USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 753 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 69 TYR OH : rot 29:sc= -2.72! USER MOD Set 1.2: A 95 ASN : amide:sc= 0.518 K(o=-2.2,f=-7.3!) USER MOD Set 2.1: A 21 CYS SG : rot -115:sc= 1.39 USER MOD Set 2.2: A 24 CYS SG : rot 112:sc= 2.4 USER MOD Set 2.3: A 45 CYS SG : rot -123:sc= -2.83! USER MOD Set 2.4: A 51 HIS : no HD1:sc= -0.307 K(o=0.82,f=-0.027) USER MOD Set 2.5: A 53 HIS : no HD1:sc= 0.165 K(o=0.82,f=-6.9!) USER MOD Set 3.1: A 46 CYS SG : rot 180:sc= -1.8! USER MOD Set 3.2: A 49 SER OG : rot 69:sc= -0.128 USER MOD Set 4.1: A 1 MET CE :methyl 180:sc= -0.0585 (180deg=0) USER MOD Set 4.2: A 84 MET CE :methyl -108:sc= -0.736 (180deg=-0.429) USER MOD Single : A 1 MET N :NH3+ -177:sc= 1.26 (180deg=1.2) USER MOD Single : A 2 THR OG1 : rot 134:sc= 1.23 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 1.26 (180deg=1.15) USER MOD Single : A 29 SER OG : rot 180:sc= -0.342 USER MOD Single : A 33 HIS : no HE2:sc= -0.677! C(o=-0.68!,f=-6.8!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 123:sc= -1.54! USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -67:sc= 1.24 USER MOD Single : A 79 TYR OH : rot -42:sc= 0.569 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -113:sc= -0.552 (180deg=-2.46) USER MOD Single : A 92 THR OG1 : rot 93:sc= 1.23 USER MOD Single : A 94 HIS : no HD1:sc= -0.0171 X(o=-0.017,f=-0.0011) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.598 0.165 -1.174 1.00 0.00 N ATOM 2 CA MET A 1 0.881 0.130 -1.247 1.00 0.00 C ATOM 3 C MET A 1 1.370 -1.276 -1.559 1.00 0.00 C ATOM 4 O MET A 1 2.116 -1.479 -2.514 1.00 0.00 O ATOM 5 CB MET A 1 1.491 0.623 0.066 1.00 0.00 C ATOM 6 CG MET A 1 2.999 0.792 0.011 1.00 0.00 C ATOM 7 SD MET A 1 3.679 1.461 1.540 1.00 0.00 S ATOM 8 CE MET A 1 5.405 1.600 1.089 1.00 0.00 C ATOM 0 H1 MET A 1 -0.914 1.142 -1.011 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.998 -0.184 -2.068 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.921 -0.439 -0.391 1.00 0.00 H new ATOM 0 HA MET A 1 1.200 0.793 -2.052 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.036 1.577 0.332 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.242 -0.081 0.860 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.461 -0.173 -0.196 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.257 1.453 -0.816 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.970 2.001 1.930 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.793 0.616 0.828 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.505 2.268 0.233 1.00 0.00 H new ATOM 20 N THR A 2 0.939 -2.244 -0.760 1.00 0.00 N ATOM 21 CA THR A 2 1.307 -3.637 -0.972 1.00 0.00 C ATOM 22 C THR A 2 0.202 -4.544 -0.438 1.00 0.00 C ATOM 23 O THR A 2 -0.442 -4.209 0.557 1.00 0.00 O ATOM 24 CB THR A 2 2.645 -3.975 -0.270 1.00 0.00 C ATOM 25 OG1 THR A 2 3.672 -3.071 -0.704 1.00 0.00 O ATOM 26 CG2 THR A 2 3.082 -5.404 -0.562 1.00 0.00 C ATOM 0 H THR A 2 0.331 -2.088 0.044 1.00 0.00 H new ATOM 0 HA THR A 2 1.434 -3.799 -2.042 1.00 0.00 H new ATOM 0 HB THR A 2 2.488 -3.873 0.804 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.169 -2.742 0.074 1.00 0.00 H new ATOM 0 HG21 THR A 2 4.025 -5.607 -0.054 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.320 -6.097 -0.205 1.00 0.00 H new ATOM 0 HG23 THR A 2 3.214 -5.532 -1.636 1.00 0.00 H new ATOM 34 N MET A 3 -0.038 -5.664 -1.115 1.00 0.00 N ATOM 35 CA MET A 3 -1.028 -6.637 -0.661 1.00 0.00 C ATOM 36 C MET A 3 -0.660 -7.157 0.723 1.00 0.00 C ATOM 37 O MET A 3 0.421 -7.714 0.920 1.00 0.00 O ATOM 38 CB MET A 3 -1.131 -7.810 -1.641 1.00 0.00 C ATOM 39 CG MET A 3 -1.560 -7.406 -3.042 1.00 0.00 C ATOM 40 SD MET A 3 -1.671 -8.812 -4.167 1.00 0.00 S ATOM 41 CE MET A 3 -2.023 -7.978 -5.712 1.00 0.00 C ATOM 0 H MET A 3 0.439 -5.920 -1.979 1.00 0.00 H new ATOM 0 HA MET A 3 -1.995 -6.137 -0.613 1.00 0.00 H new ATOM 0 HB2 MET A 3 -0.164 -8.309 -1.698 1.00 0.00 H new ATOM 0 HB3 MET A 3 -1.843 -8.537 -1.249 1.00 0.00 H new ATOM 0 HG2 MET A 3 -2.528 -6.908 -2.992 1.00 0.00 H new ATOM 0 HG3 MET A 3 -0.850 -6.682 -3.441 1.00 0.00 H new ATOM 0 HE1 MET A 3 -2.120 -8.715 -6.509 1.00 0.00 H new ATOM 0 HE2 MET A 3 -2.954 -7.418 -5.620 1.00 0.00 H new ATOM 0 HE3 MET A 3 -1.209 -7.292 -5.949 1.00 0.00 H new ATOM 51 N GLY A 4 -1.550 -6.953 1.680 1.00 0.00 N ATOM 52 CA GLY A 4 -1.285 -7.374 3.038 1.00 0.00 C ATOM 53 C GLY A 4 -1.376 -8.877 3.219 1.00 0.00 C ATOM 54 O GLY A 4 -2.393 -9.487 2.890 1.00 0.00 O ATOM 0 H GLY A 4 -2.454 -6.502 1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.290 -7.038 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.995 -6.889 3.708 1.00 0.00 H new ATOM 58 N CYS A 5 -0.304 -9.470 3.732 1.00 0.00 N ATOM 59 CA CYS A 5 -0.279 -10.896 4.050 1.00 0.00 C ATOM 60 C CYS A 5 -1.278 -11.215 5.166 1.00 0.00 C ATOM 61 O CYS A 5 -1.777 -10.309 5.833 1.00 0.00 O ATOM 62 CB CYS A 5 1.132 -11.312 4.474 1.00 0.00 C ATOM 63 SG CYS A 5 1.762 -10.390 5.916 1.00 0.00 S ATOM 0 H CYS A 5 0.567 -8.982 3.939 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.564 -11.456 3.160 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.134 -12.377 4.705 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.812 -11.167 3.635 1.00 0.00 H new ATOM 68 N ARG A 6 -1.554 -12.502 5.381 1.00 0.00 N ATOM 69 CA ARG A 6 -2.527 -12.938 6.393 1.00 0.00 C ATOM 70 C ARG A 6 -2.221 -12.377 7.789 1.00 0.00 C ATOM 71 O ARG A 6 -3.111 -12.286 8.632 1.00 0.00 O ATOM 72 CB ARG A 6 -2.620 -14.475 6.449 1.00 0.00 C ATOM 73 CG ARG A 6 -1.378 -15.189 6.979 1.00 0.00 C ATOM 74 CD ARG A 6 -0.226 -15.174 5.984 1.00 0.00 C ATOM 75 NE ARG A 6 -0.592 -15.771 4.701 1.00 0.00 N ATOM 76 CZ ARG A 6 0.163 -15.703 3.602 1.00 0.00 C ATOM 77 NH1 ARG A 6 1.364 -15.138 3.648 1.00 0.00 N ATOM 78 NH2 ARG A 6 -0.272 -16.229 2.463 1.00 0.00 N ATOM 0 H ARG A 6 -1.117 -13.267 4.867 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.491 -12.534 6.083 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.470 -14.748 7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.831 -14.846 5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.058 -14.714 7.907 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.632 -16.221 7.220 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.099 -14.146 5.824 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.622 -15.715 6.405 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.479 -16.271 4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 6 1.713 -14.754 4.526 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.937 -15.089 2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -1.184 -16.685 2.427 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.305 -16.177 1.624 1.00 0.00 H new ATOM 92 N HIS A 7 -0.970 -11.988 8.025 1.00 0.00 N ATOM 93 CA HIS A 7 -0.577 -11.392 9.304 1.00 0.00 C ATOM 94 C HIS A 7 -1.326 -10.084 9.564 1.00 0.00 C ATOM 95 O HIS A 7 -1.590 -9.730 10.711 1.00 0.00 O ATOM 96 CB HIS A 7 0.931 -11.126 9.338 1.00 0.00 C ATOM 97 CG HIS A 7 1.771 -12.359 9.453 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.707 -12.683 8.499 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.797 -13.286 10.438 1.00 0.00 C ATOM 100 CE1 HIS A 7 3.276 -13.795 8.930 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.759 -14.194 10.098 1.00 0.00 N ATOM 0 H HIS A 7 -0.210 -12.074 7.350 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.837 -12.106 10.086 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.214 -10.591 8.432 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.153 -10.469 10.179 1.00 0.00 H new ATOM 0 HD2 HIS A 7 1.177 -13.304 11.322 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.062 -14.317 8.404 1.00 0.00 H new ATOM 0 HE2 HIS A 7 3.031 -15.019 10.632 1.00 0.00 H new ATOM 109 N VAL A 8 -1.672 -9.376 8.492 1.00 0.00 N ATOM 110 CA VAL A 8 -2.345 -8.083 8.605 1.00 0.00 C ATOM 111 C VAL A 8 -3.744 -8.261 9.162 1.00 0.00 C ATOM 112 O VAL A 8 -4.276 -7.384 9.838 1.00 0.00 O ATOM 113 CB VAL A 8 -2.441 -7.366 7.245 1.00 0.00 C ATOM 114 CG1 VAL A 8 -2.938 -5.936 7.406 1.00 0.00 C ATOM 115 CG2 VAL A 8 -1.106 -7.397 6.543 1.00 0.00 C ATOM 0 H VAL A 8 -1.497 -9.676 7.533 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.747 -7.472 9.281 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.169 -7.897 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.994 -5.458 6.428 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.927 -5.944 7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.249 -5.381 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.188 -6.887 5.583 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.360 -6.895 7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.805 -8.432 6.380 1.00 0.00 H new ATOM 125 N ALA A 9 -4.332 -9.412 8.888 1.00 0.00 N ATOM 126 CA ALA A 9 -5.694 -9.676 9.300 1.00 0.00 C ATOM 127 C ALA A 9 -5.811 -9.765 10.822 1.00 0.00 C ATOM 128 O ALA A 9 -6.914 -9.749 11.371 1.00 0.00 O ATOM 129 CB ALA A 9 -6.203 -10.956 8.657 1.00 0.00 C ATOM 0 H ALA A 9 -3.886 -10.177 8.382 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.310 -8.841 8.965 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.229 -11.141 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.174 -10.855 7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.572 -11.791 8.961 1.00 0.00 H new ATOM 135 N GLY A 10 -4.671 -9.854 11.499 1.00 0.00 N ATOM 136 CA GLY A 10 -4.674 -9.998 12.940 1.00 0.00 C ATOM 137 C GLY A 10 -4.087 -8.797 13.656 1.00 0.00 C ATOM 138 O GLY A 10 -3.892 -8.832 14.871 1.00 0.00 O ATOM 0 H GLY A 10 -3.745 -9.829 11.073 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.697 -10.154 13.282 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.108 -10.889 13.212 1.00 0.00 H new ATOM 142 N ILE A 11 -3.792 -7.735 12.916 1.00 0.00 N ATOM 143 CA ILE A 11 -3.261 -6.523 13.528 1.00 0.00 C ATOM 144 C ILE A 11 -4.361 -5.480 13.690 1.00 0.00 C ATOM 145 O ILE A 11 -5.286 -5.405 12.880 1.00 0.00 O ATOM 146 CB ILE A 11 -2.083 -5.914 12.732 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.527 -5.479 11.335 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.939 -6.913 12.644 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.461 -4.731 10.562 1.00 0.00 C ATOM 0 H ILE A 11 -3.909 -7.687 11.904 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.878 -6.814 14.506 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.735 -5.027 13.261 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.824 -6.361 10.767 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.410 -4.846 11.425 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.115 -6.474 12.082 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.599 -7.166 13.648 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.282 -7.816 12.139 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.849 -4.455 9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.180 -3.830 11.108 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.585 -5.369 10.440 1.00 0.00 H new ATOM 161 N ARG A 12 -4.263 -4.686 14.743 1.00 0.00 N ATOM 162 CA ARG A 12 -5.273 -3.680 15.036 1.00 0.00 C ATOM 163 C ARG A 12 -4.623 -2.342 15.368 1.00 0.00 C ATOM 164 O ARG A 12 -3.404 -2.188 15.266 1.00 0.00 O ATOM 165 CB ARG A 12 -6.141 -4.125 16.212 1.00 0.00 C ATOM 166 CG ARG A 12 -5.347 -4.364 17.483 1.00 0.00 C ATOM 167 CD ARG A 12 -6.125 -3.944 18.715 1.00 0.00 C ATOM 168 NE ARG A 12 -7.346 -4.722 18.903 1.00 0.00 N ATOM 169 CZ ARG A 12 -7.894 -4.944 20.094 1.00 0.00 C ATOM 170 NH1 ARG A 12 -7.361 -4.394 21.180 1.00 0.00 N ATOM 171 NH2 ARG A 12 -8.987 -5.687 20.197 1.00 0.00 N ATOM 0 H ARG A 12 -3.493 -4.718 15.411 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.896 -3.562 14.149 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.900 -3.366 16.403 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.666 -5.041 15.942 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.089 -5.420 17.558 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.410 -3.809 17.437 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.491 -4.053 19.595 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.381 -2.887 18.635 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.802 -5.115 18.079 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.534 -3.803 21.099 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.779 -4.563 22.095 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.410 -6.090 19.361 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.405 -5.855 21.112 1.00 0.00 H new ATOM 185 N THR A 13 -5.444 -1.375 15.751 1.00 0.00 N ATOM 186 CA THR A 13 -4.956 -0.097 16.235 1.00 0.00 C ATOM 187 C THR A 13 -4.686 -0.181 17.734 1.00 0.00 C ATOM 188 O THR A 13 -5.575 -0.507 18.523 1.00 0.00 O ATOM 189 CB THR A 13 -5.961 1.031 15.930 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.247 1.047 14.524 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.410 2.386 16.353 1.00 0.00 C ATOM 0 H THR A 13 -6.461 -1.455 15.734 1.00 0.00 H new ATOM 0 HA THR A 13 -4.026 0.137 15.718 1.00 0.00 H new ATOM 0 HB THR A 13 -6.874 0.841 16.495 1.00 0.00 H new ATOM 0 HG1 THR A 13 -6.887 1.763 14.329 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.140 3.163 16.126 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.209 2.379 17.424 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.485 2.588 15.812 1.00 0.00 H new ATOM 199 N VAL A 14 -3.450 0.095 18.117 1.00 0.00 N ATOM 200 CA VAL A 14 -3.016 -0.098 19.490 1.00 0.00 C ATOM 201 C VAL A 14 -2.625 1.221 20.143 1.00 0.00 C ATOM 202 O VAL A 14 -2.802 2.290 19.562 1.00 0.00 O ATOM 203 CB VAL A 14 -1.822 -1.071 19.551 1.00 0.00 C ATOM 204 CG1 VAL A 14 -2.240 -2.453 19.078 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.660 -0.549 18.717 1.00 0.00 C ATOM 0 H VAL A 14 -2.727 0.455 17.493 