USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 366 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 31:sc= 0.772 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 19:sc= 1 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 39:sc= 0.713 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 86:sc= -0.264 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0109) USER MOD Single : A 26 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.146) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 102:sc= -1.2 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= -2.13 F(o=-3.3!,f=-2.1) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0.0666 K(o=0.067,f=-4.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -32:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -102:sc= 0.176 USER MOD Single : A 55 LYS NZ :NH3+ -163:sc= -0.0481 (180deg=-0.309) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -25.810 13.906 9.500 1.00 0.00 N ATOM 2 CA GLY A 1 -25.198 12.807 10.223 1.00 0.00 C ATOM 3 C GLY A 1 -24.423 13.273 11.440 1.00 0.00 C ATOM 4 O GLY A 1 -24.736 12.890 12.568 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.328 13.535 8.678 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.470 14.409 10.127 1.00 0.00 H new ATOM 0 H3 GLY A 1 -25.071 14.563 9.177 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.972 12.106 10.536 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.528 12.265 9.555 1.00 0.00 H new ATOM 8 N SER A 2 -23.409 14.101 11.213 1.00 0.00 N ATOM 9 CA SER A 2 -22.584 14.615 12.300 1.00 0.00 C ATOM 10 C SER A 2 -21.942 15.944 11.912 1.00 0.00 C ATOM 11 O SER A 2 -21.146 16.011 10.976 1.00 0.00 O ATOM 12 CB SER A 2 -21.500 13.601 12.670 1.00 0.00 C ATOM 13 OG SER A 2 -20.577 13.430 11.608 1.00 0.00 O ATOM 0 H SER A 2 -23.139 14.430 10.286 1.00 0.00 H new ATOM 0 HA SER A 2 -23.227 14.780 13.165 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.973 13.937 13.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.961 12.644 12.913 1.00 0.00 H new ATOM 0 HG SER A 2 -20.501 14.266 11.103 1.00 0.00 H new ATOM 19 N SER A 3 -22.294 16.999 12.640 1.00 0.00 N ATOM 20 CA SER A 3 -21.756 18.327 12.371 1.00 0.00 C ATOM 21 C SER A 3 -21.209 18.960 13.647 1.00 0.00 C ATOM 22 O SER A 3 -21.885 18.997 14.675 1.00 0.00 O ATOM 23 CB SER A 3 -22.836 19.225 11.766 1.00 0.00 C ATOM 24 OG SER A 3 -22.279 20.429 11.268 1.00 0.00 O ATOM 0 H SER A 3 -22.949 16.960 13.421 1.00 0.00 H new ATOM 0 HA SER A 3 -20.938 18.223 11.658 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.344 18.695 10.960 1.00 0.00 H new ATOM 0 HB3 SER A 3 -23.588 19.454 12.521 1.00 0.00 H new ATOM 0 HG SER A 3 -22.990 20.984 10.885 1.00 0.00 H new ATOM 30 N GLY A 4 -19.979 19.458 13.573 1.00 0.00 N ATOM 31 CA GLY A 4 -19.360 20.083 14.728 1.00 0.00 C ATOM 32 C GLY A 4 -18.067 20.792 14.380 1.00 0.00 C ATOM 33 O GLY A 4 -17.017 20.499 14.952 1.00 0.00 O ATOM 0 H GLY A 4 -19.400 19.440 12.734 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.056 20.798 15.167 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.162 19.324 15.485 1.00 0.00 H new ATOM 37 N SER A 5 -18.141 21.727 13.438 1.00 0.00 N ATOM 38 CA SER A 5 -16.965 22.476 13.011 1.00 0.00 C ATOM 39 C SER A 5 -16.552 23.491 14.073 1.00 0.00 C ATOM 40 O SER A 5 -17.278 24.446 14.350 1.00 0.00 O ATOM 41 CB SER A 5 -17.244 23.191 11.687 1.00 0.00 C ATOM 42 OG SER A 5 -16.053 23.729 11.138 1.00 0.00 O ATOM 0 H SER A 5 -19.003 21.984 12.956 1.00 0.00 H new ATOM 0 HA SER A 5 -16.146 21.771 12.870 1.00 0.00 H new ATOM 0 HB2 SER A 5 -17.691 22.492 10.980 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.968 23.990 11.847 1.00 0.00 H new ATOM 0 HG SER A 5 -16.257 24.179 10.292 1.00 0.00 H new ATOM 48 N SER A 6 -15.381 23.276 14.663 1.00 0.00 N ATOM 49 CA SER A 6 -14.872 24.169 15.698 1.00 0.00 C ATOM 50 C SER A 6 -13.418 24.543 15.425 1.00 0.00 C ATOM 51 O SER A 6 -12.543 23.679 15.369 1.00 0.00 O ATOM 52 CB SER A 6 -14.992 23.511 17.074 1.00 0.00 C ATOM 53 OG SER A 6 -14.720 24.440 18.109 1.00 0.00 O ATOM 0 H SER A 6 -14.767 22.492 14.443 1.00 0.00 H new ATOM 0 HA SER A 6 -15.472 25.079 15.686 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.996 23.105 17.200 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.298 22.673 17.142 1.00 0.00 H new ATOM 0 HG SER A 6 -14.805 23.995 18.978 1.00 0.00 H new ATOM 59 N GLY A 7 -13.167 25.838 15.257 1.00 0.00 N ATOM 60 CA GLY A 7 -11.819 26.304 14.992 1.00 0.00 C ATOM 61 C GLY A 7 -11.761 27.285 13.838 1.00 0.00 C ATOM 62 O GLY A 7 -11.612 26.887 12.683 1.00 0.00 O ATOM 0 H GLY A 7 -13.874 26.572 15.300 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.419 26.778 15.888 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.179 25.450 14.771 1.00 0.00 H new ATOM 66 N SER A 8 -11.880 28.572 14.151 1.00 0.00 N ATOM 67 CA SER A 8 -11.846 29.613 13.130 1.00 0.00 C ATOM 68 C SER A 8 -10.534 29.569 12.354 1.00 0.00 C ATOM 69 O SER A 8 -9.452 29.562 12.941 1.00 0.00 O ATOM 70 CB SER A 8 -12.028 30.990 13.770 1.00 0.00 C ATOM 71 OG SER A 8 -12.303 31.976 12.790 1.00 0.00 O ATOM 0 H SER A 8 -12.001 28.918 15.103 1.00 0.00 H new ATOM 0 HA SER A 8 -12.665 29.433 12.434 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.843 30.954 14.492 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.127 31.261 14.320 1.00 0.00 H new ATOM 0 HG SER A 8 -12.417 32.847 13.225 1.00 0.00 H new ATOM 77 N SER A 9 -10.638 29.541 11.029 1.00 0.00 N ATOM 78 CA SER A 9 -9.460 29.495 10.170 1.00 0.00 C ATOM 79 C SER A 9 -9.526 30.578 9.099 1.00 0.00 C ATOM 80 O SER A 9 -10.376 30.537 8.209 1.00 0.00 O ATOM 81 CB SER A 9 -9.336 28.119 9.513 1.00 0.00 C ATOM 82 OG SER A 9 -10.348 27.924 8.541 1.00 0.00 O ATOM 0 H SER A 9 -11.526 29.549 10.527 1.00 0.00 H new ATOM 0 HA SER A 9 -8.582 29.675 10.790 