16.505 -9.310 1.00 0.00 N ATOM 1375 NH2 ARG A 81 -5.918 -17.470 -7.297 1.00 0.00 N ATOM 0 H ARG A 81 -5.209 -10.918 -9.085 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.329 -11.868 -8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.881 -12.944 -10.336 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.293 -13.668 -10.491 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.734 -14.873 -8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.654 -13.378 -7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.015 -13.095 -7.687 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.237 -14.010 -9.166 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.983 -15.154 -6.436 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.472 -15.668 -9.883 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.546 -17.428 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.068 -17.393 -6.291 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.879 -18.389 -7.738 1.00 0.00 H new ATOM 1389 N GLN A 82 -2.020 -11.339 -11.537 1.00 0.00 N ATOM 1390 CA GLN A 82 -1.724 -10.605 -12.802 1.00 0.00 C ATOM 1391 C GLN A 82 -2.808 -10.887 -13.846 1.00 0.00 C ATOM 1392 O GLN A 82 -2.884 -11.965 -14.401 1.00 0.00 O ATOM 1393 CB GLN A 82 -0.373 -11.141 -13.275 1.00 0.00 C ATOM 1394 CG GLN A 82 0.224 -10.174 -14.300 1.00 0.00 C ATOM 1395 CD GLN A 82 0.926 -10.964 -15.406 1.00 0.00 C ATOM 1396 OE1 GLN A 82 1.303 -12.101 -15.211 1.00 0.00 O ATOM 1397 NE2 GLN A 82 1.119 -10.402 -16.569 1.00 0.00 N ATOM 0 H GLN A 82 -1.396 -12.119 -11.328 1.00 0.00 H new ATOM 0 HA GLN A 82 -1.700 -9.526 -12.651 1.00 0.00 H new ATOM 0 HB2 GLN A 82 0.303 -11.254 -12.428 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -0.496 -12.129 -13.719 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.562 -9.551 -14.727 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.932 -9.504 -13.813 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.802 -9.446 -16.733 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.587 -10.919 -17.314 1.00 0.00 H new ATOM 1406 N GLU A 83 -3.646 -9.924 -14.118 1.00 0.00 N ATOM 1407 CA GLU A 83 -4.722 -10.137 -15.127 1.00 0.00 C ATOM 1408 C GLU A 83 -4.735 -8.984 -16.135 1.00 0.00 C ATOM 1409 O GLU A 83 -4.822 -7.829 -15.770 1.00 0.00 O ATOM 1410 CB GLU A 83 -6.021 -10.160 -14.321 1.00 0.00 C ATOM 1411 CG GLU A 83 -6.392 -11.607 -13.991 1.00 0.00 C ATOM 1412 CD GLU A 83 -7.452 -11.623 -12.887 1.00 0.00 C ATOM 1413 OE1 GLU A 83 -8.160 -10.639 -12.760 1.00 0.00 O ATOM 1414 OE2 GLU A 83 -7.535 -12.619 -12.187 1.00 0.00 O ATOM 0 H GLU A 83 -3.632 -9.000 -13.686 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.580 -11.056 -15.696 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.902 -9.586 -13.402 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.823 -9.689 -14.890 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.771 -12.108 -14.881 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -5.507 -12.156 -13.668 1.00 0.00 H new ATOM 1421 N ALA A 84 -4.646 -9.289 -17.400 1.00 0.00 N ATOM 1422 CA ALA A 84 -4.651 -8.210 -18.429 1.00 0.00 C ATOM 1423 C ALA A 84 -6.011 -7.508 -18.460 1.00 0.00 C ATOM 1424 O ALA A 84 -6.964 -8.003 -19.029 1.00 0.00 O ATOM 1425 CB ALA A 84 -4.391 -8.926 -19.755 1.00 0.00 C ATOM 0 H ALA A 84 -4.570 -10.238 -17.766 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.904 -7.444 -18.223 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -4.380 -8.198 -20.566 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.428 -9.435 -19.711 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.180 -9.657 -19.935 1.00 0.00 H new ATOM 