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.858 -0.521 20.038 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.492 -1.145 20.587 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -1.386 -3.128 19.127 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -3.038 -2.830 19.717 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.597 -2.393 18.050 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.172 -1.250 18.774 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.976 -0.443 17.679 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.344 0.421 19.101 1.00 0.00 H new ATOM 215 N THR A 15 -2.109 1.136 21.359 1.00 0.00 N ATOM 216 CA THR A 15 -1.646 2.307 22.080 1.00 0.00 C ATOM 217 C THR A 15 -0.187 2.128 22.497 1.00 0.00 C ATOM 218 O THR A 15 0.175 1.110 23.091 1.00 0.00 O ATOM 219 CB THR A 15 -2.520 2.564 23.322 1.00 0.00 C ATOM 220 OG1 THR A 15 -3.900 2.591 22.933 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.157 3.880 23.997 1.00 0.00 C ATOM 0 H THR A 15 -2.001 0.259 21.869 1.00 0.00 H new ATOM 0 HA THR A 15 -1.724 3.169 21.417 1.00 0.00 H new ATOM 0 HB THR A 15 -2.344 1.759 24.035 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.459 2.753 23.722 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.793 4.029 24.869 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.113 3.853 24.310 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.304 4.701 23.296 1.00 0.00 H new ATOM 229 N PRO A 16 0.670 3.103 22.160 1.00 0.00 N ATOM 230 CA PRO A 16 2.100 3.065 22.495 1.00 0.00 C ATOM 231 C PRO A 16 2.345 3.075 24.000 1.00 0.00 C ATOM 232 O PRO A 16 1.580 3.669 24.765 1.00 0.00 O ATOM 233 CB PRO A 16 2.660 4.341 21.857 1.00 0.00 C ATOM 234 CG PRO A 16 1.637 4.753 20.856 1.00 0.00 C ATOM 235 CD PRO A 16 0.319 4.320 21.416 1.00 0.00 C ATOM 0 HA PRO A 16 2.572 2.152 22.133 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.817 5.119 22.604 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.624 4.155 21.383 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.659 5.831 20.696 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.824 4.284 19.890 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.115 5.081 22.065 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.409 4.119 20.630 1.00 0.00 H new ATOM 243 N SER A 17 3.413 2.415 24.421 1.00 0.00 N ATOM 244 CA SER A 17 3.746 2.327 25.833 1.00 0.00 C ATOM 245 C SER A 17 4.440 3.604 26.305 1.00 0.00 C ATOM 246 O SER A 17 4.299 4.009 27.461 1.00 0.00 O ATOM 247 CB SER A 17 4.634 1.107 26.087 1.00 0.00 C ATOM 248 OG SER A 17 4.754 0.836 27.473 1.00 0.00 O ATOM 0 H SER A 17 4.065 1.932 23.803 1.00 0.00 H new ATOM 0 HA SER A 17 2.823 2.214 26.402 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.215 0.238 25.579 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.622 1.279 25.661 1.00 0.00 H new ATOM 0 HG SER A 17 5.325 0.051 27.605 1.00 0.00 H new ATOM 254 N ALA A 18 5.178 4.245 25.407 1.00 0.00 N ATOM 255 CA ALA A 18 5.886 5.471 25.740 1.00 0.00 C ATOM 256 C ALA A 18 5.813 6.465 24.589 1.00 0.00 C ATOM 257 O ALA A 18 5.079 6.254 23.627 1.00 0.00 O ATOM 258 CB ALA A 18 7.334 5.165 26.086 1.00 0.00 C ATOM 0 H ALA A 18 5.301 3.935 24.443 1.00 0.00 H new ATOM 0 HA ALA A 18 5.406 5.920 26.609 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.853 6.091 26.333 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.369 4.490 26.941 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.820 4.694 25.232 1.00 0.00 H new ATOM 264 N LEU A 19 6.578 7.546 24.697 1.00 0.00 N ATOM 265 CA LEU A 19 6.615 8.581 23.664 1.00 0.00 C ATOM 266 C LEU A 19 7.713 8.281 22.654 1.00 0.00 C ATOM 267 O LEU A 19 8.021 9.089 21.781 1.00 0.00 O ATOM 268 CB LEU A 19 6.873 9.941 24.305 1.00 0.00 C ATOM 269 CG LEU A 19 5.934 10.308 25.449 1.00 0.00 C ATOM 270 CD1 LEU A 19 6.437 11.557 26.142 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.515 10.509 24.938 1.00 0.00 C ATOM 0 H LEU A 19 7.186 7.731 25.495 1.00 0.00 H new ATOM 0 HA LEU A 19 5.654 8.596 23.150 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.898 9.961 24.676 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.798 10.708 23.534 1.00 0.00 H new ATOM 0 HG LEU A 19 5.916 9.489 26.168 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.763 11.816 26.959 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.436 11.376 26.539 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.474 12.379 25.428 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.862 10.770 25.771 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.504 11.313 24.202 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.161 9.588 24.475 1.00 0.00 H new ATOM 283 N GLY A 20 8.304 7.115 22.800 1.00 0.00 N ATOM 284 CA GLY A 20 9.378 6.697 21.934 1.00 0.00 C ATOM 285 C GLY A 20 9.860 5.314 22.297 1.00 0.00 C ATOM 286 O GLY A 20 9.113 4.541 22.894 1.00 0.00 O ATOM 0 H GLY A 20 8.054 6.436 23.519 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.039 6.707 20.898 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.204 7.404 22.006 1.00 0.00 H new ATOM 290 N CYS A 21 11.101 5.002 21.953 1.00 0.00 N ATOM 291 CA CYS A 21 11.672 3.704 22.280 1.00 0.00 C ATOM 292 C CYS A 21 11.898 3.598 23.784 1.00 0.00 C ATOM 293 O CYS A 21 12.808 4.226 24.330 1.00 0.00 O ATOM 294 CB CYS A 21 12.986 3.491 21.526 1.00 0.00 C ATOM 295 SG CYS A 21 13.728 1.859 21.768 1.00 0.00 S ATOM 0 H CYS A 21 11.730 5.628 21.449 1.00 0.00 H new ATOM 0 HA CYS A 21 10.972 2.926 21.974 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.809 3.642 20.461 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.700 4.252 21.842 1.00 0.00 H new ATOM 0 HG CYS A 21 14.864 1.986 22.387 1.00 0.00 H new ATOM 301 N GLU A 22 11.063 2.800 24.435 1.00 0.00 N ATOM 302 CA GLU A 22 11.069 2.657 25.885 1.00 0.00 C ATOM 303 C GLU A 22 12.446 2.242 26.392 1.00 0.00 C ATOM 304 O GLU A 22 12.919 2.741 27.415 1.00 0.00 O ATOM 305 CB GLU A 22 10.019 1.624 26.327 1.00 0.00 C ATOM 306 CG GLU A 22 8.606 1.901 25.817 1.00 0.00 C ATOM 307 CD GLU A 22 8.323 1.295 24.449 1.00 0.00 C ATOM 308 OE1 GLU A 22 9.262 1.172 23.639 1.00 0.00 O ATOM 309 OE2 GLU A 22 7.156 0.933 24.185 1.00 0.00 O ATOM 0 H GLU A 22 10.357 2.230 23.969 1.00 0.00 H new ATOM 0 HA GLU A 22 10.821 3.627 26.316 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.330 0.638 25.982 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.998 1.588 27.416 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.886 1.509 26.535 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.451 2.979 25.767 1.00 0.00 H new ATOM 316 N GLU A 23 13.093 1.348 25.656 1.00 0.00 N ATOM 317 CA GLU A 23 14.405 0.847 26.042 1.00 0.00 C ATOM 318 C GLU A 23 15.445 1.966 26.008 1.00 0.00 C ATOM 319 O GLU A 23 16.260 2.095 26.912 1.00 0.00 O ATOM 320 CB GLU A 23 14.831 -0.291 25.117 1.00 0.00 C ATOM 321 CG GLU A 23 15.365 -1.509 25.854 1.00 0.00 C ATOM 322 CD GLU A 23 14.311 -2.180 26.715 1.00 