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.356 28.023 9.046 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.404 27.342 10.274 1.00 0.00 H new ATOM 0 HG SER A 9 -10.721 28.791 8.279 1.00 0.00 H new ATOM 88 N SER A 10 -8.622 31.549 9.191 1.00 0.00 N ATOM 89 CA SER A 10 -8.579 32.647 8.232 1.00 0.00 C ATOM 90 C SER A 10 -7.958 32.193 6.914 1.00 0.00 C ATOM 91 O SER A 10 -6.817 31.732 6.879 1.00 0.00 O ATOM 92 CB SER A 10 -7.784 33.821 8.806 1.00 0.00 C ATOM 93 OG SER A 10 -8.112 35.031 8.144 1.00 0.00 O ATOM 0 H SER A 10 -7.910 31.597 9.920 1.00 0.00 H new ATOM 0 HA SER A 10 -9.602 32.970 8.039 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.991 33.918 9.872 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.716 33.625 8.705 1.00 0.00 H new ATOM 0 HG SER A 10 -7.592 35.766 8.530 1.00 0.00 H new ATOM 99 N SER A 11 -8.718 32.327 5.832 1.00 0.00 N ATOM 100 CA SER A 11 -8.246 31.927 4.512 1.00 0.00 C ATOM 101 C SER A 11 -8.976 32.699 3.417 1.00 0.00 C ATOM 102 O SER A 11 -10.060 33.240 3.641 1.00 0.00 O ATOM 103 CB SER A 11 -8.442 30.424 4.310 1.00 0.00 C ATOM 104 OG SER A 11 -9.819 30.091 4.264 1.00 0.00 O ATOM 0 H SER A 11 -9.663 32.710 5.844 1.00 0.00 H new ATOM 0 HA SER A 11 -7.183 32.158 4.448 1.00 0.00 H new ATOM 0 HB2 SER A 11 -7.958 30.112 3.384 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.960 29.879 5.121 1.00 0.00 H new ATOM 0 HG SER A 11 -9.918 29.125 4.132 1.00 0.00 H new ATOM 110 N CYS A 12 -8.376 32.745 2.233 1.00 0.00 N ATOM 111 CA CYS A 12 -8.968 33.451 1.102 1.00 0.00 C ATOM 112 C CYS A 12 -10.091 32.630 0.477 1.00 0.00 C ATOM 113 O CYS A 12 -9.862 31.538 -0.044 1.00 0.00 O ATOM 114 CB CYS A 12 -7.900 33.760 0.052 1.00 0.00 C ATOM 115 SG CYS A 12 -6.996 35.298 0.348 1.00 0.00 S ATOM 0 H CYS A 12 -7.480 32.302 2.031 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.388 34.388 1.469 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -7.189 32.934 0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.374 33.813 -0.928 1.00 0.00 H new ATOM 0 HG CYS A 12 -6.114 35.471 -0.591 1.00 0.00 H new ATOM 121 N THR A 13 -11.308 33.162 0.533 1.00 0.00 N ATOM 122 CA THR A 13 -12.468 32.479 -0.025 1.00 0.00 C ATOM 123 C THR A 13 -12.353 32.347 -1.539 1.00 0.00 C ATOM 124 O THR A 13 -12.430 33.337 -2.266 1.00 0.00 O ATOM 125 CB THR A 13 -13.775 33.220 0.317 1.00 0.00 C ATOM 126 OG1 THR A 13 -13.721 34.561 -0.181 1.00 0.00 O ATOM 127 CG2 THR A 13 -14.008 33.240 1.820 1.00 0.00 C ATOM 0 H THR A 13 -11.516 34.065 0.960 1.00 0.00 H new ATOM 0 HA THR A 13 -12.495 31.485 0.422 1.00 0.00 H new ATOM 0 HB THR A 13 -14.602 32.690 -0.155 1.00 0.00 H new ATOM 0 HG1 THR A 13 -13.277 34.568 -1.055 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.936 33.768 2.037 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.077 32.217 2.191 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.178 33.749 2.310 1.00 0.00 H new ATOM 135 N VAL A 14 -12.167 31.117 -2.008 1.00 0.00 N ATOM 136 CA VAL A 14 -12.043 30.855 -3.437 1.00 0.00 C ATOM 137 C VAL A 14 -13.332 30.269 -4.003 1.00 0.00 C ATOM 138 O VAL A 14 -13.918 29.354 -3.423 1.00 0.00 O ATOM 139 CB VAL A 14 -10.880 29.889 -3.732 1.00 0.00 C ATOM 140 CG1 VAL A 14 -11.105 28.555 -3.037 1.00 0.00 C ATOM 141 CG2 VAL A 14 -10.714 29.698 -5.232 1.00 0.00 C ATOM 0 H VAL A 14 -12.099 30.287 -1.419 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.841 31.812 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.960 30.324 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.273 27.885 -3.257 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.170 28.712 -1.960 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.033 28.110 -3.395 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.888 29.013 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.632 29.285 -5.650 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.503 30.659 -5.700 1.00 0.00 H new ATOM 151 N THR A 15 -13.769 30.801 -5.140 1.00 0.00 N ATOM 152 CA THR A 15 -14.989 30.331 -5.784 1.00 0.00 C ATOM 153 C THR A 15 -14.679 29.616 -7.094 1.00 0.00 C ATOM 154 O THR A 15 -14.264 30.240 -8.072 1.00 0.00 O ATOM 155 CB THR A 15 -15.960 31.494 -6.064 1.00 0.00 C ATOM 156 OG1 THR A 15 -16.264 32.183 -4.846 1.00 0.00 O ATOM 157 CG2 THR A 15 -17.245 30.985 -6.700 1.00 0.00 C ATOM 0 H THR A 15 -13.296 31.558 -5.634 1.00 0.00 H new ATOM 0 HA THR A 15 -15.461 29.631 -5.094 1.00 0.00 H new ATOM 0 HB THR A 15 -15.478 32.182 -6.759 1.00 0.00 H new ATOM 0 HG1 THR A 15 -16.880 32.922 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 15 -17.915 31.824 -6.888 1.00 0.00 H new ATOM 0 HG22 THR A 15 -17.013 30.488 -7.642 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.729 30.278 -6.026 1.00 0.00 H new ATOM 165 N THR A 16 -14.882 28.302 -7.109 1.00 0.00 N ATOM 166 CA THR A 16 -14.623 27.502 -8.299 1.00 0.00 C ATOM 167 C THR A 16 -15.922 26.983 -8.905 1.00 0.00 C ATOM 168 O THR A 16 -16.877 26.686 -8.189 1.00 0.00 O ATOM 169 CB THR A 16 -13.703 26.308 -7.984 1.00 0.00 C ATOM 170 OG1 THR A 16 -13.391 25.599 -9.188 1.00 0.00 O ATOM 171 CG2 THR A 16 -14.363 25.363 -6.990 1.00 0.00 C ATOM 0 H THR A 16 -15.225 27.770 -6.310 1.00 0.00 H new ATOM 0 HA THR A 16 -14.125 28.154 -9.017 1.00 0.00 H new ATOM 0 HB THR A 16 -12.785 26.693 -7.541 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.614 26.012 -9.619 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.694 24.528 -6.783 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.573 25.898 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 16 -15.295 24.986 -7.410 1.00 0.00 H new ATOM 179 N GLY A 17 -15.949 26.874 -10.230 1.00 0.00 N ATOM 180 CA GLY A 17 -17.136 26.389 -10.910 1.00 0.00 C ATOM 181 C GLY A 17 -16.817 25.737 -12.241 1.00 0.00 C ATOM 182 O GLY A 17 -17.035 24.539 -12.423 1.00 0.00 O ATOM 0 H GLY A 17 -15.170 27.113 -10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.649 25.670 -10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -17.823 27.220 -11.071 1.00 0.00 H new ATOM 186 N THR A 18 -16.299 26.528 -13.176 1.00 0.00 N ATOM 187 CA THR A 18 -15.952 26.022 -14.498 1.00 0.00 C ATOM 188 C THR A 18 -14.774 25.057 -14.425 1.00 0.00 C ATOM 189 O THR A 18 -14.741 24.047 -15.129 1.00 0.00 O ATOM 190 CB THR A 18 -15.602 27.169 -15.464 1.00 0.00 C ATOM 191 OG1 THR A 18 -15.286 26.641 -16.757 1.00 0.00 O ATOM 192 CG2 THR A 18 -14.426 27.979 -14.940 1.00 0.00 C ATOM 0 H THR A 18 -16.111 27.521 -13.042 1.00 0.00 H new ATOM 0 HA THR A 18 -16.828 25.494 -14.875 1.00 0.00 H new ATOM 0 HB THR A 18 -16.468 27.826 -15.542 1.00 0.00 H new ATOM 0 HG1 THR A 18 -15.066 27.377 -17.366 1.00 0.00 H new ATOM 0 HG21 THR A 18 -14.198 28.783 -15.639 1.00 0.00 H new ATOM 0 HG22 THR A 18 -14.681 28.404 -13.969 1.00 0.00 H new ATOM 0 HG23 THR A 18 -13.556 27.331 -14.835 1.00 0.00 H new ATOM 200 N LEU A 19 -13.808 25.373 -13.569 1.00 0.00 N ATOM 201 CA LEU A 19 -12.627 24.533 -13.403 1.00 0.00 C ATOM 202 C LEU A 19 -12.253 24.405 -11.930 1.00 0.00 C ATOM 203 O LEU A 19 -12.060 25.404 -11.239 1.00 0.00 O ATOM 204 CB LEU A 19 -11.451 25.111 -14.192 1.00 0.00 C ATOM 205 CG LEU A 19 -11.310 24.630 -15.637 1.00 0.00 C ATOM 206 CD1 LEU A 19 -10.527 25.639 -16.462 1.00 0.00 C ATOM 207 CD2 LEU A 19 -10.638 23.265 -15.681 1.00 0.00 C ATOM 0 H LEU A 19 -13.820 26.205 -12.979 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.860 23.540 -13.787 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.543 26.197 -14.199 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.530 24.873 -13.660 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.307 24.536 -16.068 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -10.437 25.279 -17.487 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.049 26.596 -16.458 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -9.533 25.766 -16.034 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -10.546 22.938 -16.717 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.647 23.333 -15.232 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.239 22.545 -15.126 1.00 0.00 H new ATOM 219 N GLY A 20 -12.149 23.166 -11.457 1.00 0.00 N ATOM 220 CA GLY A 20 -11.795 22.930 -10.069 1.00 0.00 C ATOM 221 C GLY A 20 -10.312 23.104 -9.811 1.00 0.00 C ATOM 222 O GLY A 20 -9.716 24.100 -10.221 1.00 0.00 O ATOM 0 H GLY A 20 -12.303 22.323 -12.010 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.354 23.616 -9.433 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.093 21.920 -9.788 1.00 0.00 H new ATOM 226 N PHE A 21 -9.714 22.133 -9.129 1.00 0.00 N ATOM 227 CA PHE A 21 -8.291 22.184 -8.814 1.00 0.00 C ATOM 228 C PHE A 21 -7.480 22.619 -10.032 1.00 0.00 C ATOM 229 O PHE A 21 -6.573 23.443 -9.925 1.00 0.00 O ATOM 230 CB PHE A 21 -7.805 20.818 -8.325 1.00 0.00 C ATOM 231 CG PHE A 21 -8.018 20.598 -6.855 1.00 0.00 C ATOM 232 CD1 PHE A 21 -7.462 21.460 -5.924 1.00 0.00 C ATOM 233 CD2 PHE A 21 -8.774 19.527 -6.404 1.00 0.00 C ATOM 234 CE1 PHE A 21 -7.657 21.260 -4.570 1.00 0.00 C ATOM 235 CE2 PHE A 21 -8.972 19.322 -5.051 1.00 0.00 C ATOM 236 CZ PHE A 21 -8.411 20.189 -4.133 1.00 0.00 C ATOM 0 H PHE A 21 -10.193 21.301 -8.784 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.146 22.918 -8.021 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -8.324 20.036 -8.880 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.743 20.717 -8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.869 22.298 -6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.213 18.845 -7.117 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -7.220 21.941 -3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -9.565 18.485 -4.712 1.00 0.00 H new ATOM 0 HZ PHE A 21 -8.562 20.029 -3.076 1.00 0.00 H new ATOM 246 N GLY A 22 -7.814 22.056 -11.189 1.00 0.00 N ATOM 247 CA GLY A 22 -7.107 22.396 -12.411 1.00 0.00 C ATOM 248 C GLY A 22 -6.702 21.172 -13.206 1.00 0.00 C ATOM 249 O GLY A 22 -7.205 20.943 -14.306 1.00 0.00 O ATOM 0 H GLY A 22 -8.561 21.371 -11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.740 23.033 -13.028 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.217 22.975 -12.163 1.00 0.00 H new ATOM 253 N ASP A 23 -5.788 20.383 -12.651 1.00 0.00 N ATOM 254 CA ASP A 23 -5.314 19.175 -13.317 1.00 0.00 C ATOM 255 C ASP A 23 -6.448 18.170 -13.490 1.00 0.00 C ATOM 256 O ASP A 23 -7.010 17.676 -12.513 1.00 0.00 O ATOM 257 CB ASP A 23 -4.173 18.542 -12.519 1.00 0.00 C ATOM 258 CG ASP A 23 -3.131 19.558 -12.094 1.00 0.00 C ATOM 259 OD1 ASP A 23 -2.440 20.105 -12.978 1.00 0.00 O ATOM 260 OD2 ASP A 23 -3.006 19.805 -10.876 1.00 0.00 O ATOM 0 H ASP A 23 -5.361 20.558 -11.742 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.946 19.454 -14.304 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.580 18.052 -11.635 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.697 17.768 -13.122 1.00 0.00 H new ATOM 265 N LYS A 24 -6.781 17.872 -14.742 1.00 0.00 N ATOM 266 CA LYS A 24 -7.848 16.926 -15.045 1.00 0.00 C ATOM 267 C LYS A 24 -7.584 15.577 -14.383 1.00 0.00 C ATOM 268 O LYS A 24 -8.509 14.913 -13.915 1.00 0.00 O ATOM 269 CB LYS A 24 -7.982 16.745 -16.559 1.00 0.00 C ATOM 270 CG LYS A 24 -6.687 16.341 -17.240 1.00 0.00 C ATOM 271 CD LYS A 24 -6.948 15.614 -18.549 1.00 0.00 C ATOM 272 CE LYS A 24 -5.805 14.674 -18.902 1.00 0.00 C ATOM 273 NZ LYS A 24 -4.527 15.408 -19.110 1.00 0.00 N ATOM 0 H LYS A 24 -6.327 18.272 -15.563 1.00 0.00 H new ATOM 0 HA LYS A 24 -8.780 17.329 -14.649 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.740 15.988 -16.760 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.338 17.677 -16.998 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.083 17.228 -17.430 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.110 15.699 -16.575 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.876 15.048 -18.473 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.083 16.341 -19.350 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.678 13.942 -18.105 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.057 14.120 -19.