USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 534 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -151:sc=0.000793 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.151 USER MOD Single : A 6 SER OG : rot 71:sc= 1.22 USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= 0.207 (180deg=0.186) USER MOD Single : A 11 TYR OH : rot 113:sc= 0.0253 USER MOD Single : A 13 THR OG1 : rot 159:sc= 1.05 USER MOD Single : A 15 GLN : amide:sc= -0.0308 K(o=-0.031,f=-1.2!) USER MOD Single : A 17 TYR OH : rot -166:sc= 0.283 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 36:sc= 0.033 USER MOD Single : A 20 GLN : amide:sc= -0.282 K(o=-0.28,f=-1.2) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -139:sc= 0.123 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.394 K(o=-0.39,f=-3.3!) USER MOD Single : A 45 TYR OH : rot -39:sc= 0.0965 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 16:sc= 0.361 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.808 14.768 -11.904 1.00 0.00 N ATOM 2 CA GLY A 1 -9.796 13.454 -11.288 1.00 0.00 C ATOM 3 C GLY A 1 -9.057 13.441 -9.966 1.00 0.00 C ATOM 4 O GLY A 1 -9.218 14.347 -9.148 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.665 14.872 -12.483 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.800 15.499 -11.164 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.968 14.876 -12.507 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.822 13.120 -11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.330 12.741 -11.968 1.00 0.00 H new ATOM 8 N SER A 2 -8.245 12.411 -9.754 1.00 0.00 N ATOM 9 CA SER A 2 -7.483 12.280 -8.517 1.00 0.00 C ATOM 10 C SER A 2 -6.613 13.511 -8.283 1.00 0.00 C ATOM 11 O SER A 2 -6.750 14.198 -7.271 1.00 0.00 O ATOM 12 CB SER A 2 -6.609 11.025 -8.562 1.00 0.00 C ATOM 13 OG SER A 2 -7.400 9.851 -8.519 1.00 0.00 O ATOM 0 H SER A 2 -8.097 11.655 -10.422 1.00 0.00 H new ATOM 0 HA SER A 2 -8.189 12.193 -7.691 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.008 11.029 -9.471 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.915 11.031 -7.721 1.00 0.00 H new ATOM 0 HG SER A 2 -6.818 9.063 -8.551 1.00 0.00 H new ATOM 19 N SER A 3 -5.717 13.783 -9.226 1.00 0.00 N ATOM 20 CA SER A 3 -4.820 14.929 -9.123 1.00 0.00 C ATOM 21 C SER A 3 -4.251 15.046 -7.713 1.00 0.00 C ATOM 22 O SER A 3 -4.174 16.138 -7.151 1.00 0.00 O ATOM 23 CB SER A 3 -5.559 16.216 -9.495 1.00 0.00 C ATOM 24 OG SER A 3 -5.721 16.321 -10.900 1.00 0.00 O ATOM 0 H SER A 3 -5.592 13.225 -10.071 1.00 0.00 H new ATOM 0 HA SER A 3 -3.995 14.778 -9.819 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.535 16.232 -9.011 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.005 17.078 -9.124 1.00 0.00 H new ATOM 0 HG SER A 3 -6.197 17.150 -11.113 1.00 0.00 H new ATOM 30 N GLY A 4 -3.853 13.912 -7.144 1.00 0.00 N ATOM 31 CA GLY A 4 -3.295 13.909 -5.804 1.00 0.00 C ATOM 32 C GLY A 4 -1.893 13.334 -5.761 1.00 0.00 C ATOM 33 O GLY A 4 -0.922 14.064 -5.565 1.00 0.00 O ATOM 0 H GLY A 4 -3.907 12.995 -7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.278 14.928 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.942 13.330 -5.146 1.00 0.00 H new ATOM 37 N SER A 5 -1.787 12.022 -5.945 1.00 0.00 N ATOM 38 CA SER A 5 -0.493 11.349 -5.920 1.00 0.00 C ATOM 39 C SER A 5 0.388 11.904 -4.805 1.00 0.00 C ATOM 40 O SER A 5 1.588 12.105 -4.988 1.00 0.00 O ATOM 41 CB SER A 5 0.213 11.506 -7.268 1.00 0.00 C ATOM 42 OG SER A 5 0.497 12.866 -7.541 1.00 0.00 O ATOM 0 H SER A 5 -2.581 11.404 -6.113 1.00 0.00 H new ATOM 0 HA SER A 5 -0.666 10.290 -5.729 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.139 10.932 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.414 11.096 -8.060 1.00 0.00 H new ATOM 0 HG SER A 5 0.949 12.938 -8.407 1.00 0.00 H new ATOM 48 N SER A 6 -0.219 12.152 -3.648 1.00 0.00 N ATOM 49 CA SER A 6 0.508 12.689 -2.504 1.00 0.00 C ATOM 50 C SER A 6 0.298 11.816 -1.270 1.00 0.00 C ATOM 51 O SER A 6 -0.790 11.290 -1.045 1.00 0.00 O ATOM 52 CB SER A 6 0.056 14.121 -2.212 1.00 0.00 C ATOM 53 OG SER A 6 0.283 14.965 -3.327 1.00 0.00 O ATOM 0 H SER A 6 -1.212 11.990 -3.479 1.00 0.00 H new ATOM 0 HA SER A 6 1.570 12.694 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.004 14.126 -1.958 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.594 14.506 -1.345 1.00 0.00 H new ATOM 0 HG SER A 6 -0.350 14.741 -4.041 1.00 0.00 H new ATOM 59 N GLY A 7 1.351 11.667 -0.472 1.00 0.00 N ATOM 60 CA GLY A 7 1.265 10.859 0.729 1.00 0.00 C ATOM 61 C GLY A 7 2.488 10.997 1.613 1.00 0.00 C ATOM 62 O GLY A 7 3.294 11.908 1.427 1.00 0.00 O ATOM 0 H GLY A 7 2.263 12.093 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.379 11.148 1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.139 9.813 0.450 1.00 0.00 H new ATOM 66 N GLU A 8 2.627 10.092 2.576 1.00 0.00 N ATOM 67 CA GLU A 8 3.761 10.120 3.492 1.00 0.00 C ATOM 68 C GLU A 8 4.832 9.121 3.064 1.00 0.00 C ATOM 69 O GLU A 8 5.972 9.496 2.793 1.00 0.00 O ATOM 70 CB GLU A 8 3.300 9.810 4.919 1.00 0.00 C ATOM 71 CG GLU A 8 2.441 10.904 5.531 1.00 0.00 C ATOM 72 CD GLU A 8 3.261 12.077 6.034 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.374 11.845 6.550 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.789 13.227 5.912 1.00 0.00 O ATOM 0 H GLU A 8 1.969 9.331 2.742 1.00 0.00 H new ATOM 0 HA GLU A 8 4.192 11.121 3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.737 8.877 4.916 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.176 9.652 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.726 11.257 4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.864 10.488 6.357 1.00 0.00 H new ATOM 81 N GLU A 9 4.455 7.847 3.007 1.00 0.00 N ATOM 82 CA GLU A 9 5.384 6.793 2.614 1.00 0.00 C ATOM 83 C GLU A 9 4.792 5.937 1.497 1.00 0.00 C ATOM 84 O GLU A 9 3.854 5.173 1.716 1.00 0.00 O ATOM 85 CB GLU A 9 5.732 5.914 3.816 1.00 0.00 C ATOM 86 CG GLU A 9 6.672 6.581 4.806 1.00 0.00 C ATOM 87 CD GLU A 9 7.314 5.592 5.759 1.00 0.00 C ATOM 88 OE1 GLU A 9 6.739 4.502 5.956 1.00 0.00 O ATOM 89 OE2 GLU A 9 8.391 5.908 6.307 1.00 0.00 O ATOM 0 H GLU A 9 3.514 7.520 3.228 1.00 0.00 H new ATOM 0 HA GLU A 9 6.294 7.265 2.244 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.812 5.637 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 9 6.189 4.990 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.452 7.112 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.121 7.326 5.379 1.00 0.00 H new ATOM 96 N LYS A 10 5.351 6.071 0.299 1.00 0.00 N ATOM 97 CA LYS A 10 4.882 5.310 -0.853 1.00 0.00 C ATOM 98 C LYS A 10 5.575 3.953 -0.928 1.00 0.00 C ATOM 99 O LYS A 10 6.798 3.876 -1.044 1.00 0.00 O ATOM 100 CB LYS A 10 5.131 6.094 -2.144 1.00 0.00 C ATOM 101 CG LYS A 10 4.000 7.040 -2.509 1.00 0.00 C ATOM 102 CD LYS A 10 4.003 7.366 -3.992 1.00 0.00 C ATOM 103 CE LYS A 10 3.023 8.483 -4.320 1.00 0.00 C ATOM 104 NZ LYS A 10 3.553 9.818 -3.931 1.00 0.00 N ATOM 0 H LYS A 10 6.129 6.700 0.101 1.00 0.00 H new ATOM 0 HA LYS A 10 3.811 5.145 -0.736 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.053 6.666 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.284 5.391 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.046 6.590 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.094 7.961 -1.933 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.007 7.660 -4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.744 6.474 -4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.808 8.475 -5.389 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.080 8.302 -3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.912 10.560 -4.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.623 9.875 -2.