0.00 C ATOM 323 OE1 GLU A 23 13.536 -3.006 26.182 1.00 0.00 O ATOM 324 OE2 GLU A 23 14.244 -1.882 27.922 1.00 0.00 O ATOM 0 H GLU A 23 12.730 0.955 24.788 1.00 0.00 H new ATOM 0 HA GLU A 23 14.338 0.469 27.062 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.978 -0.591 24.508 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.598 0.075 24.434 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.748 -2.228 25.130 1.00 0.00 H new ATOM 0 HG3 GLU A 23 16.205 -1.210 26.481 1.00 0.00 H new ATOM 331 N CYS A 24 15.406 2.788 24.971 1.00 0.00 N ATOM 332 CA CYS A 24 16.346 3.895 24.853 1.00 0.00 C ATOM 333 C CYS A 24 16.075 4.943 25.930 1.00 0.00 C ATOM 334 O CYS A 24 16.999 5.579 26.444 1.00 0.00 O ATOM 335 CB CYS A 24 16.256 4.518 23.462 1.00 0.00 C ATOM 336 SG CYS A 24 16.585 3.351 22.119 1.00 0.00 S ATOM 0 H CYS A 24 14.739 2.712 24.203 1.00 0.00 H new ATOM 0 HA CYS A 24 17.356 3.512 24.996 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.261 4.942 23.327 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.965 5.343 23.397 1.00 0.00 H new ATOM 0 HG CYS A 24 15.491 3.141 21.449 1.00 0.00 H new ATOM 342 N LEU A 25 14.805 5.094 26.289 1.00 0.00 N ATOM 343 CA LEU A 25 14.402 6.048 27.314 1.00 0.00 C ATOM 344 C LEU A 25 14.905 5.629 28.694 1.00 0.00 C ATOM 345 O LEU A 25 15.086 6.471 29.573 1.00 0.00 O ATOM 346 CB LEU A 25 12.877 6.194 27.339 1.00 0.00 C ATOM 347 CG LEU A 25 12.259 6.802 26.078 1.00 0.00 C ATOM 348 CD1 LEU A 25 10.742 6.788 26.167 1.00 0.00 C ATOM 349 CD2 LEU A 25 12.766 8.221 25.869 1.00 0.00 C ATOM 0 H LEU A 25 14.034 4.565 25.882 1.00 0.00 H new ATOM 0 HA LEU A 25 14.851 7.009 27.065 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.437 5.210 27.502 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.601 6.812 28.193 1.00 0.00 H new ATOM 0 HG LEU A 25 12.559 6.198 25.222 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.320 7.224 25.261 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.393 5.761 26.271 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.423 7.369 27.032 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.317 8.639 24.968 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.494 8.835 26.728 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.851 8.208 25.761 1.00 0.00 H new ATOM 361 N LYS A 26 15.161 4.333 28.874 1.00 0.00 N ATOM 362 CA LYS A 26 15.586 3.813 30.172 1.00 0.00 C ATOM 363 C LYS A 26 17.011 4.264 30.488 1.00 0.00 C ATOM 364 O LYS A 26 17.426 4.284 31.646 1.00 0.00 O ATOM 365 CB LYS A 26 15.488 2.277 30.201 1.00 0.00 C ATOM 366 CG LYS A 26 16.754 1.559 29.751 1.00 0.00 C ATOM 367 CD LYS A 26 16.490 0.105 29.390 1.00 0.00 C ATOM 368 CE LYS A 26 15.915 -0.678 30.555 1.00 0.00 C ATOM 369 NZ LYS A 26 15.588 -2.072 30.164 1.00 0.00 N ATOM 0 H LYS A 26 15.082 3.628 28.141 1.00 0.00 H new ATOM 0 HA LYS A 26 14.919 4.213 30.936 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.245 1.959 31.215 1.00 0.00 H new ATOM 0 HB3 LYS A 26 14.661 1.965 29.563 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.176 2.075 28.889 1.00 0.00 H new ATOM 0 HG3 LYS A 26 17.498 1.605 30.546 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.799 0.061 28.548 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.420 -0.362 29.064 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.631 -0.688 31.377 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.016 -0.181 30.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.245 -2.594 30.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 14.850 -2.063 29.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 16.440 -2.537 29.791 1.00 0.00 H new ATOM 383 N ILE A 27 17.753 4.634 29.450 1.00 0.00 N ATOM 384 CA ILE A 27 19.129 5.086 29.616 1.00 0.00 C ATOM 385 C ILE A 27 19.299 6.510 29.099 1.00 0.00 C ATOM 386 O ILE A 27 20.415 7.024 29.017 1.00 0.00 O ATOM 387 CB ILE A 27 20.128 4.150 28.899 1.00 0.00 C ATOM 388 CG1 ILE A 27 19.742 3.972 27.424 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.199 2.804 29.608 1.00 0.00 C ATOM 390 CD1 ILE A 27 20.659 3.039 26.661 1.00 0.00 C ATOM 0 H ILE A 27 17.424 4.630 28.484 1.00 0.00 H new ATOM 0 HA ILE A 27 19.346 5.065 30.684 1.00 0.00 H new ATOM 0 HB ILE A 27 21.117 4.608 28.935 1.00 0.00 H new ATOM 0 HG12 ILE A 27 18.723 3.590 27.368 1.00 0.00 H new ATOM 0 HG13 ILE A 27 19.744 4.947 26.937 1.00 0.00 H new ATOM 0 HG21 ILE A 27 20.907 2.157 29.090 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.528 2.952 30.637 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.213 2.339 29.605 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.323 2.964 25.627 1.00 0.00 H new ATOM 0 HD12 ILE A 27 21.676 3.429 26.684 1.00 0.00 H new ATOM 0 HD13 ILE A 27 20.639 2.051 27.122 1.00 0.00 H new ATOM 402 N GLY A 28 18.179 7.143 28.760 1.00 0.00 N ATOM 403 CA GLY A 28 18.208 8.506 28.262 1.00 0.00 C ATOM 404 C GLY A 28 19.047 8.646 27.009 1.00 0.00 C ATOM 405 O GLY A 28 19.844 9.574 26.886 1.00 0.00 O ATOM 0 H GLY A 28 17.247 6.733 28.822 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.190 8.835 28.053 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.603 9.164 29.036 1.00 0.00 H new ATOM 409 N SER A 29 18.879 7.715 26.086 1.00 0.00 N ATOM 410 CA SER A 29 19.652 7.717 24.858 1.00 0.00 C ATOM 411 C SER A 29 18.757 7.974 23.651 1.00 0.00 C ATOM 412 O SER A 29 17.596 7.556 23.626 1.00 0.00 O ATOM 413 CB SER A 29 20.395 6.391 24.710 1.00 0.00 C ATOM 414 OG SER A 29 21.347 6.235 25.750 1.00 0.00 O ATOM 0 H SER A 29 18.213 6.947 26.165 1.00 0.00 H new ATOM 0 HA SER A 29 20.382 8.525 24.907 1.00 0.00 H new ATOM 0 HB2 SER A 29 19.684 5.565 24.733 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.896 6.354 23.742 1.00 0.00 H new ATOM 0 HG SER A 29 21.813 5.380 25.641 1.00 0.00 H new ATOM 420 N PRO A 30 19.289 8.680 22.644 1.00 0.00 N ATOM 421 CA PRO A 30 18.540 9.033 21.438 1.00 0.00 C ATOM 422 C PRO A 30 18.310 7.841 20.514 1.00 0.00 C ATOM 423 O PRO A 30 18.913 6.779 20.679 1.00 0.00 O ATOM 424 CB PRO A 30 19.439 10.065 20.756 1.00 0.00 C ATOM 425 CG PRO A 30 20.815 9.726 21.207 1.00 0.00 C ATOM 426 CD PRO A 30 20.671 9.197 22.606 1.00 0.00 C ATOM 0 HA PRO A 30 17.541 9.399 21.677 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.353 10.009 19.671 1.00 0.00 H new ATOM 0 HB3 PRO A 30 19.167 11.080 21.045 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.268 8.981 20.553 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.460 10.604 21.186 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.398 8.412 22.814 1.00 0.00 H new ATOM 0 HD3 PRO A 30 20.826 9.980 23.348 1.00 0.00 H new ATOM 434 N TRP A 31 17.433 8.028 19.542 1.00 0.00 N ATOM 435 CA TRP A 31 17.146 7.000 18.556 1.00 0.00 C ATOM 436 C TRP A 31 17.118 7.613 17.165 1.00 0.00 C ATOM 437 O TRP A 31 17.079 8.837 17.023 1.00 0.00 O ATOM 438 CB TRP A 31 15.806 6.316 18.859 1.00 0.00 C ATOM 439 CG TRP A 31 14.642 7.264 18.931 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.006 7.872 17.883 1.00 0.00 C ATOM 441 CD2 TRP A 31 13.968 7.701 20.116 1.00 0.00 C ATOM 442 NE1 TRP A 31 12.988 8.668 18.347 1.00 0.00 N ATOM 443 CE2 TRP A 31 12.943 8.579 19.714 1.00 0.00 C ATOM 444 CE3 TRP A 31 14.136 7.439 21.478 1.00 0.00 C ATOM 445 CZ2 TRP A 31 12.090 9.192 20.628 1.00 0.00 C ATOM 446 CZ3 TRP A 31 13.288 8.047 22.382 1.00 0.00 C ATOM 447 CH2 TRP A 31 12.276 8.915 21.954 1.00 0.00 C ATOM 0 H TRP A 31 16.903 8.890 19.414 1.00 0.00 H new ATOM 0 HA TRP A 31 17.932 6.247 18.600 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.608 5.570 18.089 1.00 0.00 H new ATOM 0 HB3 TRP A 31 15.887 5.783 19.806 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.267 7.744 16.843 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.367 9.233 17.769 1.00 0.00 H new ATOM 0 HE3 TRP A 31 14.915 6.773 21.