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.789 14.741 -19.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.660 16.135 -19.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.238 15.861 -18.220 1.00 0.00 H new ATOM 287 N PHE A 25 -6.317 15.180 -14.346 1.00 0.00 N ATOM 288 CA PHE A 25 -5.932 13.910 -13.740 1.00 0.00 C ATOM 289 C PHE A 25 -5.228 14.136 -12.405 1.00 0.00 C ATOM 290 O PHE A 25 -4.309 14.950 -12.304 1.00 0.00 O ATOM 291 CB PHE A 25 -5.018 13.126 -14.685 1.00 0.00 C ATOM 292 CG PHE A 25 -3.578 13.546 -14.612 1.00 0.00 C ATOM 293 CD1 PHE A 25 -3.147 14.700 -15.247 1.00 0.00 C ATOM 294 CD2 PHE A 25 -2.656 12.787 -13.910 1.00 0.00 C ATOM 295 CE1 PHE A 25 -1.822 15.090 -15.181 1.00 0.00 C ATOM 296 CE2 PHE A 25 -1.330 13.172 -13.841 1.00 0.00 C ATOM 297 CZ PHE A 25 -0.913 14.324 -14.479 1.00 0.00 C ATOM 0 H PHE A 25 -5.539 15.718 -14.728 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.839 13.332 -13.560 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.091 12.064 -14.450 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -5.373 13.251 -15.708 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.854 15.301 -15.799 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.977 11.884 -13.411 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.499 15.993 -15.678 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -0.621 12.573 -13.289 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.123 14.625 -14.429 1.00 0.00 H new ATOM 307 N LYS A 26 -5.665 13.410 -11.382 1.00 0.00 N ATOM 308 CA LYS A 26 -5.078 13.528 -10.053 1.00 0.00 C ATOM 309 C LYS A 26 -4.275 12.281 -9.699 1.00 0.00 C ATOM 310 O LYS A 26 -4.843 11.230 -9.401 1.00 0.00 O ATOM 311 CB LYS A 26 -6.173 13.757 -9.008 1.00 0.00 C ATOM 312 CG LYS A 26 -5.683 14.471 -7.760 1.00 0.00 C ATOM 313 CD LYS A 26 -5.147 13.490 -6.731 1.00 0.00 C ATOM 314 CE LYS A 26 -6.250 12.989 -5.811 1.00 0.00 C ATOM 315 NZ LYS A 26 -5.701 12.331 -4.593 1.00 0.00 N ATOM 0 H LYS A 26 -6.425 12.733 -11.448 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.403 14.384 -10.056 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.977 14.340 -9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.598 12.795 -8.723 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.901 15.181 -8.029 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.500 15.047 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.684 12.644 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.368 13.971 -6.139 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.885 13.825 -5.517 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.881 12.284 -6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.460 11.814 -4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.950 11.666 -4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.309 13.053 -3.955 1.00 0.00 H new ATOM 329 N ARG A 27 -2.952 12.405 -9.733 1.00 0.00 N ATOM 330 CA ARG A 27 -2.072 11.286 -9.416 1.00 0.00 C ATOM 331 C ARG A 27 -2.333 10.774 -8.003 1.00 0.00 C ATOM 332 O ARG A 27 -2.773 11.510 -7.120 1.00 0.00 O ATOM 333 CB ARG A 27 -0.608 11.707 -9.556 1.00 0.00 C ATOM 334 CG ARG A 27 -0.213 12.075 -10.976 1.00 0.00 C ATOM 335 CD ARG A 27 1.290 11.967 -11.183 1.00 0.00 C ATOM 336 NE ARG A 27 1.703 10.600 -11.490 1.00 0.00 N ATOM 337 CZ ARG A 27 2.816 10.299 -12.148 1.00 0.00 C ATOM 338 NH1 ARG A 27 3.624 11.263 -12.566 1.00 0.00 N ATOM 339 NH2 ARG A 27 3.124 9.031 -12.390 1.00 0.00 N ATOM 0 H ARG A 27 -2.466 13.268 -9.977 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.280 10.480 -10.120 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.420 12.559 -8.903 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.030 10.894 -9.210 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.726 11.419 -11.679 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -0.539 13.092 -11.193 1.00 0.00 H new ATOM 0 HD2 ARG A 27 1.593 12.628 -11.995 1.00 0.00 H new ATOM 0 HD3 ARG A 27 1.805 12.308 -10.285 1.00 0.00 H new ATOM 0 HE ARG A 27 1.103 9.835 -11.182 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.391 12.239 -12.382 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.479 11.029 -13.071 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.505 8.286 -12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.980 8.802 -12.896 1.00 0.00 H new ATOM 353 N PRO A 28 -2.054 9.480 -7.782 1.00 0.00 N ATOM 354 CA PRO A 28 -2.251 8.840 -6.477 1.00 0.00 C ATOM 355 C PRO A 28 -1.255 9.334 -5.433 1.00 0.00 C ATOM 356 O PRO A 28 -1.221 8.833 -4.309 1.00 0.00 O ATOM 357 CB PRO A 28 -2.023 7.355 -6.773 1.00 0.00 C ATOM 358 CG PRO A 28 -1.141 7.339 -7.973 1.00 0.00 C ATOM 359 CD PRO A 28 -1.526 8.543 -8.787 1.00 0.00 C ATOM 0 HA PRO A 28 -3.233 9.060 -6.059 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.552 6.851 -5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.964 6.841 -6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.090 7.382 -7.686 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.277 6.421 -8.545 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.669 8.961 -9.315 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.275 8.297 -9.539 1.00 0.00 H new ATOM 367 N ILE A 29 -0.447 10.318 -5.812 1.00 0.00 N ATOM 368 CA ILE A 29 0.548 10.879 -4.908 1.00 0.00 C ATOM 369 C ILE A 29 1.552 9.819 -4.467 1.00 0.00 C ATOM 370 O ILE A 29 1.849 9.685 -3.281 1.00 0.00 O ATOM 371 CB ILE A 29 -0.110 11.497 -3.660 1.00 0.00 C ATOM 372 CG1 ILE A 29 -1.346 12.307 -4.056 1.00 0.00 C ATOM 373 CG2 ILE A 29 0.886 12.371 -2.913 1.00 0.00 C ATOM 374 CD1 ILE A 29 -2.382 12.406 -2.958 1.00 0.00 C ATOM 0 H ILE A 29 -0.462 10.743 -6.739 1.00 0.00 H new ATOM 0 HA ILE A 29 1.069 11.661 -5.460 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.424 10.691 -2.997 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.035 13.312 -4.343 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.802 11.852 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.406 12.800 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.739 11.767 -2.602 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.229 13.173 -3.567 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.230 12.994 -3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.721 11.406 -2.687 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.942 12.889 -2.085 1.00 0.00 H new ATOM 386 N GLY A 30 2.073 9.068 -5.433 1.00 0.00 N ATOM 387 CA GLY A 30 3.039 8.030 -5.125 1.00 0.00 C ATOM 388 C GLY A 30 2.393 6.670 -4.947 1.00 0.00 C ATOM 389 O GLY A 30 2.177 6.220 -3.822 1.00 0.00 O ATOM 0 H GLY A 30 1.843 9.160 -6.423 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.777 7.976 -5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.575 8.296 -4.214 1.00 0.00 H new ATOM 393 N SER A 31 2.081 6.015 -6.061 1.00 0.00 N ATOM 394 CA SER A 31 1.450 4.701 -6.024 1.00 0.00 C ATOM 395 C SER A 31 2.443 3.634 -5.573 1.00 0.00 C ATOM 396 O SER A 31 3.650 3.873 -5.527 1.00 0.00 O ATOM 397 CB SER A 31 0.889 4.341 -7.401 1.00 0.00 C ATOM 398 OG SER A 31 1.927 3.982 -8.296 1.00 0.00 O ATOM 0 H SER A 31 2.255 6.373 -7.000 1.00 0.00 H new ATOM 0 HA SER A 31 0.632 4.739 -5.305 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.185 3.515 -7.306 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.334 5.188 -7.804 1.00 0.00 H new ATOM 0 HG SER A 31 1.543 3.755 -9.168 1.00 0.00 H new ATOM 404 N TRP A 32 1.926 2.456 -5.241 1.00 0.00 N ATOM 405 CA TRP A 32 2.767 1.352 -4.793 1.00 0.00 C ATOM 406 C TRP A 32 2.288 0.030 -5.382 1.00 0.00 C ATOM 407 O TRP A 32 1.186 -0.429 -5.084 1.00 0.00 O ATOM 408 CB TRP A 32 2.769 1.272 -3.266 1.00 0.00 C ATOM 409 CG TRP A 32 1.400 1.119 -2.677 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.535 2.121 -2.340 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.739 -0.109 -2.353 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.624 1.590 -1.827 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.524 0.224 -1.825 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.090 -1.457 -2.459 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.433 -0.743 -1.404 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.186 -2.416 -2.041 1.00 0.00 C ATOM 417 CH2 TRP A 32 -1.063 -2.055 -1.520 1.00 0.00 C ATOM 0 H TRP A 32 0.929 2.241 -5.274 1.00 0.00 H new ATOM 0 HA TRP A 32 3.783 1.538 -5.141 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.387 0.430 -2.954 1.00 0.00 H new ATOM 0 HB3 TRP A 32 3.231 2.173 -2.863 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.733 3.176 -2.459 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.428 2.126 -1.501 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.050 -1.745 -2.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.396 -0.467 -1.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.447 -3.461 -2.118 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.748 -2.828 -1.203 1.00 0.00 H new ATOM 428 N GLU A 33 3.123 -0.578 -6.219 1.00 0.00 N ATOM 429 CA GLU A 33 2.783 -1.848 -6.850 1.00 0.00 C ATOM 430 C GLU A 33 2.632 -2.950 -5.806 1.00 0.00 C ATOM 431 O GLU A 33 3.426 -3.048 -4.870 1.00 0.00 O ATOM 432 CB GLU A 33 3.854 -2.239 -7.870 1.00 0.00 C ATOM 433 CG GLU A 33 3.622 -3.600 -8.504 1.00 0.00 C ATOM 434 CD GLU A 33 4.338 -4.716 -7.768 1.00 0.00 C ATOM 435 OE1 GLU A 33 4.513 -4.599 -6.537 1.00 0.00 O ATOM 436 OE2 GLU A 33 4.723 -5.707 -8.424 1.00 0.00 O ATOM 0 H GLU A 33 4.040 -0.212 -6.476 1.00 0.00 H new ATOM 0 HA GLU A 33 1.830 -1.726 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.890 -1.483 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.828 -2.237 -7.381 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.553 -3.810 -8.523 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.961 -3.577 -9.540 1.00 0.00 H new ATOM 443 N CYS A 34 1.607 -3.780 -5.973 1.00 0.00 N ATOM 444 CA CYS A 34 1.350 -4.875 -5.047 1.00 0.00 C ATOM 445 C CYS A 34 2.215 -6.086 -5.383 1.00 0.00 C ATOM 446 O CYS A 34 2.731 -6.205 -6.495 1.00 0.00 O ATOM 447 CB CYS A 34 -0.129 -5.265 -5.084 1.00 0.00 C ATOM 448 SG CYS A 34 -0.573 -6.607 -3.934 1.00 0.00 S ATOM 0 H CYS A 34 0.941 -3.714 -6.742 1.00 0.00 H new ATOM 0 HA CYS A 34 1.605 -4.536 -4.043 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.731 -4.387 -4.851 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.388 -5.569 -6.098 1.00 0.00 H new ATOM 453 N SER A 35 2.370 -6.984 -4.414 1.00 0.00 N ATOM 454 CA SER A 35 3.175 -8.184 -4.606 1.00 0.00 C ATOM 455 C SER A 35 2.287 -9.406 -4.820 1.00 0.00 C ATOM 456 O SER A 35 2.656 -10.339 -5.532 1.00 0.00 O ATOM 457 CB SER A 35 4.088 -8.409 -3.399 1.00 0.00 C ATOM 458 OG SER A 35 4.826 -9.611 -3.534 1.00 0.00 O ATOM 0 H SER A 35 1.948 -6.902 -3.489 1.00 0.00 H new ATOM 0 HA SER A 35 3.788 -8.042 -5.496 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.773 -7.568 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.490 -8.446 -2.489 1.00 0.00 H new ATOM 0 HG SER A 35 5.403 -9.731 -2.751 1.00 0.00 H new ATOM 464 N VAL A 36 1.112 -9.392 -4.198 1.00 0.00 N ATOM 465 CA VAL A 36 0.169 -10.497 -4.321 1.00 0.00 C ATOM 466 C VAL A 36 -0.491 -10.507 -5.695 1.00 0.00 C ATOM 467 O VAL A 36 -0.354 -11.467 -6.455 1.00 0.00 O ATOM 468 CB VAL A 36 -0.925 -10.424 -3.239 1.00 0.00 C ATOM 469 CG1 VAL A 36 -2.114 -11.292 -3.622 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.365 -10.838 -1.886 1.00 0.00 C ATOM 0 H VAL A 36 0.791 -8.628 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 36 0.740 -11.416 -4.189 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.269 -9.392 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.876 -11.228 -2.846 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.529 -10.944 -4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.790 -12.327 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.152 -10.780 -1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.008 -11.861 -1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.451 -10.170 -1.610 1.00 0.00 H new ATOM 480 N CYS A 37 -1.206 -9.433 -6.010 1.00 0.00 N ATOM 481 CA CYS A 37 -1.888 -9.316 -7.293 1.00 0.00 C ATOM 482 C CYS A 37 -1.167 -8.326 -8.204 1.00 0.00 C ATOM 483 O CYS A 37 -1.278 -8.400 -9.428 1.00 0.00 O ATOM 484 CB CYS A 37 -3.338 -8.873 -7.086 1.00 0.00 C ATOM 485 SG CYS A 37 -3.510 -7.216 -6.348 1.00 0.00 S ATOM 0 H CYS A 37 -1.328 -8.630 -5.393 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.880 -10.296 -7.771 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.852 -8.886 -8.047 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.841 -9.598 -6.446 1.00 0.00 H new ATOM 490 N CYS A 38 -0.430 -7.403 -7.598 1.00 0.00 N ATOM 491 CA CYS A 38 0.309 -6.398 -8.354 1.00 0.00 C ATOM 492 C CYS A 38 -0.644 -5.439 -9.060 1.00 0.00 C ATOM 493 O CYS A 38 -0.489 -5.155 -10.248 1.00 0.00 O ATOM 494 CB CYS A 38 1.226 -7.070 -9.376 1.00 0.00 C ATOM 495 SG CYS A 38 2.377 -5.940 -10.192 1.00 0.00 S ATOM 0 H CYS A 38 -0.328 -7.329 -6.586 1.00 0.00 H new ATOM 0 HA CYS A 38 0.917 -5.826 -7.653 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.796 -7.854 -8.877 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.612 -7.556 -10.134 1.00 0.00 H new ATOM 0 HG CYS A 38 3.558 -6.066 -9.663 1.00 0.00 H new ATOM 501 N VAL A 39 -1.632 -4.944 -8.322 1.00 0.00 N ATOM 502 CA VAL A 39 -2.612 -4.018 -8.877 1.00 0.00 C ATOM 503 C VAL A 39 -2.416 -2.612 -8.320 1.00 0.00 C ATOM 504 O VAL A 39 -2.065 -2.439 -7.153 1.00 0.00 O ATOM 505 CB VAL A 39 -4.051 -4.479 -8.582 1.00 0.00 C ATOM 506 CG1 VAL A 39 -5.055 -3.461 -9.099 1.00 0.00 C ATOM 507 CG2 VAL A 39 -4.307 -5.849 -9.192 1.00 0.00 C ATOM 0 H VAL A 39 -1.775 -5.169 -7.337 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.458 -4.004 -9.956 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.174 -4.558 -7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.066 -3.804 -8.881 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.885 -2.502 -8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.935 -3.346 -10.176 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.329 -6.159 -8.974 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.166 -5.799 -10.272 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.610 -6.572 -8.768 1.00 0.00 H new ATOM 517 N SER A 40 -2.646 -1.610 -9.163 1.00 0.00 N ATOM 518 CA SER A 40 -2.492 -0.218 -8.756 1.00 0.00 C ATOM 519 C SER A 40 -3.275 0.064 -7.477 1.00 0.00 C ATOM 520 O SER A 40 -4.407 -0.390 -7.317 1.00 0.00 O ATOM 521 CB SER A 40 -2.962 0.716 -9.872 1.00 0.00 C ATOM 522 OG SER A 40 -2.179 0.549 -11.041 1.00 0.00 O ATOM 0 H SER A 40 -2.940 -1.736 -10.132 1.00 0.00 H new ATOM 0 HA SER A 40 -1.435 -0.037 -8.561 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.009 0.517 -10.100 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.901 1.751 -9.534 1.00 0.00 H new ATOM 0 HG SER A 40 -2.501 1.156 -11.740 1.00 0.00 H new ATOM 528 N ASN A 41 -2.662 0.817 -6.570 1.00 0.00 N ATOM 529 CA ASN A 41 -3.301 1.160 -5.304 1.00 0.00 C ATOM 530 C ASN A 41 -3.112 2.639 -4.983 1.00 0.00 C ATOM 531 O ASN A 41 -2.375 3.345 -5.670 1.00 0.00 O ATOM 532 CB ASN A 41 -2.729 0.304 -4.172 1.00 0.00 C ATOM 533 CG ASN A 41 -2.325 -1.080 -4.642 1.00 0.00 C ATOM 534 OD1 ASN A 41 -3.299 -1.856 -5.104 1.00 0.00 O flip ATOM 535 ND2 ASN A 41 -1.151 -1.447 -4.589 1.00 0.00 N flip ATOM 0 H ASN A 41 -1.724 1.201 -6.687 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.368 0.960 -5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.862 0.806 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.471 0.213 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -0.436 -0.817 -4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.894 -2.381 -4.908 1.00 0.00 H new ATOM 542 N ASN A 42 -3.784 3.102 -3.934 1.00 0.00 N ATOM 543 CA ASN A 42 -3.690 4.498 -3.521 1.00 0.00 C ATOM 544 C ASN A 42 -2.712 4.658 -2.362 1.00 0.00 C ATOM 545 O ASN A 42 -2.906 4.086 -1.289 1.00 0.00 O ATOM 546 CB ASN A 42 -5.068 5.025 -3.117 1.00 0.00 C ATOM 547 CG ASN A 42 -6.178 4.475 -3.992 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.163 4.644 -5.211 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.147 3.813 -3.371 1.00 0.00 N ATOM 0 H ASN A 42 -4.399 2.531 -3.354 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.320 5.077 -4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.264 4.761 -2.078 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.069 6.113 -3.175 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.921 3.420 -3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.118 3.698 -2.358 1.00 0.00 H new ATOM 556 N ALA A 43 -1.660 5.439 -2.585 1.00 0.00 N ATOM 557 CA ALA A 43 -0.653 5.677 -1.559 1.00 0.00 C ATOM 558 C ALA A 43 -1.294 5.812 -0.182 1.00 0.00 C ATOM 559 O ALA A 43 -0.723 5.386 0.822 1.00 0.00 O ATOM 560 CB ALA A 43 0.156 6.922 -1.891 1.00 0.00 C ATOM 0 H ALA A 43 -1.483 5.918 -3.468 1.00 0.00 H new ATOM 0 HA ALA A 43 0.017 4.818 -1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.904 7.087 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.653 6.788 -2.852 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.509 7.784 -1.943 1.00 0.00 H new ATOM 566 N GLU A 44 -2.481 