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.496 9.953 -4.349 1.00 0.00 H new ATOM 118 N TYR A 11 4.786 2.886 -0.863 1.00 0.00 N ATOM 119 CA TYR A 11 5.324 1.533 -0.923 1.00 0.00 C ATOM 120 C TYR A 11 4.974 0.865 -2.249 1.00 0.00 C ATOM 121 O TYR A 11 4.222 1.415 -3.055 1.00 0.00 O ATOM 122 CB TYR A 11 4.786 0.696 0.239 1.00 0.00 C ATOM 123 CG TYR A 11 5.629 0.786 1.491 1.00 0.00 C ATOM 124 CD1 TYR A 11 5.998 2.018 2.018 1.00 0.00 C ATOM 125 CD2 TYR A 11 6.060 -0.361 2.146 1.00 0.00 C ATOM 126 CE1 TYR A 11 6.769 2.104 3.160 1.00 0.00 C ATOM 127 CE2 TYR A 11 6.829 -0.284 3.290 1.00 0.00 C ATOM 128 CZ TYR A 11 7.182 0.951 3.793 1.00 0.00 C ATOM 129 OH TYR A 11 7.950 1.032 4.933 1.00 0.00 O ATOM 0 H TYR A 11 3.771 2.933 -0.769 1.00 0.00 H new ATOM 0 HA TYR A 11 6.409 1.598 -0.845 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.771 1.020 0.470 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.724 -0.347 -0.073 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.676 2.924 1.526 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.789 -1.330 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.047 3.070 3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.152 -1.186 3.788 1.00 0.00 H new ATOM 0 HH TYR A 11 7.436 0.699 5.698 1.00 0.00 H new ATOM 139 N VAL A 12 5.525 -0.325 -2.469 1.00 0.00 N ATOM 140 CA VAL A 12 5.270 -1.070 -3.696 1.00 0.00 C ATOM 141 C VAL A 12 4.907 -2.519 -3.393 1.00 0.00 C ATOM 142 O VAL A 12 5.462 -3.134 -2.482 1.00 0.00 O ATOM 143 CB VAL A 12 6.493 -1.044 -4.632 1.00 0.00 C ATOM 144 CG1 VAL A 12 7.652 -1.815 -4.018 1.00 0.00 C ATOM 145 CG2 VAL A 12 6.130 -1.608 -5.997 1.00 0.00 C ATOM 0 H VAL A 12 6.151 -0.793 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 12 4.430 -0.584 -4.193 1.00 0.00 H new ATOM 0 HB VAL A 12 6.807 -0.008 -4.764 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.507 -1.786 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.926 -1.362 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.354 -2.851 -3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.005 -1.582 -6.646 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.790 -2.638 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.334 -1.009 -6.438 1.00 0.00 H new ATOM 155 N THR A 13 3.969 -3.062 -4.164 1.00 0.00 N ATOM 156 CA THR A 13 3.530 -4.439 -3.979 1.00 0.00 C ATOM 157 C THR A 13 4.410 -5.407 -4.761 1.00 0.00 C ATOM 158 O THR A 13 4.778 -5.141 -5.906 1.00 0.00 O ATOM 159 CB THR A 13 2.065 -4.626 -4.419 1.00 0.00 C ATOM 160 OG1 THR A 13 1.980 -4.643 -5.848 1.00 0.00 O ATOM 161 CG2 THR A 13 1.189 -3.511 -3.867 1.00 0.00 C ATOM 0 H THR A 13 3.499 -2.568 -4.923 1.00 0.00 H new ATOM 0 HA THR A 13 3.613 -4.656 -2.914 1.00 0.00 H new ATOM 0 HB THR A 13 1.709 -5.577 -4.024 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.152 -5.091 -6.121 1.00 0.00 H new ATOM 0 HG21 THR A 13 0.159 -3.663 -4.190 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.232 -3.519 -2.778 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.547 -2.550 -4.237 1.00 0.00 H new ATOM 169 N VAL A 14 4.745 -6.532 -4.138 1.00 0.00 N ATOM 170 CA VAL A 14 5.581 -7.541 -4.776 1.00 0.00 C ATOM 171 C VAL A 14 4.766 -8.775 -5.147 1.00 0.00 C ATOM 172 O VAL A 14 5.262 -9.679 -5.820 1.00 0.00 O ATOM 173 CB VAL A 14 6.746 -7.965 -3.863 1.00 0.00 C ATOM 174 CG1 VAL A 14 7.766 -6.843 -3.744 1.00 0.00 C ATOM 175 CG2 VAL A 14 6.228 -8.372 -2.492 1.00 0.00 C ATOM 0 H VAL A 14 4.450 -6.768 -3.191 1.00 0.00 H new ATOM 0 HA VAL A 14 5.985 -7.090 -5.682 1.00 0.00 H new ATOM 0 HB VAL A 14 7.240 -8.828 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.582 -7.161 -3.095 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.160 -6.603 -4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.288 -5.960 -3.320 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.065 -8.669 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.709 -7.530 -2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.538 -9.210 -2.597 1.00 0.00 H new ATOM 185 N GLN A 15 3.513 -8.805 -4.705 1.00 0.00 N ATOM 186 CA GLN A 15 2.629 -9.930 -4.990 1.00 0.00 C ATOM 187 C GLN A 15 1.171 -9.484 -5.009 1.00 0.00 C ATOM 188 O GLN A 15 0.759 -8.592 -4.268 1.00 0.00 O ATOM 189 CB GLN A 15 2.825 -11.036 -3.953 1.00 0.00 C ATOM 190 CG GLN A 15 4.261 -11.521 -3.843 1.00 0.00 C ATOM 191 CD GLN A 15 4.389 -12.787 -3.020 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.448 -13.576 -2.922 1.00 0.00 O ATOM 193 NE2 GLN A 15 5.558 -12.990 -2.422 1.00 0.00 N ATOM 0 H GLN A 15 3.087 -8.064 -4.149 1.00 0.00 H new ATOM 0 HA GLN A 15 2.883 -10.319 -5.976 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.498 -10.671 -2.979 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.184 -11.880 -4.209 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.657 -11.701 -4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.872 -10.737 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.311 -12.310 -2.530 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.703 -13.826 -1.855 1.00 0.00 H new ATOM 202 N PRO A 16 0.367 -10.121 -5.875 1.00 0.00 N ATOM 203 CA PRO A 16 -1.058 -9.807 -6.009 1.00 0.00 C ATOM 204 C PRO A 16 -1.865 -10.242 -4.791 1.00 0.00 C ATOM 205 O PRO A 16 -1.616 -11.301 -4.215 1.00 0.00 O ATOM 206 CB PRO A 16 -1.481 -10.606 -7.245 1.00 0.00 C ATOM 207 CG PRO A 16 -0.511 -11.733 -7.318 1.00 0.00 C ATOM 208 CD PRO A 16 0.790 -11.195 -6.788 1.00 0.00 C ATOM 0 HA PRO A 16 -1.233 -8.735 -6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -2.504 -10.970 -7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.443 -9.992 -8.145 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.853 -12.581 -6.725 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.399 -12.085 -8.343 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.361 -11.964 -6.267 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.424 -10.815 -7.589 1.00 0.00 H new ATOM 216 N TYR A 17 -2.833 -9.419 -4.404 1.00 0.00 N ATOM 217 CA TYR A 17 -3.675 -9.718 -3.251 1.00 0.00 C ATOM 218 C TYR A 17 -5.152 -9.581 -3.607 1.00 0.00 C ATOM 219 O TYR A 17 -5.576 -8.573 -4.176 1.00 0.00 O ATOM 220 CB TYR A 17 -3.331 -8.788 -2.086 1.00 0.00 C ATOM 221 CG TYR A 17 -4.010 -9.166 -0.790 1.00 0.00 C ATOM 222 CD1 TYR A 17 -3.527 -10.208 -0.007 1.00 0.00 C ATOM 223 CD2 TYR A 17 -5.135 -8.481 -0.346 1.00 0.00 C ATOM 224 CE1 TYR A 17 -4.145 -10.558 1.178 1.00 0.00 C ATOM 225 CE2 TYR A 17 -5.759 -8.823 0.838 1.00 0.00 C ATOM 226 CZ TYR A 17 -5.260 -9.861 1.597 1.00 0.00 C ATOM 227 OH TYR A 17 -5.878 -10.205 2.778 1.00 0.00 O ATOM 0 H TYR A 17 -3.054 -8.540 -4.871 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.485 -10.749 -2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.251 -8.792 -1.936 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -3.613 -7.769 -2.350 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.653 -10.754 -0.331 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.528 -7.667 -0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -3.758 -11.372 1.773 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -6.633 -8.281 1.168 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.763 -9.785 2.819 1.00 0.00 H new ATOM 237 N THR A 18 -5.934 -10.601 -3.267 1.00 0.00 N ATOM 238 CA THR A 18 -7.363 -10.597 -3.550 1.00 0.00 C ATOM 239 C THR A 18 -8.169 -10.262 -2.300 1.00 0.00 C ATOM 240 O THR A 18 -8.152 -11.007 -1.321 1.00 0.00 O ATOM 241 CB THR A 18 -7.832 -11.957 -4.101 1.00 0.00 C ATOM 242 OG1 THR A 18 -7.103 -12.281 -5.289 1.00 0.00 O ATOM 243 CG2 THR A 18 -9.322 -11.933 -4.404 1.00 0.00 C ATOM 0 H THR A 18 -5.601 -11.441 -2.795 1.00 0.00 H new ATOM 0 HA THR A 18 -7.533 -9.830 -4.306 1.00 0.00 H new ATOM 0 HB THR A 18 -7.645 -12.716 -3.342 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.406 -13.148 -5.632 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.630 -12.904 -4.792 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.876 -11.715 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.530 -11.163 -5.147 1.00 0.00 H new ATOM 251 N SER A 19 -8.876 -9.138 -2.341 1.00 0.00 N ATOM 252 CA SER A 19 -9.688 -8.702 -1.210 1.00 0.00 C ATOM 253 C SER A 19 -10.993 -9.491 -1.143 1.00 0.00 C ATOM 254 O SER A 19 -11.699 -9.629 -2.141 1.00 0.00 O ATOM 255 CB SER A 19 -9.987 -7.206 -1.315 1.00 0.00 C ATOM 256 OG SER A 19 -10.455 -6.870 -2.610 1.00 0.00 O ATOM 0 H SER A 19 -8.903 -8.512 -3.146 1.00 0.00 H new ATOM 0 HA SER A 19 -9.124 -8.888 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.734 -6.928 -0.571 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.086 -6.635 -1.091 1.00 0.00 H new ATOM 0 HG SER A 19 -11.015 -7.597 -2.954 1.00 0.00 H new ATOM 262 N GLN A 20 -11.304 -10.007 0.042 1.00 0.00 N ATOM 263 CA GLN A 20 -12.523 -10.781 0.241 1.00 0.00 C ATOM 264 C GLN A 20 -13.714 -9.866 0.505 1.00 0.00 C ATOM 265 O GLN A 20 -14.830 -10.141 0.065 1.00 0.00 O ATOM 266 CB GLN A 20 -12.348 -11.759 1.404 1.00 0.00 C ATOM 267 CG GLN A 20 -11.379 -12.891 1.107 1.00 0.00 C ATOM 268 CD GLN A 20 -9.934 -12.503 1.355 1.00 0.00 C ATOM 269 OE1 GLN A 20 -9.632 -11.745 2.277 1.00 0.00 O ATOM 270 NE2 GLN A 20 -9.032 -13.021 0.530 1.00 0.00 N ATOM 0 H GLN A 20 -10.729 -9.903 0.878 1.00 0.00 H new ATOM 0 HA GLN A 20 -12.717 -11.344 -0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.997 -11.211 2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -13.319 -12.182 1.662 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.631 -13.752 1.726 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.495 -13.200 0.068 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -9.327 -13.645 -0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.044 -12.795 0.647 1.00 0.00 H new ATOM 279 N SER A 21 -13.468 -8.777 1.225 1.00 0.00 N ATOM 280 CA SER A 21 -14.521 -7.822 1.551 1.00 0.00 C ATOM 281 C SER A 21 -14.038 -6.389 1.345 1.00 0.00 C ATOM 282 O SER A 21 -12.840 -6.137 1.223 1.00 0.00 O ATOM 283 CB SER A 21 -14.981 -8.014 2.998 1.00 0.00 C ATOM 284 OG SER A 21 -15.516 -9.310 3.196 1.00 0.00 O ATOM 0 H SER A 21 -12.549 -8.534 1.594 1.00 0.00 H new ATOM 0 HA SER A 21 -15.362 -8.003 0.882 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.140 -7.857 3.674 1.00 0.00 H new ATOM 0 HB3 SER A 21 -15.733 -7.265 3.246 1.00 0.00 H new ATOM 0 HG SER A 21 -15.801 -9.407 4.129 1.00 0.00 H new ATOM 290 N LYS A 22 -14.981 -5.454 1.306 1.00 0.00 N ATOM 291 CA LYS A 22 -14.656 -4.046 1.116 1.00 0.00 C ATOM 292 C LYS A 22 -13.554 -3.607 2.074 1.00 0.00 C ATOM 293 O LYS A 22 -12.567 -2.997 1.663 1.00 0.00 O ATOM 294 CB LYS A 22 -15.901 -3.181 1.323 1.00 0.00 C ATOM 295 CG LYS A 22 -17.016 -3.471 0.334 1.00 0.00 C ATOM 296 CD LYS A 22 -18.112 -2.421 0.404 1.00 0.00 C ATOM 297 CE LYS A 22 -17.722 -1.156 -0.348 1.00 0.00 C ATOM 298 NZ LYS A 22 -18.867 -0.214 -0.477 1.00 0.00 N ATOM 0 H LYS A 22 -15.978 -5.647 1.404 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.297 -3.917 0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.276 -3.335 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -15.620 -2.131 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.608 -3.505 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.439 -4.454 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.033 -2.826 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.318 -2.177 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.902 -0.662 0.173 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.356 -1.421 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.562 0.635 -0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -19.640 -0.677 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -19.200 0.059 0.470 1.00 0.00 H new ATOM 312 N ASP A 23 -13.727 -3.925 3.353 1.00 0.00 N ATOM 313 CA ASP A 23 -12.745 -3.566 4.369 1.00 0.00 C ATOM 314 C ASP A 23 -11.326 -3.711 3.829 1.00 0.00 C ATOM 315 O ASP A 23 -10.446 -2.912 4.150 1.00 0.00 O ATOM 316 CB ASP A 23 -12.922 -4.442 5.611 1.00 0.00 C ATOM 317 CG ASP A 23 -14.374 -4.555 6.037 1.00 0.00 C ATOM 318 OD1 ASP A 23 -15.126 -3.578 5.843 1.00 0.00 O ATOM 319 OD2 ASP A 23 -14.755 -5.621 6.565 1.00 0.00 O ATOM 0 H ASP A 23 -14.538 -4.430 3.710 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.906 -2.523 4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -12.527 -5.438 5.409 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -12.337 -4.027 6.431 1.00 0.00 H new ATOM 324 N GLU A 24 -11.111 -4.734 3.009 1.00 0.00 N ATOM 325 CA GLU A 24 -9.798 -4.983 2.426 1.00 0.00 C ATOM 326 C GLU A 24 -9.767 -4.573 0.957 1.00 0.00 C ATOM 327 O GLU A 24 -10.783 -4.634 0.264 1.00 0.00 O ATOM 328 CB GLU A 24 -9.427 -6.462 2.562 1.00 0.00 C ATOM 329 CG GLU A 24 -9.261 -6.918 4.002 1.00 0.00 C ATOM 330 CD GLU A 24 -9.254 -8.428 4.139 1.00 0.00 C ATOM 331 OE1 GLU A 24 -8.715 -9.103 3.238 1.00 0.00 O ATOM 332 OE2 GLU A 24 -9.789 -8.934 5.147 1.00 0.00 O ATOM 0 H GLU A 24 -11.829 -5.404 2.733 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.069 -4.381 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.198 -7.067 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.498 -6.646 2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.330 -6.516 4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.070 -6.506 4.605 1.00 0.00 H new ATOM 339 N ILE A 25 -8.596 -4.154 0.490 1.00 0.00 N ATOM 340 CA ILE A 25 -8.433 -3.734 -0.896 1.00 0.00 C ATOM 341 C ILE A 25 -7.495 -4.671 -1.648 1.00 0.00 C ATOM 342 O ILE A 25 -6.424 -5.022 -1.154 1.00 0.00 O ATOM 343 CB ILE A 25 -7.888 -2.296 -0.988 1.00 0.00 C ATOM 344 CG1 ILE A 25 -8.207 -1.695 -2.358 1.00 0.00 C ATOM 345 CG2 ILE A 25 -6.389 -2.281 -0.733 1.00 0.00 C ATOM 346 CD1 ILE A 25 -8.185 -0.181 -2.373 1.00 0.00 C ATOM 0 H ILE A 25 -7.746 -4.096 1.051 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.421 -3.769 -1.355 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.373 -1.689 -0.223 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.487 -2.068 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.191 -2.039 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.019 -1.258 -0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.185 -2.675 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.887 -2.899 -1.477 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.420 0.176 -3.376 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.925 0.201 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -7.195 0.171 -2.085 1.00 0.00 H new ATOM 358 N GLY A 26 -7.903 -5.073 -2.848 1.00 0.00 N ATOM 359 CA GLY A 26 -7.086 -5.964 -3.650 1.00 0.00 C ATOM 360 C GLY A 26 -6.345 -5.236 -4.754 1.00 0.00 C ATOM 361 O GLY A 26 -6.931 -4.430 -5.477 1.00 0.00 O ATOM 0 H GLY A 26 -8.785 -4.797 -3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.366 -6.470 -3.006 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.719 -6.735 -4.089 1.00 0.00 H new ATOM 365 N PHE A 27 -5.053 -5.519 -4.885 1.00 0.00 N ATOM 366 CA PHE A 27 -4.231 -4.883 -5.907 1.00 0.00 C ATOM 367 C PHE A 27 -3.421 -5.921 -6.677 1.00 0.00 C ATOM 368 O PHE A 27 -3.537 -7.121 -6.431 1.00 0.00 O ATOM 369 CB PHE A 27 -3.292 -3.856 -5.270 1.00 0.00 C ATOM 370 CG PHE A 27 -2.785 -4.266 -3.917 1.00 0.00 C ATOM 371 CD1 PHE A 27 -1.874 -5.302 -3.787 1.00 0.00 C ATOM 372 CD2 PHE A 27 -3.222 -3.616 -2.773 1.00 0.00 C ATOM 373 CE1 PHE A 27 -1.406 -5.680 -2.543 1.00 0.00 C ATOM 374 CE2 PHE A 27 -2.757 -3.990 -1.527 1.00 0.00 C ATOM 375 CZ PHE A 27 -1.848 -5.025 -1.412 1.00 0.00 C ATOM 0 H PHE A 27 -4.553 -6.185 -4.296 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.894 -4.374 -6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.443 -3.692 -5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.815 -2.904 -5.180 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.526 -5.820 -4.668 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.934 -2.808 -2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.695 -6.488 -2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.103 -3.474 -0.644 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.485 -5.320 -0.439 1.00 0.00 H new ATOM 385 N GLU A 28 -2.601 -5.450 -7.611 1.00 0.00 N ATOM 386 CA GLU A 28 -1.772 -6.338 -8.418 1.00 0.00 C ATOM 387 C GLU A 28 -0.302 -6.212 -8.030 1.00 0.00 C ATOM 388 O GLU A 28 0.072 -5.347 -7.238 1.00 0.00 O ATOM 389 CB GLU A 28 -1.948 -6.024 -9.906 1.00 0.00 C ATOM 390 CG GLU A 28 -1.432 -4.651 -10.302 1.00 0.00 C ATOM 391 CD GLU A 28 -1.229 -4.514 -11.799 1.00 0.00 C ATOM 392 OE1 GLU A 28 -2.119 -4.952 -12.560 1.00 0.00 O ATOM 393 OE2 GLU A 28 -0.183 -3.972 -12.210 1.00 0.00 O ATOM 0 H GLU A 28 -2.493 -4.459 -7.828 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.092 -7.363 -8.230 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.428 -6.782 -10.493 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.005 -6.093 -10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.136 -3.891 -9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.488 -4.461 -9.792 1.00 0.00 H new ATOM 400 N LYS A 29 0.530 -7.081 -8.595 1.00 0.00 N ATOM 401 CA LYS A 29 1.960 -7.069 -8.311 1.00 0.00 C ATOM 402 C LYS A 29 2.702 -6.170 -9.296 1.00 0.00 C ATOM 403 O LYS A 29 2.683 -6.407 -10.503 1.00 0.00 O ATOM 404 CB LYS A 29 2.525 -8.489 -8.373 1.00 0.00 C ATOM 405 CG LYS A 29 4.018 -8.537 -8.649 1.00 0.00 C ATOM 406 CD LYS A 29 4.523 -9.968 -8.734 1.00 0.00 C ATOM 407 CE LYS A 29 6.040 -10.018 -8.832 1.00 0.00 C ATOM 408 NZ LYS A 29 6.576 -11.356 -8.457 1.00 0.00 N ATOM 0 H LYS A 29 0.238 -7.803 -9.253 1.00 0.00 H new ATOM 0 HA LYS A 29 2.103 -6.672 -7.306 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.322 -8.994 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.002 -9.046 -9.151 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.233 -8.018 -9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.552 -8.008 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.195 -10.523 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.085 -10.459 -9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.346 -9.776 -9.850 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.471 -9.258 -8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.613 -11.349 -8.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.305 -11.576 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.184 -12.078 -9.095 1.00 0.00 H new ATOM 422 N GLY A 30 3.358 -5.139 -8.772 1.00 0.00 N ATOM 423 CA GLY A 30 4.098 -4.223 -9.619 1.00 0.00 C ATOM 424 C GLY A 30 3.441 -2.860 -9.711 1.00 0.00 C ATOM 425 O GLY A 30 3.556 -2.174 -10.728 1.00 0.00 O ATOM 0 H GLY A 30 3.390 -4.922 -7.776 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.110 -4.110 -9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.187 -4.648 -10.619 1.00 0.00 H new ATOM 429 N VAL A 31 2.751 -2.464 -8.647 1.00 0.00 N ATOM 430 CA VAL A 31 2.073 -1.174 -8.612 1.00 0.00 C ATOM 431 C VAL A 31 2.539 -0.341 -7.423 1.00 0.00 C ATOM 432 O VAL A 31 3.190 -0.849 -6.510 1.00 0.00 O ATOM 433 CB VAL A 31 0.544 -1.346 -8.537 1.00 0.00 C ATOM 434 CG1 VAL A 31 -0.007 -1.822 -9.872 1.00 0.00 C ATOM 435 CG2 VAL A 31 0.170 -2.310 -7.421 1.00 0.00 C ATOM 0 H VAL A 31 2.647 -3.018 -7.797 1.00 0.00 H new ATOM 0 HA VAL A 31 2.328 -0.656 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 31 0.098 -0.377 -8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.088 -1.938 -9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.228 -1.090 -10.645 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.444 -2.780 -10.131 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.914 -2.419 -7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.626 -3.281 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.529 -1.921 -6.468 1.00 0.00 H new ATOM 445 N THR A 32 2.200 0.945 -7.440 1.00 0.00 N ATOM 446 CA THR A 32 2.584 1.851 -6.365 1.00 0.00 C ATOM 447 C THR A 32 1.421 2.097 -5.411 1.00 0.00 C ATOM 448 O THR A 32 0.293 2.334 -5.841 1.00 0.00 O ATOM 449 CB THR A 32 3.076 3.202 -6.917 1.00 0.00 C ATOM 450 OG1 THR A 32 4.219 3.002 -7.756 1.00 0.00 O ATOM 451 CG2 THR A 32 3.434 4.152 -5.784 1.00 0.00 C ATOM 0 H THR A 32 1.660 1.382 -8.187 1.00 0.00 H new ATOM 0 HA THR A 32 3.399 1.371 -5.823 1.00 0.00 H new ATOM 0 HB THR A 32 2.270 3.645 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.524 3.866 -8.104 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.779 5.099 -6.199 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.555 4.326 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.225 3.712 -5.177 1.00 0.00 H new ATOM 459 N VAL A 33 1.702 2.040 -4.114 1.00 0.00 N ATOM 460 CA VAL A 33 0.679 2.258 -3.098 1.00 0.00 C ATOM 461 C VAL A 33 1.109 3.332 -2.106 1.00 0.00 C ATOM 462 O VAL A 33 2.299 3.611 -1.955 1.00 0.00 O ATOM 463 CB VAL A 33 0.365 0.961 -2.329 1.00 0.00 C ATOM 464 CG1 VAL A 33 -0.364 -0.028 -3.225 1.00 0.00 C ATOM 465 CG2 VAL A 33 1.642 0.349 -1.774 1.00 0.00 C ATOM 0 H VAL A 33 2.631 1.844 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.219 2.588 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.288 1.205 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.577 -0.938 -2.664 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.299 0.414 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.261 -0.270 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.402 -0.567 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.321 0.118 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.119 1.056 -1.096 1.00 0.00 H new ATOM 475 N GLU A 34 0.133 3.934 -1.433 1.00 0.00 N ATOM 476 CA GLU A 34 0.412 4.980 -0.456 1.00 0.00 C ATOM 477 C GLU A 34 0.076 4.509 0.956 1.00 0.00 C ATOM 478 O GLU A 34 -1.093 4.346 1.306 1.00 0.00 O ATOM 479 CB GLU A 34 -0.385 6.243 -0.787 1.00 0.00 C ATOM 480 CG GLU A 34 0.306 7.154 -1.788 1.00 0.00 C ATOM 481 CD GLU A 34 1.328 8.067 -1.140 1.00 0.00 C ATOM 482 OE1 GLU A 34 1.813 7.728 -0.040 1.00 0.00 O ATOM 483 OE2 GLU A 34 1.642 9.120 -1.732 1.00 0.00 O ATOM 0 H GLU A 34 -0.857 3.715 -1.546 1.00 0.00 H new ATOM 0 HA GLU A 34 1.477 5.209 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.359 5.955 -1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.567 6.799 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.798 6.546 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.443 7.759 -2.300 1.00 0.00 H new ATOM 490 N VAL A 35 1.110 4.289 1.762 1.00 0.00 N ATOM 491 CA VAL A 35 0.926 3.837 3.135 1.00 0.00 C ATOM 492 C VAL A 35 0.445 4.975 4.029 1.00 0.00 C ATOM 493 O VAL A 35 1.170 5.941 4.266 1.00 0.00 O ATOM 494 CB VAL A 35 2.231 3.259 3.716 1.00 0.00 C ATOM 495 CG1 VAL A 35 2.017 2.792 5.147 1.00 0.00 C ATOM 496 CG2 VAL A 35 2.743 2.123 2.846 1.00 0.00 C ATOM 0 H VAL A 35 2.084 4.417 1.487 1.00 0.00 H new ATOM 0 HA VAL A 35 0.169 3.053 3.111 1.00 0.00 H new ATOM 0 HB VAL A 35 2.985 4.046 3.726 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.949 2.387 5.541 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.699 3.635 5.761 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.249 2.019 5.166 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.665 1.726 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.994 1.332 2.802 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.937 2.494 1.840 1.00 0.00 H new ATOM 506 N ILE A 36 -0.783 4.853 4.524 1.00 0.00 N ATOM 507 CA ILE A 36 -1.360 5.871 5.393 1.00 0.00 C ATOM 508 C ILE A 36 -1.144 5.525 6.863 1.00 0.00 C ATOM 509 O ILE A 36 -0.518 6.283 7.603 1.00 0.00 O ATOM 510 CB ILE A 36 -2.869 6.042 5.134 1.00 0.00 C ATOM 511 CG1 ILE A 36 -3.130 6.266 3.643 1.00 0.00 C ATOM 512 CG2 ILE A 36 -3.418 7.200 5.953 1.00 0.00 C ATOM 513 CD1 ILE A 36 -4.498 5.805 3.193 1.00 0.00 C ATOM 0 H ILE A 36 -1.397 4.060 4.338 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.852 6.808 5.164 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.382 5.130 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.021 7.327 3.419 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.370 5.739 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.485 7.309 5.760 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.260 7.003 7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.903 8.119 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.613 5.995 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.604 4.737 3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.265 6.350 3.743 1.00 0.00 H new ATOM 525 N ARG A 37 -1.664 4.375 7.277 1.00 0.00 N ATOM 526 CA ARG A 37 -1.528 3.928 8.658 1.00 0.00 C ATOM 527 C ARG A 37 -0.692 2.654 8.738 1.00 0.00 C ATOM 528 O ARG A 37 -0.582 1.908 7.764 1.00 0.00 O ATOM 529 CB ARG A 37 -2.906 3.685 9.276 1.00 0.00 C ATOM 530 CG ARG A 37 -3.841 4.879 9.170 1.00 0.00 C ATOM 531 CD ARG A 37 -3.564 5.901 10.262 1.00 0.00 C ATOM 532 NE ARG A 37 -3.739 5.337 11.598 1.00 0.00 N ATOM 533 CZ ARG A 37 -3.544 6.023 12.718 1.00 0.00 C ATOM 534 NH1 ARG A 37 -3.168 7.293 12.663 1.00 0.00 N ATOM 535 NH2 ARG A 37 -3.725 5.439 13.895 1.00 0.00 N ATOM 0 H ARG A 37 -2.184 3.735 6.676 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.019 4.712 9.218 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.368 2.828 