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 11.309 9.863 20.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 13.407 7.850 23.437 1.00 0.00 H new ATOM 0 HH2 TRP A 31 11.629 9.375 22.686 1.00 0.00 H new ATOM 458 N VAL A 32 17.142 6.768 16.146 1.00 0.00 N ATOM 459 CA VAL A 32 17.045 7.240 14.777 1.00 0.00 C ATOM 460 C VAL A 32 15.581 7.281 14.344 1.00 0.00 C ATOM 461 O VAL A 32 15.035 8.347 14.077 1.00 0.00 O ATOM 462 CB VAL A 32 17.860 6.359 13.805 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.823 6.934 12.399 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.298 6.221 14.286 1.00 0.00 C ATOM 0 H VAL A 32 17.228 5.756 16.242 1.00 0.00 H new ATOM 0 HA VAL A 32 17.466 8.245 14.742 1.00 0.00 H new ATOM 0 HB VAL A 32 17.407 5.368 13.782 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.403 6.298 11.730 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.791 6.979 12.052 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.248 7.938 12.405 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.857 5.597 13.588 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.760 7.207 14.341 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.309 5.760 15.274 1.00 0.00 H new ATOM 474 N HIS A 33 14.945 6.115 14.287 1.00 0.00 N ATOM 475 CA HIS A 33 13.525 6.032 13.957 1.00 0.00 C ATOM 476 C HIS A 33 12.859 4.938 14.783 1.00 0.00 C ATOM 477 O HIS A 33 13.539 4.077 15.346 1.00 0.00 O ATOM 478 CB HIS A 33 13.309 5.784 12.458 1.00 0.00 C ATOM 479 CG HIS A 33 13.752 6.927 11.592 1.00 0.00 C ATOM 480 ND1 HIS A 33 13.144 8.163 11.605 1.00 0.00 N ATOM 481 CD2 HIS A 33 14.766 7.022 10.702 1.00 0.00 C ATOM 482 CE1 HIS A 33 13.764 8.965 10.763 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.755 8.299 10.201 1.00 0.00 N ATOM 0 H HIS A 33 15.390 5.214 14.465 1.00 0.00 H new ATOM 0 HA HIS A 33 13.065 6.990 14.200 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.851 4.885 12.165 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.251 5.591 12.278 1.00 0.00 H new ATOM 0 HD1 HIS A 33 12.339 8.418 12.177 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.457 6.237 10.435 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.505 9.995 10.566 1.00 0.00 H new ATOM 492 N LEU A 34 11.532 4.965 14.841 1.00 0.00 N ATOM 493 CA LEU A 34 10.788 4.091 15.739 1.00 0.00 C ATOM 494 C LEU A 34 9.824 3.187 14.988 1.00 0.00 C ATOM 495 O LEU A 34 9.156 3.613 14.043 1.00 0.00 O ATOM 496 CB LEU A 34 10.004 4.923 16.751 1.00 0.00 C ATOM 497 CG LEU A 34 10.851 5.798 17.670 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.958 6.654 18.551 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.774 4.938 18.518 1.00 0.00 C ATOM 0 H LEU A 34 10.950 5.583 14.276 1.00 0.00 H new ATOM 0 HA LEU A 34 11.517 3.462 16.251 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.307 5.562 16.209 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.407 4.249 17.366 1.00 0.00 H new ATOM 0 HG LEU A 34 11.465 6.457 17.056 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.575 7.273 19.202 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.335 7.293 17.926 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.322 6.010 19.159 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.371 5.577 19.168 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.179 4.256 19.126 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.434 4.363 17.869 1.00 0.00 H new ATOM 511 N ARG A 35 9.755 1.943 15.433 1.00 0.00 N ATOM 512 CA ARG A 35 8.828 0.964 14.896 1.00 0.00 C ATOM 513 C ARG A 35 7.976 0.396 16.025 1.00 0.00 C ATOM 514 O ARG A 35 8.502 -0.167 16.986 1.00 0.00 O ATOM 515 CB ARG A 35 9.589 -0.170 14.207 1.00 0.00 C ATOM 516 CG ARG A 35 10.452 0.282 13.041 1.00 0.00 C ATOM 517 CD ARG A 35 11.211 -0.889 12.440 1.00 0.00 C ATOM 518 NE ARG A 35 11.985 -0.504 11.264 1.00 0.00 N ATOM 519 CZ ARG A 35 12.716 -1.357 10.545 1.00 0.00 C ATOM 520 NH1 ARG A 35 12.739 -2.645 10.865 1.00 0.00 N ATOM 521 NH2 ARG A 35 13.420 -0.923 9.507 1.00 0.00 N ATOM 0 H ARG A 35 10.346 1.583 16.183 1.00 0.00 H new ATOM 0 HA ARG A 35 8.187 1.452 14.162 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.222 -0.668 14.942 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.873 -0.910 13.850 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.826 0.744 12.278 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.157 1.042 13.378 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.880 -1.309 13.191 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.506 -1.674 12.167 1.00 0.00 H new ATOM 0 HE ARG A 35 11.966 0.474 10.975 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.198 -2.983 11.661 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.298 -3.297 10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.403 0.066 9.257 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.978 -1.578 8.959 1.00 0.00 H new ATOM 535 N ILE A 36 6.670 0.561 15.919 1.00 0.00 N ATOM 536 CA ILE A 36 5.750 0.069 16.935 1.00 0.00 C ATOM 537 C ILE A 36 4.927 -1.093 16.382 1.00 0.00 C ATOM 538 O ILE A 36 4.497 -1.059 15.234 1.00 0.00 O ATOM 539 CB ILE A 36 4.809 1.198 17.427 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.839 0.675 18.491 1.00 0.00 C ATOM 541 CG2 ILE A 36 4.044 1.812 16.260 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.883 1.725 19.013 1.00 0.00 C ATOM 0 H ILE A 36 6.218 1.034 15.136 1.00 0.00 H new ATOM 0 HA ILE A 36 6.338 -0.280 17.784 1.00 0.00 H new ATOM 0 HB ILE A 36 5.424 1.976 17.880 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.264 -0.150 18.071 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.412 0.272 19.326 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.390 2.602 16.629 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.750 2.231 15.542 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.445 1.043 15.773 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.228 1.280 19.762 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.449 2.540 19.464 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.282 