6.408 -0.142 1.00 0.00 N ATOM 567 CA GLU A 44 -3.198 6.600 1.113 1.00 0.00 C ATOM 568 C GLU A 44 -3.554 5.258 1.747 1.00 0.00 C ATOM 569 O GLU A 44 -3.324 5.041 2.936 1.00 0.00 O ATOM 570 CB GLU A 44 -4.468 7.421 0.881 1.00 0.00 C ATOM 571 CG GLU A 44 -4.201 8.819 0.349 1.00 0.00 C ATOM 572 CD GLU A 44 -3.721 8.814 -1.089 1.00 0.00 C ATOM 573 OE1 GLU A 44 -4.401 8.204 -1.940 1.00 0.00 O ATOM 574 OE2 GLU A 44 -2.665 9.422 -1.364 1.00 0.00 O ATOM 0 H GLU A 44 -2.967 6.766 -0.964 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.544 7.143 1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.110 6.890 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.018 7.497 1.819 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.113 9.412 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.454 9.306 0.976 1.00 0.00 H new ATOM 581 N ASP A 45 -4.118 4.363 0.943 1.00 0.00 N ATOM 582 CA ASP A 45 -4.507 3.042 1.424 1.00 0.00 C ATOM 583 C ASP A 45 -3.293 2.268 1.927 1.00 0.00 C ATOM 584 O ASP A 45 -2.349 2.020 1.179 1.00 0.00 O ATOM 585 CB ASP A 45 -5.204 2.256 0.312 1.00 0.00 C ATOM 586 CG ASP A 45 -6.695 2.525 0.259 1.00 0.00 C ATOM 587 OD1 ASP A 45 -7.084 3.711 0.265 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.473 1.549 0.214 1.00 0.00 O ATOM 0 H ASP A 45 -4.316 4.528 -0.044 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.201 3.174 2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.757 2.516 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.035 1.190 0.464 1.00 0.00 H new ATOM 593 N ASN A 46 -3.325 1.890 3.201 1.00 0.00 N ATOM 594 CA ASN A 46 -2.226 1.145 3.806 1.00 0.00 C ATOM 595 C ASN A 46 -2.330 -0.341 3.475 1.00 0.00 C ATOM 596 O ASN A 46 -1.679 -1.175 4.105 1.00 0.00 O ATOM 597 CB ASN A 46 -2.222 1.343 5.323 1.00 0.00 C ATOM 598 CG ASN A 46 -3.483 0.813 5.978 1.00 0.00 C ATOM 599 OD1 ASN A 46 -4.538 0.734 5.348 1.00 0.00 O ATOM 600 ND2 ASN A 46 -3.379 0.447 7.250 1.00 0.00 N ATOM 0 H ASN A 46 -4.100 2.087 3.834 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.291 1.526 3.395 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.355 0.840 5.750 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.117 2.404 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.194 0.083 7.744 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.484 0.530 7.733 1.00 0.00 H new ATOM 607 N LYS A 47 -3.151 -0.665 2.482 1.00 0.00 N ATOM 608 CA LYS A 47 -3.339 -2.049 2.066 1.00 0.00 C ATOM 609 C LYS A 47 -3.895 -2.119 0.647 1.00 0.00 C ATOM 610 O LYS A 47 -4.233 -1.096 0.050 1.00 0.00 O ATOM 611 CB LYS A 47 -4.283 -2.770 3.031 1.00 0.00 C ATOM 612 CG LYS A 47 -3.572 -3.420 4.205 1.00 0.00 C ATOM 613 CD LYS A 47 -4.438 -4.481 4.864 1.00 0.00 C ATOM 614 CE LYS A 47 -3.907 -4.860 6.238 1.00 0.00 C ATOM 615 NZ LYS A 47 -4.504 -6.131 6.732 1.00 0.00 N ATOM 0 H LYS A 47 -3.697 0.013 1.950 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.367 -2.542 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.015 -2.057 3.410 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.835 -3.534 2.483 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.640 -3.871 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.307 -2.658 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.460 -4.112 4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.475 -5.367 4.230 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.823 -4.962 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.123 -4.059 6.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.117 -6.355 7.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.537 -6.026 6.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.277 -6.901 6.071 1.00 0.00 H new ATOM 629 N CYS A 48 -3.990 -3.332 0.113 1.00 0.00 N ATOM 630 CA CYS A 48 -4.506 -3.536 -1.236 1.00 0.00 C ATOM 631 C CYS A 48 -6.030 -3.612 -1.229 1.00 0.00 C ATOM 632 O CYS A 48 -6.651 -3.749 -0.175 1.00 0.00 O ATOM 633 CB CYS A 48 -3.923 -4.816 -1.839 1.00 0.00 C ATOM 634 SG CYS A 48 -3.748 -4.771 -3.651 1.00 0.00 S ATOM 0 H CYS A 48 -3.716 -4.189 0.594 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.205 -2.685 -1.847 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.945 -5.002 -1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.561 -5.657 -1.567 1.00 0.00 H new ATOM 639 N VAL A 49 -6.627 -3.523 -2.413 1.00 0.00 N ATOM 640 CA VAL A 49 -8.077 -3.583 -2.545 1.00 0.00 C ATOM 641 C VAL A 49 -8.506 -4.799 -3.359 1.00 0.00 C ATOM 642 O VAL A 49 -9.603 -5.325 -3.177 1.00 0.00 O ATOM 643 CB VAL A 49 -8.633 -2.311 -3.212 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.292 -1.081 -2.384 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.098 -2.175 -4.629 1.00 0.00 C ATOM 0 H VAL A 49 -6.128 -3.409 -3.295 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.483 -3.663 -1.537 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.719 -2.394 -3.265 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.693 -0.192 -2.871 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.729 -1.179 -1.390 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.209 -0.990 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.501 -1.271 -5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.010 -2.114 -4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.399 -3.043 -5.216 1.00 0.00 H new ATOM 655 N SER A 50 -7.631 -5.241 -4.257 1.00 0.00 N ATOM 656 CA SER A 50 -7.920 -6.393 -5.103 1.00 0.00 C ATOM 657 C SER A 50 -7.705 -7.696 -4.337 1.00 0.00 C ATOM 658 O SER A 50 -8.489 -8.637 -4.458 1.00 0.00 O ATOM 659 CB SER A 50 -7.036 -6.371 -6.351 1.00 0.00 C ATOM 660 OG SER A 50 -7.586 -7.175 -7.380 1.00 0.00 O ATOM 0 H SER A 50 -6.716 -4.819 -4.417 1.00 0.00 H new ATOM 0 HA SER A 50 -8.965 -6.337 -5.406 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.927 -5.346 