8.786 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.782 3.423 10.327 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.725 5.348 8.193 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.875 4.541 9.240 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.546 6.276 10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.232 6.753 10.138 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.027 4.362 11.675 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.028 7.745 11.759 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.019 7.818 13.524 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.014 4.462 13.940 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.575 5.967 14.755 1.00 0.00 H new ATOM 549 N LYS A 38 -0.101 2.412 9.903 1.00 0.00 N ATOM 550 CA LYS A 38 0.725 1.230 10.111 1.00 0.00 C ATOM 551 C LYS A 38 0.410 0.574 11.452 1.00 0.00 C ATOM 552 O LYS A 38 0.753 1.103 12.508 1.00 0.00 O ATOM 553 CB LYS A 38 2.208 1.602 10.051 1.00 0.00 C ATOM 554 CG LYS A 38 2.732 1.787 8.638 1.00 0.00 C ATOM 555 CD LYS A 38 4.231 2.042 8.627 1.00 0.00 C ATOM 556 CE LYS A 38 4.544 3.526 8.744 1.00 0.00 C ATOM 557 NZ LYS A 38 5.992 3.768 8.992 1.00 0.00 N ATOM 0 H LYS A 38 -0.179 3.020 10.718 1.00 0.00 H new ATOM 0 HA LYS A 38 0.502 0.518 9.316 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.366 2.523 10.612 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.789 0.824 10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.509 0.899 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.217 2.623 8.164 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.699 1.504 9.452 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.661 1.650 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.242 4.034 7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.959 3.958 9.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.102 4.526 9.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.433 2.897 9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.454 4.051 8.104 1.00 0.00 H new ATOM 571 N ASN A 39 -0.246 -0.581 11.400 1.00 0.00 N ATOM 572 CA ASN A 39 -0.608 -1.310 12.610 1.00 0.00 C ATOM 573 C ASN A 39 0.436 -2.372 12.939 1.00 0.00 C ATOM 574 O ASN A 39 1.467 -2.473 12.272 1.00 0.00 O ATOM 575 CB ASN A 39 -1.982 -1.962 12.447 1.00 0.00 C ATOM 576 CG ASN A 39 -3.101 -0.942 12.369 1.00 0.00 C ATOM 577 OD1 ASN A 39 -2.957 0.107 11.741 1.00 0.00 O ATOM 578 ND2 ASN A 39 -4.225 -1.246 13.007 1.00 0.00 N ATOM 0 H ASN A 39 -0.538 -1.032 10.533 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.647 -0.598 13.434 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -1.987 -2.572 11.544 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.164 -2.634 13.286 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -5.013 -0.598 12.989 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.301 -2.127 13.515 1.00 0.00 H new ATOM 585 N LEU A 40 0.164 -3.164 13.970 1.00 0.00 N ATOM 586 CA LEU A 40 1.078 -4.221 14.386 1.00 0.00 C ATOM 587 C LEU A 40 0.619 -5.577 13.862 1.00 0.00 C ATOM 588 O LEU A 40 1.436 -6.455 13.585 1.00 0.00 O ATOM 589 CB LEU A 40 1.182 -4.260 15.913 1.00 0.00 C ATOM 590 CG LEU A 40 2.244 -3.353 16.536 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.969 -3.152 18.018 1.00 0.00 C ATOM 592 CD2 LEU A 40 3.634 -3.935 16.324 1.00 0.00 C ATOM 0 H LEU A 40 -0.683 -3.094 14.534 1.00 0.00 H new ATOM 0 HA LEU A 40 2.060 -4.004 13.965 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.212 -3.990 16.330 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.386 -5.287 16.217 1.00 0.00 H new ATOM 0 HG LEU A 40 2.200 -2.382 16.043 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.734 -2.504 18.445 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.990 -2.691 18.147 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.986 -4.117 18.525 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.377 -3.276 16.774 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.692 -4.919 16.790 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.831 -4.028 15.256 1.00 0.00 H new ATOM 604 N GLU A 41 -0.694 -5.741 13.726 1.00 0.00 N ATOM 605 CA GLU A 41 -1.260 -6.989 13.233 1.00 0.00 C ATOM 606 C GLU A 41 -1.105 -7.098 11.719 1.00 0.00 C ATOM 607 O GLU A 41 -2.088 -7.225 10.990 1.00 0.00 O ATOM 608 CB GLU A 41 -2.740 -7.090 13.612 1.00 0.00 C ATOM 609 CG GLU A 41 -2.971 -7.379 15.087 1.00 0.00 C ATOM 610 CD GLU A 41 -2.589 -6.213 15.977 1.00 0.00 C ATOM 611 OE1 GLU A 41 -3.434 -5.312 16.170 1.00 0.00 O ATOM 612 OE2 GLU A 41 -1.447 -6.199 16.481 1.00 0.00 O ATOM 0 H GLU A 41 -1.384 -5.024 13.951 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.716 -7.811 13.697 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.238 -6.156 13.351 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.206 -7.877 13.019 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.021 -7.623 15.245 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.393 -8.257 15.376 1.00 0.00 H new ATOM 619 N GLY A 42 0.140 -7.047 11.253 1.00 0.00 N ATOM 620 CA GLY A 42 0.402 -7.139 9.829 1.00 0.00 C ATOM 621 C GLY A 42 -0.660 -6.448 8.997 1.00 0.00 C ATOM 622 O GLY A 42 -1.071 -6.960 7.955 1.00 0.00 O ATOM 0 H GLY A 42 0.970 -6.944 11.836 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.374 -6.696 9.612 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.459 -8.189 9.540 1.00 0.00 H new ATOM 626 N TRP A 43 -1.105 -5.285 9.457 1.00 0.00 N ATOM 627 CA TRP A 43 -2.128 -4.524 8.748 1.00 0.00 C ATOM 628 C TRP A 43 -1.648 -3.105 8.460 1.00 0.00 C ATOM 629 O TRP A 43 -1.482 -2.298 9.375 1.00 0.00 O ATOM 630 CB TRP A 43 -3.419 -4.482 9.565 1.00 0.00 C ATOM 631 CG TRP A 43 -4.315 -5.657 9.320 1.00 0.00 C ATOM 632 CD1 TRP A 43 -4.820 -6.514 10.257 1.00 0.00 C ATOM 633 CD2 TRP A 43 -4.812 -6.107 8.054 1.00 0.00 C ATOM 634 NE1 TRP A 43 -5.600 -7.469 9.650 1.00 0.00 N ATOM 635 CE2 TRP A 43 -5.612 -7.241 8.299 1.00 0.00 C ATOM 636 CE3 TRP A 43 -4.660 -5.662 6.739 1.00 0.00 C ATOM 637 CZ2 TRP A 43 -6.254 -7.933 7.277 1.00 0.00 C ATOM 638 CZ3 TRP A 43 -5.298 -6.350 5.725 1.00 0.00 C ATOM 639 CH2 TRP A 43 -6.088 -7.475 5.998 1.00 0.00 C ATOM 0 H TRP A 43 -0.774 -4.848 10.317 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.323 -5.022 7.798 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.168 -4.440 10.625 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.960 -3.566 9.329 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.634 -6.450 11.319 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.090 -8.225 10.128 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.054 -4.795 6.519 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -6.862 -8.801 7.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -5.186 -6.015 4.704 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -6.575 -7.990 5.183 1.00 0.00 H new ATOM 650 N TRP A 44 -1.427 -2.808 7.184 1.00 0.00 N ATOM 651 CA TRP A 44 -0.966 -1.486 6.776 1.00 0.00 C ATOM 652 C TRP A 44 -1.982 -0.815 5.858 1.00 0.00 C ATOM 653 O TRP A 44 -2.118 -1.185 4.691 1.00 0.00 O ATOM 654 CB TRP A 44 0.387 -1.590 6.070 1.00 0.00 C ATOM 655 CG TRP A 44 1.542 -1.725 7.017 1.00 0.00 C ATOM 656 CD1 TRP A 44 1.543 -2.373 8.219 1.00 0.00 C ATOM 657 CD2 TRP A 44 2.862 -1.200 6.839 1.00 0.00 C ATOM 658 NE1 TRP A 44 2.786 -2.281 8.800 1.00 0.00 N ATOM 659 CE2 TRP A 44 3.612 -1.566 7.973 1.00 0.00 C ATOM 660 CE3 TRP A 44 3.483 -0.456 5.832 1.00 0.00 C ATOM 661 CZ2 TRP A 44 4.950 -1.214 8.126 1.00 0.00 C ATOM 662 CZ3 TRP A 44 4.810 -0.107 5.985 1.00 0.00 C ATOM 663 CH2 TRP A 44 5.532 -0.486 7.125 1.00 0.00 C ATOM 0 H TRP A 44 -1.560 -3.465 6.415 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.854 -0.875 7.672 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.374 -2.449 5.399 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.535 -0.705 5.451 1.00 0.00 H new ATOM 0 HD1 TRP A 44 0.693 -2.882 8.650 1.00 0.00 H new ATOM 0 HE1 TRP A 44 3.050 -2.680 9.701 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.935 -0.159 4.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.508 -1.505 9.