2.112 18.190 1.00 0.00 H new ATOM 554 N CYS A 37 4.734 -2.136 17.180 1.00 0.00 N ATOM 555 CA CYS A 37 3.911 -3.262 16.746 1.00 0.00 C ATOM 556 C CYS A 37 2.466 -2.834 16.580 1.00 0.00 C ATOM 557 O CYS A 37 1.974 -1.993 17.329 1.00 0.00 O ATOM 558 CB CYS A 37 3.903 -4.399 17.756 1.00 0.00 C ATOM 559 SG CYS A 37 5.501 -5.143 18.163 1.00 0.00 S ATOM 0 H CYS A 37 5.128 -2.228 18.116 1.00 0.00 H new ATOM 0 HA CYS A 37 4.347 -3.599 15.806 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.456 -4.030 18.679 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.250 -5.185 17.377 1.00 0.00 H new ATOM 564 N ARG A 38 1.777 -3.456 15.642 1.00 0.00 N ATOM 565 CA ARG A 38 0.339 -3.276 15.507 1.00 0.00 C ATOM 566 C ARG A 38 -0.392 -4.280 16.401 1.00 0.00 C ATOM 567 O ARG A 38 -1.556 -4.609 16.172 1.00 0.00 O ATOM 568 CB ARG A 38 -0.081 -3.459 14.048 1.00 0.00 C ATOM 569 CG ARG A 38 0.506 -2.422 13.103 1.00 0.00 C ATOM 570 CD ARG A 38 0.106 -1.011 13.505 1.00 0.00 C ATOM 571 NE ARG A 38 -1.335 -0.898 13.720 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.060 0.165 13.385 1.00 0.00 C ATOM 573 NH1 ARG A 38 -1.503 1.197 12.774 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.356 0.190 13.653 1.00 0.00 N ATOM 0 H ARG A 38 2.189 -4.092 14.959 1.00 0.00 H new ATOM 0 HA ARG A 38 0.074 -2.265 15.818 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.221 -4.452 13.715 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.168 -3.419 13.985 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.593 -2.506 13.099 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.167 -2.622 12.086 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.633 -0.729 14.416 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.414 -0.310 12.729 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.816 -1.685 14.155 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.507 1.183 12.555 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.069 2.007 12.522 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.797 -0.605 14.116 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.914 1.004 13.397 1.00 0.00 H new ATOM 588 N THR A 39 0.305 -4.742 17.437 1.00 0.00 N ATOM 589 CA THR A 39 -0.211 -5.784 18.314 1.00 0.00 C ATOM 590 C THR A 39 -0.106 -5.377 19.789 1.00 0.00 C ATOM 591 O THR A 39 -1.106 -5.049 20.421 1.00 0.00 O ATOM 592 CB THR A 39 0.560 -7.101 18.104 1.00 0.00 C ATOM 593 OG1 THR A 39 0.895 -7.254 16.718 1.00 0.00 O ATOM 594 CG2 THR A 39 -0.268 -8.291 18.561 1.00 0.00 C ATOM 0 H THR A 39 1.235 -4.407 17.689 1.00 0.00 H new ATOM 0 HA THR A 39 -1.261 -5.927 18.060 1.00 0.00 H new ATOM 0 HB THR A 39 1.472 -7.062 18.699 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.387 -8.092 16.591 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.297 -9.210 18.403 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.502 -8.186 19.621 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.194 -8.332 17.988 1.00 0.00 H new ATOM 602 N CYS A 40 1.114 -5.382 20.330 1.00 0.00 N ATOM 603 CA CYS A 40 1.315 -5.111 21.758 1.00 0.00 C ATOM 604 C CYS A 40 1.402 -3.610 22.035 1.00 0.00 C ATOM 605 O CYS A 40 1.262 -3.173 23.175 1.00 0.00 O ATOM 606 CB CYS A 40 2.577 -5.820 22.277 1.00 0.00 C ATOM 607 SG CYS A 40 4.147 -5.059 21.742 1.00 0.00 S ATOM 0 H CYS A 40 1.971 -5.568 19.809 1.00 0.00 H new ATOM 0 HA CYS A 40 0.449 -5.504 22.290 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.548 -5.835 23.367 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.559 -6.858 21.943 1.00 0.00 H new ATOM 612 N GLY A 41 1.635 -2.820 20.990 1.00 0.00 N ATOM 613 CA GLY A 41 1.717 -1.377 21.154 1.00 0.00 C ATOM 614 C GLY A 41 3.035 -0.913 21.749 1.00 0.00 C ATOM 615 O GLY A 41 3.159 0.233 22.169 1.00 0.00 O ATOM 0 H GLY A 41 1.768 -3.151 20.035 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.576 -0.900 20.184 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.900 -1.044 21.795 1.00 0.00 H new ATOM 619 N HIS A 42 4.021 -1.796 21.782 1.00 0.00 N ATOM 620 CA HIS A 42 5.327 -1.445 22.323 1.00 0.00 C ATOM 621 C HIS A 42 6.203 -0.900 21.209 1.00 0.00 C ATOM 622 O HIS A 42 6.150 -1.392 20.075 1.00 0.00 O ATOM 623 CB HIS A 42 5.987 -2.664 22.970 1.00 0.00 C ATOM 624 CG HIS A 42 6.981 -2.325 24.037 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.614 -2.067 25.337 1.00 0.00 N ATOM 626 CD2 HIS A 42 8.331 -2.227 24.002 1.00 0.00 C ATOM 627 CE1 HIS A 42 7.690 -1.826 26.058 1.00 0.00 C ATOM 628 NE2 HIS A 42 8.745 -1.917 25.273 1.00 0.00 N ATOM 0 H HIS A 42 3.944 -2.755 21.443 1.00 0.00 H new ATOM 0 HA HIS A 42 5.201 -0.681 23.090 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.212 -3.299 23.399 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.485 -3.248 22.196 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.963 -2.366 23.137 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.705 -1.593 27.113 1.00 0.00 H new ATOM 0 HE2 HIS A 42 9.713 -1.779 25.563 1.00 0.00 H new ATOM 637 N VAL A 43 6.998 0.104 21.530 1.00 0.00 N ATOM 638 CA VAL A 43 7.801 0.793 20.535 1.00 0.00 C ATOM 639 C VAL A 43 9.232 0.242 20.526 1.00 0.00 C ATOM 640 O VAL A 43 9.631 -0.511 21.418 1.00 0.00 O ATOM 641 CB VAL A 43 7.819 2.318 20.814 1.00 0.00 C ATOM 642 CG1 VAL A 43 8.297 3.101 19.600 1.00 0.00 C ATOM 643 CG2 VAL A 43 6.442 2.801 21.249 1.00 0.00 C ATOM 0 H VAL A 43 7.106 0.463 22.479 1.00 0.00 H new ATOM 0 HA VAL A 43 7.354 0.622 19.556 1.00 0.00 H new ATOM 0 HB VAL A 43 8.525 2.496 21.626 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.297 4.166 19.831 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.307 2.786 19.339 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.629 2.912 18.759 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.476 3.874 21.440 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.718 2.596 20.460 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.144 2.280 22.159 1.00 0.00 H new ATOM 653 N GLY A 44 9.986 0.577 19.494 1.00 0.00 N ATOM 654 CA GLY A 44 11.374 0.191 19.433 1.00 0.00 C ATOM 655 C GLY A 44 12.086 0.860 18.286 1.00 0.00 C ATOM 656 O GLY A 44 11.480 1.134 17.256 1.00 0.00 O ATOM 0 H GLY A 44 9.657 1.114 18.692 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.866 0.452 20.370 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.447 -0.891 19.326 1.00 0.00 H new ATOM 660 N CYS A 45 13.365 1.144 18.461 1.00 0.00 N ATOM 661 CA CYS A 45 14.151 1.737 17.395 1.00 0.00 C ATOM 662 C CYS A 45 14.437 0.702 16.313 1.00 0.00 C ATOM 663 O CYS A 45 14.602 -0.487 16.607 1.00 0.00 O ATOM 664 CB CYS A 45 15.451 2.319 17.951 1.00 0.00 C ATOM 665 SG CYS A 45 16.327 1.218 19.085 1.00 0.00 S ATOM 0 H CYS A 45 13.878 0.975 19.326 1.00 0.00 H new ATOM 0 HA CYS A 45 13.580 2.551 16.948 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.111 2.566 17.119 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.227 3.252 18.468 1.00 0.00 H new ATOM 0 HG CYS A 45 16.488 