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.038 -6.729 -6.100 1.00 0.00 H new ATOM 0 HG SER A 50 -8.072 -7.928 -6.983 1.00 0.00 H new ATOM 666 N CYS A 51 -6.636 -7.742 -3.549 1.00 0.00 N ATOM 667 CA CYS A 51 -6.315 -8.927 -2.764 1.00 0.00 C ATOM 668 C CYS A 51 -6.389 -8.626 -1.270 1.00 0.00 C ATOM 669 O CYS A 51 -6.492 -9.536 -0.447 1.00 0.00 O ATOM 670 CB CYS A 51 -4.919 -9.440 -3.123 1.00 0.00 C ATOM 671 SG CYS A 51 -3.569 -8.310 -2.656 1.00 0.00 S ATOM 0 H CYS A 51 -5.977 -6.971 -3.437 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.049 -9.697 -2.999 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.760 -10.401 -2.634 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.874 -9.618 -4.197 1.00 0.00 H new ATOM 676 N MET A 52 -6.337 -7.343 -0.927 1.00 0.00 N ATOM 677 CA MET A 52 -6.401 -6.922 0.468 1.00 0.00 C ATOM 678 C MET A 52 -5.187 -7.424 1.243 1.00 0.00 C ATOM 679 O MET A 52 -5.320 -7.967 2.340 1.00 0.00 O ATOM 680 CB MET A 52 -7.685 -7.436 1.120 1.00 0.00 C ATOM 681 CG MET A 52 -8.952 -6.947 0.437 1.00 0.00 C ATOM 682 SD MET A 52 -9.542 -5.380 1.106 1.00 0.00 S ATOM 683 CE MET A 52 -11.007 -5.918 1.985 1.00 0.00 C ATOM 0 H MET A 52 -6.251 -6.577 -1.595 1.00 0.00 H new ATOM 0 HA MET A 52 -6.401 -5.832 0.493 1.00 0.00 H new ATOM 0 HB2 MET A 52 -7.675 -8.526 1.112 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.702 -7.125 2.165 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.764 -6.834 -0.631 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.732 -7.700 0.545 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.485 -5.059 2.455 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.702 -6.382 1.285 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.727 -6.641 2.751 1.00 0.00 H new ATOM 693 N SER A 53 -4.004 -7.240 0.665 1.00 0.00 N ATOM 694 CA SER A 53 -2.766 -7.679 1.301 1.00 0.00 C ATOM 695 C SER A 53 -2.093 -6.523 2.034 1.00 0.00 C ATOM 696 O SER A 53 -2.427 -5.359 1.818 1.00 0.00 O ATOM 697 CB SER A 53 -1.811 -8.261 0.257 1.00 0.00 C ATOM 698 OG SER A 53 -1.199 -7.234 -0.503 1.00 0.00 O ATOM 0 H SER A 53 -3.876 -6.790 -0.242 1.00 0.00 H new ATOM 0 HA SER A 53 -3.014 -8.452 2.028 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.045 -8.857 0.753 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.357 -8.932 -0.406 1.00 0.00 H new ATOM 0 HG SER A 53 -1.639 -7.166 -1.376 1.00 0.00 H new ATOM 704 N GLU A 54 -1.143 -6.855 2.903 1.00 0.00 N ATOM 705 CA GLU A 54 -0.424 -5.845 3.670 1.00 0.00 C ATOM 706 C GLU A 54 0.515 -5.046 2.770 1.00 0.00 C ATOM 707 O GLU A 54 1.198 -5.606 1.913 1.00 0.00 O ATOM 708 CB GLU A 54 0.372 -6.502 4.800 1.00 0.00 C ATOM 709 CG GLU A 54 -0.501 -7.155 5.859 1.00 0.00 C ATOM 710 CD GLU A 54 0.296 -8.009 6.826 1.00 0.00 C ATOM 711 OE1 GLU A 54 1.285 -8.634 6.388 1.00 0.00 O ATOM 712 OE2 GLU A 54 -0.069 -8.053 8.019 1.00 0.00 O ATOM 0 H GLU A 54 -0.854 -7.815 3.093 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.156 -5.162 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.037 -7.254 4.375 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.003 -5.750 5.274 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.031 -6.382 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.256 -7.772 5.372 1.00 0.00 H new ATOM 719 N LYS A 55 0.543 -3.733 2.972 1.00 0.00 N ATOM 720 CA LYS A 55 1.397 -2.855 2.182 1.00 0.00 C ATOM 721 C LYS A 55 2.800 -2.780 2.776 1.00 0.00 C ATOM 722 O LYS A 55 2.981 -2.632 3.984 1.00 0.00 O ATOM 723 CB LYS A 55 0.789 -1.452 2.105 1.00 0.00 C ATOM 724 CG LYS A 55 1.676 -0.443 1.397 1.00 0.00 C ATOM 725 CD LYS A 55 1.056 0.944 1.401 1.00 0.00 C ATOM 726 CE LYS A 55 2.035 1.994 0.898 1.00 0.00 C ATOM 727 NZ LYS A 55 3.210 2.135 1.801 1.00 0.00 N ATOM 0 H LYS A 55 -0.017 -3.253 3.677 1.00 0.00 H new ATOM 0 HA LYS A 55 1.469 -3.269 1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.168 -1.508 1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.585 -1.098 3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.650 -0.408 1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.845 -0.764 0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.164 0.947 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.736 1.198 2.412 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.376 1.724 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.526 2.954 0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.698 3.031 1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.890 2.131 2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.864 1.342 1.646 1.00 0.00 H new ATOM 741 N PRO A 56 3.817 -2.885 1.908 1.00 0.00 N ATOM 742 CA PRO A 56 5.221 -2.831 2.324 1.00 0.00 C ATOM 743 C PRO A 56 5.634 -1.439 2.791 1.00 0.00 C ATOM 744 O PRO A 56 5.220 -0.433 2.217 1.00 0.00 O ATOM 745 CB PRO A 56 5.983 -3.216 1.054 1.00 0.00 C ATOM 746 CG PRO A 56 5.070 -2.845 -0.063 1.00 0.00 C ATOM 747 CD PRO A 56 3.675 -3.064 0.453 1.00 0.00 C ATOM 0 HA PRO A 56 5.420 -3.486 3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.931 -2.683 0.984 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.215 -4.281 1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.218 -1.807 -0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.261 -3.458 -0.944 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.972 -2.348 0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.306 -4.059 0.205 1.00 0.00 H new ATOM 755 N GLY A 57 6.453 -1.389 3.837 1.00 0.00 N ATOM 756 CA GLY A 57 6.908 -0.115 4.363 1.00 0.00 C ATOM 757 C GLY A 57 6.413 0.140 5.773 1.00 0.00 C ATOM 758 O GLY A 57 5.387 0.798 5.937 1.00 0.00 O ATOM 0 H GLY A 57 6.810 -2.208 4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.998 -0.090 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.565 0.688 3.710 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.854 -6.868 -4.228 1.00 0.00 ZN