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.300 0.468 5.213 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.569 -0.197 7.215 1.00 0.00 H new ATOM 674 N TYR A 45 -2.693 0.172 6.391 1.00 0.00 N ATOM 675 CA TYR A 45 -3.698 0.893 5.620 1.00 0.00 C ATOM 676 C TYR A 45 -3.055 1.661 4.469 1.00 0.00 C ATOM 677 O TYR A 45 -2.271 2.585 4.687 1.00 0.00 O ATOM 678 CB TYR A 45 -4.470 1.857 6.522 1.00 0.00 C ATOM 679 CG TYR A 45 -5.895 2.094 6.076 1.00 0.00 C ATOM 680 CD1 TYR A 45 -6.794 1.041 5.970 1.00 0.00 C ATOM 681 CD2 TYR A 45 -6.342 3.371 5.763 1.00 0.00 C ATOM 682 CE1 TYR A 45 -8.097 1.253 5.563 1.00 0.00 C ATOM 683 CE2 TYR A 45 -7.644 3.593 5.357 1.00 0.00 C ATOM 684 CZ TYR A 45 -8.517 2.530 5.257 1.00 0.00 C ATOM 685 OH TYR A 45 -9.815 2.745 4.853 1.00 0.00 O ATOM 0 H TYR A 45 -2.592 0.491 7.354 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.391 0.162 5.203 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.477 1.463 7.538 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.945 2.811 6.553 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.469 0.039 6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.660 4.205 5.838 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.783 0.423 5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.976 4.593 5.119 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.100 2.014 4.266 1.00 0.00 H new ATOM 695 N ILE A 46 -3.392 1.271 3.244 1.00 0.00 N ATOM 696 CA ILE A 46 -2.849 1.924 2.059 1.00 0.00 C ATOM 697 C ILE A 46 -3.963 2.483 1.180 1.00 0.00 C ATOM 698 O ILE A 46 -5.145 2.254 1.437 1.00 0.00 O ATOM 699 CB ILE A 46 -1.993 0.953 1.225 1.00 0.00 C ATOM 700 CG1 ILE A 46 -2.870 -0.145 0.618 1.00 0.00 C ATOM 701 CG2 ILE A 46 -0.893 0.345 2.083 1.00 0.00 C ATOM 702 CD1 ILE A 46 -2.325 -0.706 -0.676 1.00 0.00 C ATOM 0 H ILE A 46 -4.038 0.507 3.046 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.220 2.742 2.410 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.528 1.511 0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.976 -0.955 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.868 0.255 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.297 -0.339 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.254 1.138 2.471 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.340 -0.200 2.914 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.997 -1.479 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.245 0.092 -1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.339 -1.137 -0.499 1.00 0.00 H new ATOM 714 N ARG A 47 -3.577 3.218 0.142 1.00 0.00 N ATOM 715 CA ARG A 47 -4.543 3.810 -0.775 1.00 0.00 C ATOM 716 C ARG A 47 -4.218 3.443 -2.220 1.00 0.00 C ATOM 717 O ARG A 47 -3.132 3.742 -2.717 1.00 0.00 O ATOM 718 CB ARG A 47 -4.563 5.332 -0.617 1.00 0.00 C ATOM 719 CG ARG A 47 -5.828 5.984 -1.150 1.00 0.00 C ATOM 720 CD ARG A 47 -5.651 7.484 -1.327 1.00 0.00 C ATOM 721 NE ARG A 47 -5.970 8.220 -0.106 1.00 0.00 N ATOM 722 CZ ARG A 47 -5.105 8.411 0.885 1.00 0.00 C ATOM 723 NH1 ARG A 47 -3.876 7.921 0.799 1.00 0.00 N ATOM 724 NH2 ARG A 47 -5.470 9.092 1.963 1.00 0.00 N ATOM 0 H ARG A 47 -2.603 3.417 -0.085 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.528 3.413 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.454 5.580 0.439 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.701 5.754 -1.135 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.096 5.533 -2.106 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -6.654 5.793 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.623 7.696 -1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.291 7.832 -2.138 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.908 8.609 -0.009 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.593 7.396 -0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.214 8.069 1.561 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.415 9.470 2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.806 9.238 2.723 1.00 0.00 H new ATOM 738 N TYR A 48 -5.165 2.793 -2.888 1.00 0.00 N ATOM 739 CA TYR A 48 -4.977 2.383 -4.274 1.00 0.00 C ATOM 740 C TYR A 48 -6.282 2.495 -5.057 1.00 0.00 C ATOM 741 O TYR A 48 -7.364 2.255 -4.520 1.00 0.00 O ATOM 742 CB TYR A 48 -4.454 0.947 -4.336 1.00 0.00 C ATOM 743 CG TYR A 48 -4.418 0.375 -5.736 1.00 0.00 C ATOM 744 CD1 TYR A 48 -3.647 0.967 -6.728 1.00 0.00 C ATOM 745 CD2 TYR A 48 -5.152 -0.757 -6.064 1.00 0.00 C ATOM 746 CE1 TYR A 48 -3.612 0.449 -8.009 1.00 0.00 C ATOM 747 CE2 TYR A 48 -5.122 -1.283 -7.341 1.00 0.00 C ATOM 748 CZ TYR A 48 -4.350 -0.677 -8.310 1.00 0.00 C ATOM 749 OH TYR A 48 -4.317 -1.196 -9.584 1.00 0.00 O ATOM 0 H TYR A 48 -6.070 2.539 -2.492 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.244 3.050 -4.728 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -3.449 0.917 -3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.082 0.313 -3.710 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.065 1.847 -6.495 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.757 -1.235 -5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.010 0.923 -8.770 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -5.700 -2.164 -7.579 1.00 0.00 H new ATOM 0 HH TYR A 48 -4.891 -1.989 -9.629 1.00 0.00 H new ATOM 759 N LEU A 49 -6.171 2.861 -6.329 1.00 0.00 N ATOM 760 CA LEU A 49 -7.341 3.005 -7.188 1.00 0.00 C ATOM 761 C LEU A 49 -8.360 3.955 -6.566 1.00 0.00 C ATOM 762 O LEU A 49 -9.568 3.769 -6.712 1.00 0.00 O ATOM 763 CB LEU A 49 -7.986 1.641 -7.438 1.00 0.00 C ATOM 764 CG LEU A 49 -7.445 0.852 -8.631 1.00 0.00 C ATOM 765 CD1 LEU A 49 -8.061 -0.539 -8.676 1.00 0.00 C ATOM 766 CD2 LEU A 49 -7.713 1.598 -9.930 1.00 0.00 C ATOM 0 H LEU A 49 -5.283 3.063 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.013 3.425 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.864 1.034 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.057 1.788 -7.580 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.367 0.746 -8.512 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -7.664 -1.085 -9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -7.817 -1.075 -7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.144 -0.455 -8.770 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.321 1.022 -10.768 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.787 1.736 -10.055 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.223 2.571 -9.898 1.00 0.00 H new ATOM 778 N GLY A 50 -7.864 4.974 -5.872 1.00 0.00 N ATOM 779 CA GLY A 50 -8.745 5.940 -5.240 1.00 0.00 C ATOM 780 C GLY A 50 -9.630 5.311 -4.182 1.00 0.00 C ATOM 781 O GLY A 50 -10.788 5.696 -4.022 1.00 0.00 O ATOM 0 H GLY A 50 -6.868 5.149 -5.736 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -8.147 6.730 -4.786 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.370 6.409 -6.000 1.00 0.00 H new ATOM 785 N LYS A 51 -9.084 4.341 -3.458 1.00 0.00 N ATOM 786 CA LYS A 51 -9.831 3.655 -2.409 1.00 0.00 C ATOM 787 C LYS A 51 -8.908 3.239 -1.268 1.00 0.00 C ATOM 788 O LYS A 51 -7.812 2.731 -1.500 1.00 0.00 O ATOM 789 CB LYS A 51 -10.541 2.427 -2.980 1.00 0.00 C ATOM 790 CG LYS A 51 -11.585 2.761 -4.032 1.00 0.00 C ATOM 791 CD LYS A 51 -12.176 1.506 -4.650 1.00 0.00 C ATOM 792 CE LYS A 51 -13.292 0.934 -3.790 1.00 0.00 C ATOM 793 NZ LYS A 51 -13.454 -0.532 -3.993 1.00 0.00 N ATOM 0 H LYS A 51 -8.126 4.011 -3.578 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.576 4.346 -2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.799 1.759 -3.417 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.019 1.883 -2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.380 3.355 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.133 3.374 -4.812 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.562 1.735 -5.643 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -11.393 0.758 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.080 1.134 -2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -14.228 1.439 -4.