1.813 20.230 1.00 0.00 H new ATOM 671 N CYS A 46 14.477 1.163 15.069 1.00 0.00 N ATOM 672 CA CYS A 46 14.663 0.291 13.916 1.00 0.00 C ATOM 673 C CYS A 46 16.030 -0.388 13.936 1.00 0.00 C ATOM 674 O CYS A 46 16.899 -0.033 14.733 1.00 0.00 O ATOM 675 CB CYS A 46 14.499 1.106 12.630 1.00 0.00 C ATOM 676 SG CYS A 46 15.495 2.616 12.583 1.00 0.00 S ATOM 0 H CYS A 46 14.382 2.150 14.831 1.00 0.00 H new ATOM 0 HA CYS A 46 13.907 -0.493 13.957 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.767 0.480 11.779 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.449 1.372 12.512 1.00 0.00 H new ATOM 0 HG CYS A 46 15.291 3.236 11.458 1.00 0.00 H new ATOM 682 N ASP A 47 16.219 -1.357 13.044 1.00 0.00 N ATOM 683 CA ASP A 47 17.491 -2.068 12.937 1.00 0.00 C ATOM 684 C ASP A 47 18.547 -1.159 12.328 1.00 0.00 C ATOM 685 O ASP A 47 19.744 -1.430 12.415 1.00 0.00 O ATOM 686 CB ASP A 47 17.339 -3.336 12.092 1.00 0.00 C ATOM 687 CG ASP A 47 17.033 -3.045 10.638 1.00 0.00 C ATOM 688 OD1 ASP A 47 16.011 -2.382 10.362 1.00 0.00 O ATOM 689 OD2 ASP A 47 17.795 -3.500 9.763 1.00 0.00 O ATOM 0 H ASP A 47 15.507 -1.669 12.384 1.00 0.00 H new ATOM 0 HA ASP A 47 17.805 -2.360 13.939 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.257 -3.920 12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.541 -3.951 12.509 1.00 0.00 H new ATOM 694 N ASP A 48 18.085 -0.079 11.705 1.00 0.00 N ATOM 695 CA ASP A 48 18.969 0.958 11.189 1.00 0.00 C ATOM 696 C ASP A 48 19.680 1.652 12.348 1.00 0.00 C ATOM 697 O ASP A 48 20.783 2.175 12.200 1.00 0.00 O ATOM 698 CB ASP A 48 18.170 1.972 10.365 1.00 0.00 C ATOM 699 CG ASP A 48 19.045 3.044 9.746 1.00 0.00 C ATOM 700 OD1 ASP A 48 19.767 2.735 8.774 1.00 0.00 O ATOM 701 OD2 ASP A 48 18.998 4.200 10.215 1.00 0.00 O ATOM 0 H ASP A 48 17.094 0.100 11.545 1.00 0.00 H new ATOM 0 HA ASP A 48 19.716 0.501 10.540 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.631 1.448 9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.422 2.443 11.003 1.00 0.00 H new ATOM 706 N SER A 49 19.038 1.631 13.510 1.00 0.00 N ATOM 707 CA SER A 49 19.641 2.139 14.729 1.00 0.00 C ATOM 708 C SER A 49 20.505 1.046 15.356 1.00 0.00 C ATOM 709 O SER A 49 20.127 -0.125 15.340 1.00 0.00 O ATOM 710 CB SER A 49 18.551 2.580 15.709 1.00 0.00 C ATOM 711 OG SER A 49 17.628 3.456 15.082 1.00 0.00 O ATOM 0 H SER A 49 18.094 1.264 13.630 1.00 0.00 H new ATOM 0 HA SER A 49 20.265 3.002 14.495 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.025 1.705 16.092 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.006 3.078 16.565 1.00 0.00 H new ATOM 0 HG SER A 49 17.099 2.958 14.425 1.00 0.00 H new ATOM 717 N PRO A 50 21.673 1.405 15.909 1.00 0.00 N ATOM 718 CA PRO A 50 22.603 0.430 16.501 1.00 0.00 C ATOM 719 C PRO A 50 22.007 -0.308 17.701 1.00 0.00 C ATOM 720 O PRO A 50 22.475 -1.383 18.077 1.00 0.00 O ATOM 721 CB PRO A 50 23.800 1.284 16.936 1.00 0.00 C ATOM 722 CG PRO A 50 23.278 2.677 17.022 1.00 0.00 C ATOM 723 CD PRO A 50 22.195 2.781 15.987 1.00 0.00 C ATOM 0 HA PRO A 50 22.860 -0.356 15.791 1.00 0.00 H new ATOM 0 HB2 PRO A 50 24.192 0.951 17.897 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.616 1.213 16.217 1.00 0.00 H new ATOM 0 HG2 PRO A 50 22.887 2.886 18.018 1.00 0.00 H new ATOM 0 HG3 PRO A 50 24.069 3.402 16.832 1.00 0.00 H new ATOM 0 HD2 PRO A 50 21.421 3.489 16.283 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.586 3.119 15.027 1.00 0.00 H new ATOM 731 N HIS A 51 20.968 0.270 18.293 1.00 0.00 N ATOM 732 CA HIS A 51 20.325 -0.321 19.461 1.00 0.00 C ATOM 733 C HIS A 51 19.457 -1.511 19.046 1.00 0.00 C ATOM 734 O HIS A 51 19.368 -2.503 19.770 1.00 0.00 O ATOM 735 CB HIS A 51 19.476 0.732 20.180 1.00 0.00 C ATOM 736 CG HIS A 51 19.282 0.476 21.647 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.696 1.358 22.620 1.00 0.00 N ATOM 738 CD2 HIS A 51 18.695 -0.551 22.304 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.372 0.886 23.807 1.00 0.00 C ATOM 740 NE2 HIS A 51 18.764 -0.273 23.646 1.00 0.00 N ATOM 0 H HIS A 51 20.552 1.148 17.983 1.00 0.00 H new ATOM 0 HA HIS A 51 21.096 -0.678 20.144 1.00 0.00 H new ATOM 0 HB2 HIS A 51 19.945 1.708 20.053 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.499 0.783 19.700 1.00 0.00 H new ATOM 0 HD2 HIS A 51 18.253 -1.428 21.855 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.571 1.368 24.753 1.00 0.00 H new ATOM 0 HE2 HIS A 51 18.405 -0.865 24.395 1.00 0.00 H new ATOM 749 N LYS A 52 18.828 -1.395 17.872 1.00 0.00 N ATOM 750 CA LYS A 52 17.999 -2.464 17.300 1.00 0.00 C ATOM 751 C LYS A 52 16.981 -3.012 18.300 1.00 0.00 C ATOM 752 O LYS A 52 16.980 -4.207 18.601 1.00 0.00 O ATOM 753 CB LYS A 52 18.870 -3.618 16.797 1.00 0.00 C ATOM 754 CG LYS A 52 19.814 -3.247 15.669 1.00 0.00 C ATOM 755 CD LYS A 52 20.550 -4.472 15.159 1.00 0.00 C ATOM 756 CE LYS A 52 21.405 -4.156 13.946 1.00 0.00 C ATOM 757 NZ LYS A 52 22.057 -5.377 13.406 1.00 0.00 N ATOM 0 H LYS A 52 18.878 -0.558 17.291 1.00 0.00 H new ATOM 0 HA LYS A 52 17.455 -2.017 16.468 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.455 -4.005 17.631 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.221 -4.426 16.460 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.253 -2.789 14.855 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.532 -2.505 16.018 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.180 -4.873 15.953 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.829 -5.248 14.902 1.00 0.00 H new ATOM 0 HE2 LYS A 52 20.787 -3.700 13.173 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.167 -3.425 14.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.634 -5.125 12.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.666 -5.798 14.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.329 -6.064 13.125 1.00 0.00 H new ATOM 771 N HIS A 53 16.109 -2.157 18.811 1.00 0.00 N ATOM 772 CA HIS A 53 15.117 -2.614 19.775 1.00 0.00 C ATOM 773 C HIS A 53 13.983 -3.350 19.077 1.00 0.00 C ATOM 774 O HIS A 53 13.464 -4.332 19.597 1.00 0.00 O ATOM 775 CB HIS A 53 14.553 -1.453 20.598 1.00 0.00 C ATOM 776 CG HIS A 53 13.734 -1.908 21.772 1.00 0.00 C ATOM 777 ND1 HIS A 53 12.450 -1.471 22.027 1.00 0.00 N ATOM 778 CD2 HIS A 53 14.039 -2.765 22.774 1.00 0.00 C ATOM 779 CE1 HIS A 53 12.008 -2.038 23.134 1.00 0.00 C ATOM 780 NE2 HIS A 53 12.952 -2.827 23.608 1.00 0.00 N ATOM 0 H HIS A 53 16.066 -1.164 18.582 1.00 0.00 H new ATOM 0 HA HIS A 53 15.622 -3.300 20.455 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.376 -0.834 20.955 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.937 -0.824 19.955 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.968 -3.302 22.895 1.00 0.00 H new ATOM 0 HE1 HIS A 53 11.036 -1.882 23.577 1.00 0.00 H new ATOM 0 HE2 HIS A 53 12.885 -3.391 24.455 1.00 0.00 H new ATOM 789 N ALA A 54 13.613 -2.877 17.895 1.00 0.00 N ATOM 790 CA ALA A 54 12.481 -3.438 17.167 1.00 0.00 C ATOM 791 C ALA