1431 N ARG A 85 -6.108 -6.355 -17.856 1.00 0.00 N ATOM 1432 CA ARG A 85 -7.406 -5.620 -17.856 1.00 0.00 C ATOM 1433 C ARG A 85 -7.458 -4.655 -19.044 1.00 0.00 C ATOM 1434 O ARG A 85 -7.425 -3.452 -18.882 1.00 0.00 O ATOM 1435 CB ARG A 85 -7.427 -4.850 -16.535 1.00 0.00 C ATOM 1436 CG ARG A 85 -8.050 -5.723 -15.445 1.00 0.00 C ATOM 1437 CD ARG A 85 -8.033 -4.971 -14.112 1.00 0.00 C ATOM 1438 NE ARG A 85 -9.112 -3.946 -14.232 1.00 0.00 N ATOM 1439 CZ ARG A 85 -10.377 -4.293 -14.178 1.00 0.00 C ATOM 1440 NH1 ARG A 85 -10.728 -5.546 -14.033 1.00 0.00 N ATOM 1441 NH2 ARG A 85 -11.300 -3.373 -14.274 1.00 0.00 N ATOM 0 H ARG A 85 -5.346 -5.890 -17.363 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.263 -6.288 -17.948 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.414 -4.565 -16.252 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.998 -3.928 -16.648 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.074 -5.983 -15.714 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.497 -6.658 -15.354 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.220 -5.645 -13.276 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -7.064 -4.505 -13.934 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.863 -2.965 -14.357 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.014 -6.271 -13.960 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -11.716 -5.798 -13.993 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -11.035 -2.395 -14.390 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.285 -3.633 -14.233 1.00 0.00 H new ATOM 1455 N GLU A 86 -7.536 -5.177 -20.239 1.00 0.00 N ATOM 1456 CA GLU A 86 -7.584 -4.294 -21.440 1.00 0.00 C ATOM 1457 C GLU A 86 -8.687 -3.242 -21.287 1.00 0.00 C ATOM 1458 O GLU A 86 -9.826 -3.559 -21.005 1.00 0.00 O ATOM 1459 CB GLU A 86 -7.897 -5.229 -22.608 1.00 0.00 C ATOM 1460 CG GLU A 86 -6.809 -6.299 -22.714 1.00 0.00 C ATOM 1461 CD GLU A 86 -6.447 -6.514 -24.185 1.00 0.00 C ATOM 1462 OE1 GLU A 86 -7.330 -6.876 -24.945 1.00 0.00 O ATOM 1463 OE2 GLU A 86 -5.294 -6.310 -24.527 1.00 0.00 O ATOM 0 H GLU A 86 -7.569 -6.177 -20.435 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.649 -3.753 -21.588 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.870 -5.698 -22.461 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.954 -4.661 -23.537 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -5.927 -5.993 -22.152 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.158 -7.233 -22.274 1.00 0.00 H new ATOM 1470 N GLY A 87 -8.357 -1.995 -21.477 1.00 0.00 N ATOM 1471 CA GLY A 87 -9.385 -0.923 -21.349 1.00 0.00 C ATOM 1472 C GLY A 87 -9.924 -0.894 -19.919 1.00 0.00 C ATOM 1473 O GLY A 87 -9.591 -1.729 -19.101 1.00 0.00 O ATOM 0 H GLY A 87 -7.420 -1.671 -21.716 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -8.950 0.043 -21.604 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.199 -1.101 -22.051 1.00 0.00 H new ATOM 1477 N ALA A 88 -10.754 0.065 -19.609 1.00 0.00 N ATOM 1478 CA ALA A 88 -11.316 0.153 -18.230 1.00 0.00 C ATOM 1479 C ALA A 88 -12.395 -0.915 -18.028 1.00 0.00 C ATOM 1480 O ALA A 88 -13.109 -0.828 -17.044 1.00 0.00 O ATOM 1481 CB ALA A 88 -11.923 1.553 -18.138 1.00 0.00 C ATOM 1482 OXT ALA A 88 -12.488 -1.801 -18.863 1.00 0.00 O ATOM 0 H ALA A 88 -11.068 0.792 -20.252 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.558 -0.014 -17.464 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -12.359 1.696 -17.149 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -11.145 2.298 -18.303 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -12.699 1.664 -18.896 1.00 0.00 H new TER 1488 ALA A 88