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.224 -0.883 -3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.682 -0.721 -4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.569 -1.017 -3.742 1.00 0.00 H new ATOM 807 N GLU A 52 -9.361 3.455 -0.037 1.00 0.00 N ATOM 808 CA GLU A 52 -8.575 3.100 1.139 1.00 0.00 C ATOM 809 C GLU A 52 -9.080 1.800 1.758 1.00 0.00 C ATOM 810 O GLU A 52 -10.263 1.664 2.065 1.00 0.00 O ATOM 811 CB GLU A 52 -8.628 4.226 2.173 1.00 0.00 C ATOM 812 CG GLU A 52 -8.061 5.542 1.671 1.00 0.00 C ATOM 813 CD GLU A 52 -8.444 6.717 2.551 1.00 0.00 C ATOM 814 OE1 GLU A 52 -8.268 6.618 3.783 1.00 0.00 O ATOM 815 OE2 GLU A 52 -8.922 7.734 2.006 1.00 0.00 O ATOM 0 H GLU A 52 -10.267 3.874 0.172 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.542 2.954 0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.663 4.379 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.076 3.918 3.061 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.975 5.470 1.621 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.416 5.722 0.656 1.00 0.00 H new ATOM 822 N GLY A 53 -8.172 0.845 1.939 1.00 0.00 N ATOM 823 CA GLY A 53 -8.543 -0.431 2.519 1.00 0.00 C ATOM 824 C GLY A 53 -7.426 -1.041 3.342 1.00 0.00 C ATOM 825 O GLY A 53 -6.347 -0.460 3.463 1.00 0.00 O ATOM 0 H GLY A 53 -7.186 0.933 1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -9.423 -0.298 3.148 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -8.822 -1.121 1.723 1.00 0.00 H new ATOM 829 N TRP A 54 -7.684 -2.213 3.912 1.00 0.00 N ATOM 830 CA TRP A 54 -6.692 -2.901 4.730 1.00 0.00 C ATOM 831 C TRP A 54 -5.919 -3.924 3.904 1.00 0.00 C ATOM 832 O TRP A 54 -6.513 -4.784 3.254 1.00 0.00 O ATOM 833 CB TRP A 54 -7.367 -3.589 5.916 1.00 0.00 C ATOM 834 CG TRP A 54 -7.653 -2.660 7.058 1.00 0.00 C ATOM 835 CD1 TRP A 54 -8.881 -2.244 7.486 1.00 0.00 C ATOM 836 CD2 TRP A 54 -6.693 -2.033 7.914 1.00 0.00 C ATOM 837 NE1 TRP A 54 -8.742 -1.394 8.557 1.00 0.00 N ATOM 838 CE2 TRP A 54 -7.410 -1.250 8.840 1.00 0.00 C ATOM 839 CE3 TRP A 54 -5.298 -2.059 7.990 1.00 0.00 C ATOM 840 CZ2 TRP A 54 -6.776 -0.500 9.827 1.00 0.00 C ATOM 841 CZ3 TRP A 54 -4.670 -1.313 8.971 1.00 0.00 C ATOM 842 CH2 TRP A 54 -5.410 -0.543 9.878 1.00 0.00 C ATOM 0 H TRP A 54 -8.572 -2.707 3.823 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.988 -2.158 5.104 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -8.301 -4.040 5.582 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.729 -4.400 6.268 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -9.823 -2.539 7.048 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.507 -0.944 9.059 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.721 -2.651 7.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.343 0.095 10.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.592 -1.324 9.039 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -4.891 0.028 10.633 1.00 0.00 H new ATOM 853 N ALA A 55 -4.595 -3.824 3.933 1.00 0.00 N ATOM 854 CA ALA A 55 -3.743 -4.744 3.190 1.00 0.00 C ATOM 855 C ALA A 55 -2.605 -5.265 4.060 1.00 0.00 C ATOM 856 O ALA A 55 -2.078 -4.561 4.922 1.00 0.00 O ATOM 857 CB ALA A 55 -3.190 -4.061 1.947 1.00 0.00 C ATOM 0 H ALA A 55 -4.089 -3.115 4.463 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.350 -5.597 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.555 -4.759 1.401 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.015 -3.744 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.604 -3.190 2.241 1.00 0.00 H new ATOM 863 N PRO A 56 -2.214 -6.528 3.833 1.00 0.00 N ATOM 864 CA PRO A 56 -1.134 -7.170 4.587 1.00 0.00 C ATOM 865 C PRO A 56 0.234 -6.584 4.255 1.00 0.00 C ATOM 866 O PRO A 56 0.660 -6.595 3.101 1.00 0.00 O ATOM 867 CB PRO A 56 -1.212 -8.633 4.140 1.00 0.00 C ATOM 868 CG PRO A 56 -1.840 -8.584 2.791 1.00 0.00 C ATOM 869 CD PRO A 56 -2.797 -7.425 2.820 1.00 0.00 C ATOM 0 HA PRO A 56 -1.249 -7.031 5.662 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.222 -9.088 4.100 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.808 -9.227 4.833 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.087 -8.448 2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.362 -9.515 2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.870 -6.939 1.847 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.803 -7.741 3.094 1.00 0.00 H new ATOM 877 N ALA A 57 0.916 -6.074 5.274 1.00 0.00 N ATOM 878 CA ALA A 57 2.237 -5.485 5.090 1.00 0.00 C ATOM 879 C ALA A 57 3.176 -6.455 4.381 1.00 0.00 C ATOM 880 O ALA A 57 4.148 -6.041 3.749 1.00 0.00 O ATOM 881 CB ALA A 57 2.821 -5.069 6.433 1.00 0.00 C ATOM 0 H ALA A 57 0.576 -6.056 6.236 1.00 0.00 H new ATOM 0 HA ALA A 57 2.129 -4.600 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.807 -4.631 6.281 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.166 -4.335 6.903 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.908 -5.943 7.078 1.00 0.00 H new ATOM 887 N SER A 58 2.879 -7.746 4.491 1.00 0.00 N ATOM 888 CA SER A 58 3.701 -8.775 3.864 1.00 0.00 C ATOM 889 C SER A 58 3.760 -8.576 2.353 1.00 0.00 C ATOM 890 O SER A 58 4.805 -8.768 1.731 1.00 0.00 O ATOM 891 CB SER A 58 3.148 -10.165 4.186 1.00 0.00 C ATOM 892 OG SER A 58 3.586 -10.605 5.459 1.00 0.00 O ATOM 0 H SER A 58 2.076 -8.104 5.008 1.00 0.00 H new ATOM 0 HA SER A 58 4.712 -8.692 4.264 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.059 -10.141 4.161 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.469 -10.874 3.422 1.00 0.00 H new ATOM 0 HG SER A 58 3.218 -11.495 5.642 1.00 0.00 H new ATOM 898 N TYR A 59 2.632 -8.189 1.769 1.00 0.00 N ATOM 899 CA TYR A 59 2.553 -7.966 0.330 1.00 0.00 C ATOM 900 C TYR A 59 2.906 -6.523 -0.018 1.00 0.00 C ATOM 901 O TYR A 59 2.418 -5.974 -1.006 1.00 0.00 O ATOM 902 CB TYR A 59 1.151 -8.299 -0.184 1.00 0.00 C ATOM 903 CG TYR A 59 0.860 -9.781 -0.232 1.00 0.00 C ATOM 904 CD1 TYR A 59 0.796 -10.535 0.934 1.00 0.00 C ATOM 905 CD2 TYR A 59 0.649 -10.429 -1.442 1.00 0.00 C ATOM 906 CE1 TYR A 59 0.531 -11.890 0.895 1.00 0.00 C ATOM 907 CE2 TYR A 59 0.382 -11.783 -1.491 1.00 0.00 C ATOM 908 CZ TYR A 59 0.324 -12.510 -0.320 1.00 0.00 C ATOM 909 OH TYR A 59 0.060 -13.859 -0.364 1.00 0.00 O ATOM 0 H TYR A 59 1.759 -8.023 2.270 1.00 0.00 H new ATOM 0 HA TYR A 59 3.275 -8.624 -0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 59 0.414 -7.813 0.455 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.031 -7.881 -1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.956 -10.053 1.887 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.695 -9.864 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.486 -12.461 1.811 1.00 0.00 H new ATOM 0 HE2 TYR A 59 0.219 -12.270 -2.441 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.062 -14.138 -1.295 1.00 0.00 H new ATOM 919 N LEU A 60 3.755 -5.914 0.802 1.00 0.00 N ATOM 920 CA LEU A 60 4.175 -4.535 0.583 1.00 0.00 C ATOM 921 C LEU A 60 5.634 -4.339 0.984 1.00 0.00 C ATOM 922 O LEU A 60 6.151 -5.043 1.851 1.00 0.00 O ATOM 923 CB LEU A 60 3.284 -3.578 1.377 1.00 0.00 C ATOM 924 CG LEU A 60 1.777 -3.814 1.264 1.00 0.00 C ATOM 925 CD1 LEU A 60 1.048 -3.181 2.439 1.00 0.00 C ATOM 926 CD2 LEU A 60 1.248 -3.266 -0.053 1.00 0.00 C ATOM 0 H LEU A 60 4.166 -6.354 1.625 1.00 0.00 H new ATOM 0 HA LEU A 60 4.077 -4.316 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.564 -3.641 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.498 -2.560 1.051 1.00 0.00 H new ATOM 0 HG LEU A 60 1.594 -4.888 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.023 -3.359 2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.406 -3.622 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.238 -2.108 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.174 -3.443 -0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.443 -2.195 -0.106 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.747 -3.767 -0.882 1.00 0.00 H new ATOM 938 N LYS A 61 6.292 -3.377 0.347 1.00 0.00 N ATOM 939 CA LYS A 61 7.691 -3.085 0.638 1.00 0.00 C ATOM 940 C LYS A 61 8.020 -1.628 0.322 1.00 0.00 C ATOM 941 O LYS A 61 7.498 -1.057 -0.636 1.00 0.00 O ATOM 942 CB LYS A 61 8.605 -4.011 -0.167 1.00 0.00 C ATOM 943 CG LYS A 61 8.878 -3.521 -1.578 1.00 0.00 C ATOM 944 CD LYS A 61 9.959 -4.346 -2.256 1.00 0.00 C ATOM 945 CE LYS A 61 10.153 -3.927 -3.706 1.00 0.00 C ATOM 946 NZ LYS A 61 11.290 -4.646 -4.343 1.00 0.00 N ATOM 0 H LYS A 61 5.879 -2.786 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 61 7.858 -3.255 1.702 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.553 -4.120 0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.152 -5.001 -0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.961 -3.569 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.183 -2.475 -1.548 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.898 -4.232 -1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.692 -5.402 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.239 -4.124 -4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.331 -2.853 -3.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.390 -4.333 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.167 -4.438 -3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.109 -5.670 -4.321 1.00 0.00 H new ATOM 960 N LYS A 62 8.888 -1.034 1.132 1.00 0.00 N ATOM 961 CA LYS A 62 9.290 0.354 0.938 1.00 0.00 C ATOM 962 C LYS A 62 10.005 0.532 -0.397 1.00 0.00 C ATOM 963 O LYS A 62 10.982 -0.158 -0.685 1.00 0.00 O ATOM 964 CB LYS A 62 10.201 0.807 2.082 1.00 0.00 C ATOM 965 CG LYS A 62 10.277 2.317 2.237 1.00 0.00 C ATOM 966 CD LYS A 62 11.347 2.720 3.237 1.00 0.00 C ATOM 967 CE LYS A 62 11.318 4.217 3.511 1.00 0.00 C ATOM 968 NZ LYS A 62 11.770 5.005 2.331 1.00 0.00 N ATOM 0 H LYS A 62 9.327 -1.492 1.930 1.00 0.00 H new ATOM 0 HA LYS A 62 8.390 0.970 0.933 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.843 0.372 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.204 0.416 1.913 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.491 2.773 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.310 2.700 2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.199 2.175 4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.328 2.438 2.855 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.306 4.517 3.782 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.957 4.443 4.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.736 6.020 2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.745 4.737 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.145 4.809 1.523 1.00 0.00 H new ATOM 982 N ALA A 63 9.512 1.464 -1.208 1.00 0.00 N ATOM 983 CA ALA A 63 10.106 1.734 -2.511 1.00 0.00 C ATOM 984 C ALA A 63 11.354 2.600 -2.375 1.00 0.00 C ATOM 985 O ALA A 63 11.506 3.342 -1.405 1.00 0.00 O ATOM 986 CB ALA A 63 9.092 2.406 -3.424 1.00 0.00 C ATOM 0 H ALA A 63 8.703 2.044 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 63 10.401 0.783 -2.953 1.00 0.00 H new ATOM 0 HB1 ALA A 63 9.549 2.602 -4.394 1.00 0.00 H new ATOM 0 HB2 ALA A 63 8.230 1.752 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.769 3.347 -2.979 1.00 0.00 H new ATOM 992 N LYS A 64 12.247 2.501 -3.354 1.00 0.00 N ATOM 993 CA LYS A 64 13.483 3.274 -3.346 1.00 0.00 C ATOM 994 C LYS A 64 13.598 4.129 -4.604 1.00 0.00 C ATOM 995 O LYS A 64 13.947 3.630 -5.675 1.00 0.00 O ATOM 996 CB LYS A 64 14.692 2.343 -3.237 1.00 0.00 C ATOM 997 CG LYS A 64 15.892 2.980 -2.557 1.00 0.00 C ATOM 998 CD LYS A 64 16.659 3.881 -3.511 1.00 0.00 C ATOM 999 CE LYS A 64 18.086 4.107 -3.036 1.00 0.00 C ATOM 1000 NZ LYS A 64 18.984 2.984 -3.421 1.00 0.00 N ATOM 0 H LYS A 64 12.137 1.892 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 64 13.463 3.935 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.403 1.450 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.981 2.019 -4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.559 3.560 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.554 2.201 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 64 16.672 3.434 -4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.147 4.839 -3.599 1.00 0.00 H new ATOM 0 HE2 LYS A 64 18.466 5.037 -3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 64 18.094 4.223 -1.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 19.947 3.177 -3.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 18.636 2.100 -2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 18.997 2.889 -4.457 1.00 0.00 H new ATOM 1014 N ASP A 65 13.305 5.417 -4.468 1.00 0.00 N ATOM 1015 CA ASP A 65 13.378 6.341 -5.594 1.00 0.00 C ATOM 1016 C ASP A 65 14.802 6.856 -5.782 1.00 0.00 C ATOM 1017 O ASP A 65 15.475 7.221 -4.818 1.00 0.00 O ATOM 1018 CB ASP A 65 12.423 7.516 -5.380 1.00 0.00 C ATOM 1019 CG ASP A 65 10.977 7.074 -5.274 1.00 0.00 C ATOM 1020 OD1 ASP A 65 10.612 6.481 -4.238 1.00 0.00 O ATOM 1021 OD2 ASP A 65 10.209 7.321 -6.228 1.00 0.00 O ATOM 0 H ASP A 65 13.015 5.845 -3.589 1.00 0.00 H new ATOM 0 HA ASP A 65 13.083 5.802 -6.494 1.00 0.00 H new ATOM 0 HB2 ASP A 65 12.705 8.049 -4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 65 12.525 8.219 -6.207 1.00 0.00 H new ATOM 1026 N SER A 66 15.256 6.879 -7.032 1.00 0.00 N ATOM 1027 CA SER A 66 16.603 7.344 -7.347 1.00 0.00 C ATOM 1028 C SER A 66 16.586 8.811 -7.767 1.00 0.00 C ATOM 1029 O SER A 66 15.835 9.205 -8.658 1.00 0.00 O ATOM 1030 CB SER A 66 17.212 6.490 -8.460 1.00 0.00 C ATOM 1031 OG SER A 66 16.566 6.730 -9.698 1.00 0.00 O ATOM 0 H SER A 66 14.712 6.582 -7.842 1.00 0.00 H new ATOM 0 HA SER A 66 17.214 7.248 -6.450 1.00 0.00 H new ATOM 0 HB2 SER A 66 18.275 6.711 -8.552 1.00 0.00 H new ATOM 0 HB3 SER A 66 17.127 5.435 -8.201 1.00 0.00 H new ATOM 0 HG SER A 66 16.043 7.557 -9.639 1.00 0.00 H new ATOM 1037 N GLY A 67 17.421 9.615 -7.116 1.00 0.00 N ATOM 1038 CA GLY A 67 17.489 11.029 -7.434 1.00 0.00 C ATOM 1039 C GLY A 67 18.730 11.693 -6.870 1.00 0.00 C ATOM 1040 O GLY A 67 19.367 11.184 -5.948 1.00 0.00 O ATOM 0 H GLY A 67 18.052 9.312 -6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.473 11.156 -8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 67 16.603 11.529 -7.042 1.00 0.00 H new ATOM 1044 N PRO A 68 19.093 12.854 -7.435 1.00 0.00 N ATOM 1045 CA PRO A 68 20.270 13.612 -6.999 1.00 0.00 C ATOM 1046 C PRO A 68 20.084 14.227 -5.617 1.00 0.00 C ATOM 1047 O PRO A 68 21.056 14.599 -4.957 1.00 0.00 O ATOM 1048 CB PRO A 68 20.398 14.709 -8.059 1.00 0.00 C ATOM 1049 CG PRO A 68 19.019 14.879 -8.597 1.00 0.00 C ATOM 1050 CD PRO A 68 18.381 13.518 -8.539 1.00 0.00 C ATOM 0 HA PRO A 68 21.153 12.979 -6.912 1.00 0.00 H new ATOM 0 HB2 PRO A 68 20.771 15.637 -7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 68 21.097 14.421 -8.844 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.455 15.600 -8.005 1.00 0.00 H new ATOM 0 HG3 PRO A 68 19.043 15.256 -9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.311 13.584 -8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 68 18.502 12.977 -9.478 1.00 0.00 H new ATOM 1058 N SER A 69 18.832 14.332 -5.183 1.00 0.00 N ATOM 1059 CA SER A 69 18.520 14.906 -3.880 1.00 0.00 C ATOM 1060 C SER A 69 19.555 14.488 -2.840 1.00 0.00 C ATOM 1061 O SER A 69 19.869 13.306 -2.700 1.00 0.00 O ATOM 1062 CB SER A 69 17.123 14.471 -3.429 1.00 0.00 C ATOM 1063 OG SER A 69 16.533 15.447 -2.588 1.00 0.00 O ATOM 0 H SER A 69 18.017 14.027 -5.715 1.00 0.00 H new ATOM 0 HA SER A 69 18.543 15.992 -3.974 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.490 14.307 -4.301 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.188 13.521 -2.899 1.00 0.00 H new ATOM 0 HG SER A 69 15.641 15.147 -2.315 1.00 0.00 H new ATOM 1069 N SER A 70 20.083 15.469 -2.114 1.00 0.00 N ATOM 1070 CA SER A 70 21.087 15.205 -1.089 1.00 0.00 C ATOM 1071 C SER A 70 20.490 15.355 0.308 1.00 0.00 C ATOM 1072 O SER A 70 20.204 16.465 0.756 1.00 0.00 O ATOM 1073 CB SER A 70 22.275 16.153 -1.253 1.00 0.00 C ATOM 1074 OG SER A 70 23.157 15.695 -2.264 1.00 0.00 O ATOM 0 H SER A 70 19.833 16.452 -2.216 1.00 0.00 H new ATOM 0 HA SER A 70 21.432 14.178 -1.209 1.00 0.00 H new ATOM 0 HB2 SER A 70 21.916 17.151 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 70 22.812 16.236 -0.308 1.00 0.00 H new ATOM 0 HG SER A 70 23.907 16.319 -2.351 1.00 0.00 H new ATOM 1080 N GLY A 71 20.304 14.230 0.990 1.00 0.00 N ATOM 1081 CA GLY A 71 19.743 14.258 2.328 1.00 0.00 C ATOM 1082 C GLY A 71 18.325 14.792 2.351 1.00 0.00 C ATOM 1083 O GLY A 71 18.018 15.786 1.692 1.00 0.00 O ATOM 0 H GLY A 71 20.532 13.299 0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.755 13.251 2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.371 14.876 2.969 1.00 0.00 H new TER 1087 GLY A 71