A 54 12.750 -4.874 16.723 1.00 0.00 C ATOM 792 O ALA A 54 11.856 -5.718 16.762 1.00 0.00 O ATOM 793 CB ALA A 54 12.142 -2.566 15.968 1.00 0.00 C ATOM 0 H ALA A 54 14.080 -2.105 17.419 1.00 0.00 H new ATOM 0 HA ALA A 54 11.628 -3.459 17.845 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.295 -2.996 15.433 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.885 -1.563 16.309 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.003 -2.513 15.302 1.00 0.00 H new ATOM 799 N THR A 55 13.982 -5.150 16.318 1.00 0.00 N ATOM 800 CA THR A 55 14.340 -6.467 15.814 1.00 0.00 C ATOM 801 C THR A 55 14.469 -7.483 16.944 1.00 0.00 C ATOM 802 O THR A 55 13.927 -8.589 16.859 1.00 0.00 O ATOM 803 CB THR A 55 15.650 -6.409 15.013 1.00 0.00 C ATOM 804 OG1 THR A 55 16.633 -5.669 15.745 1.00 0.00 O ATOM 805 CG2 THR A 55 15.425 -5.762 13.657 1.00 0.00 C ATOM 0 H THR A 55 14.750 -4.479 16.329 1.00 0.00 H new ATOM 0 HA THR A 55 13.535 -6.790 15.154 1.00 0.00 H new ATOM 0 HB THR A 55 16.004 -7.428 14.855 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.426 -6.227 15.884 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.366 -5.732 13.108 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.694 -6.342 13.094 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.053 -4.747 13.795 1.00 0.00 H new ATOM 813 N ARG A 56 15.174 -7.105 18.007 1.00 0.00 N ATOM 814 CA ARG A 56 15.335 -7.982 19.159 1.00 0.00 C ATOM 815 C ARG A 56 13.988 -8.248 19.818 1.00 0.00 C ATOM 816 O ARG A 56 13.712 -9.364 20.261 1.00 0.00 O ATOM 817 CB ARG A 56 16.308 -7.384 20.176 1.00 0.00 C ATOM 818 CG ARG A 56 17.739 -7.300 19.672 1.00 0.00 C ATOM 819 CD ARG A 56 18.687 -6.845 20.768 1.00 0.00 C ATOM 820 NE ARG A 56 20.067 -6.763 20.295 1.00 0.00 N ATOM 821 CZ ARG A 56 21.134 -7.020 21.052 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.987 -7.406 22.315 1.00 0.00 N ATOM 823 NH2 ARG A 56 22.349 -6.903 20.536 1.00 0.00 N ATOM 0 H ARG A 56 15.640 -6.202 18.093 1.00 0.00 H new ATOM 0 HA ARG A 56 15.749 -8.926 18.805 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.968 -6.385 20.447 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.286 -7.986 21.085 1.00 0.00 H new ATOM 0 HG2 ARG A 56 18.053 -8.275 19.299 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.791 -6.606 18.833 1.00 0.00 H new ATOM 0 HD2 ARG A 56 18.372 -5.870 21.139 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.631 -7.538 21.607 1.00 0.00 H new ATOM 0 HE ARG A 56 20.224 -6.492 19.324 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.053 -7.508 22.712 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.808 -7.601 22.888 1.00 0.00 H new ATOM 0 HH21 ARG A 56 22.465 -6.617 19.564 1.00 0.00 H new ATOM 0 HH22 ARG A 56 23.168 -7.099 21.111 1.00 0.00 H new ATOM 837 N HIS A 57 13.148 -7.220 19.867 1.00 0.00 N ATOM 838 CA HIS A 57 11.804 -7.354 20.411 1.00 0.00 C ATOM 839 C HIS A 57 10.980 -8.324 19.567 1.00 0.00 C ATOM 840 O HIS A 57 10.238 -9.146 20.107 1.00 0.00 O ATOM 841 CB HIS A 57 11.116 -5.982 20.485 1.00 0.00 C ATOM 842 CG HIS A 57 9.672 -6.043 20.875 1.00 0.00 C ATOM 843 ND1 HIS A 57 9.202 -5.831 22.151 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.583 -6.305 20.116 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.870 -5.975 22.127 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.449 -6.263 20.911 1.00 0.00 N ATOM 0 H HIS A 57 13.376 -6.283 19.535 1.00 0.00 H new ATOM 0 HA HIS A 57 11.878 -7.756 21.421 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.649 -5.358 21.203 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.199 -5.493 19.514 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.767 -5.605 22.969 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.596 -6.514 19.057 1.00 0.00 H new ATOM 0 HE1 HIS A 57 7.227 -5.869 22.988 1.00 0.00 H new ATOM 854 N PHE A 58 11.110 -8.222 18.246 1.00 0.00 N ATOM 855 CA PHE A 58 10.406 -9.122 17.337 1.00 0.00 C ATOM 856 C PHE A 58 10.744 -10.576 17.646 1.00 0.00 C ATOM 857 O PHE A 58 9.853 -11.410 17.767 1.00 0.00 O ATOM 858 CB PHE A 58 10.744 -8.795 15.877 1.00 0.00 C ATOM 859 CG PHE A 58 10.408 -9.901 14.909 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.130 -10.430 14.841 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.382 -10.414 14.073 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.834 -11.451 13.957 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.093 -11.432 13.186 1.00 0.00 C ATOM 864 CZ PHE A 58 9.817 -11.952 13.129 1.00 0.00 C ATOM 0 H PHE A 58 11.695 -7.527 17.783 1.00 0.00 H new ATOM 0 HA PHE A 58 9.336 -8.978 17.484 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.207 -7.893 15.583 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.808 -8.571 15.802 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.356 -10.041 15.486 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.384 -10.013 14.114 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.834 -11.856 13.915 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.865 -11.820 12.538 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.588 -12.750 12.438 1.00 0.00 H new ATOM 874 N HIS A 59 12.028 -10.867 17.791 1.00 0.00 N ATOM 875 CA HIS A 59 12.477 -12.226 18.077 1.00 0.00 C ATOM 876 C HIS A 59 12.016 -12.675 19.467 1.00 0.00 C ATOM 877 O HIS A 59 11.756 -13.855 19.692 1.00 0.00 O ATOM 878 CB HIS A 59 14.004 -12.306 17.967 1.00 0.00 C ATOM 879 CG HIS A 59 14.577 -13.647 18.317 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.334 -13.863 19.446 1.00 0.00 N ATOM 881 CD2 HIS A 59 14.505 -14.839 17.680 1.00 0.00 C ATOM 882 CE1 HIS A 59 15.702 -15.130 19.490 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.212 -15.744 18.431 1.00 0.00 N ATOM 0 H HIS A 59 12.780 -10.182 17.716 1.00 0.00 H new ATOM 0 HA HIS A 59 12.032 -12.898 17.343 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.297 -12.053 16.948 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.444 -11.554 18.621 1.00 0.00 H new ATOM 0 HD2 HIS A 59 13.988 -15.040 16.754 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.303 -15.586 20.263 1.00 0.00 H new ATOM 0 HE2 HIS A 59 15.338 -16.731 18.207 1.00 0.00 H new ATOM 892 N ALA A 60 11.903 -11.725 20.383 1.00 0.00 N ATOM 893 CA ALA A 60 11.550 -12.029 21.763 1.00 0.00 C ATOM 894 C ALA A 60 10.058 -12.307 21.928 1.00 0.00 C ATOM 895 O ALA A 60 9.666 -13.184 22.696 1.00 0.00 O ATOM 896 CB ALA A 60 11.971 -10.885 22.672 1.00 0.00 C ATOM 0 H ALA A 60 12.051 -10.733 20.195 1.00 0.00 H new ATOM 0 HA ALA A 60 12.084 -12.937 22.045 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.703 -11.121 23.702 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.049 -10.742 22.601 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.463 -9.971 22.365 1.00 0.00 H new ATOM 902 N THR A 61 9.229 -11.563 21.208 1.00 0.00 N ATOM 903 CA THR A 61 7.784 -11.649 21.391 1.00 0.00 C ATOM 904 C THR A 61 7.090 -12.361 20.234 1.00 0.00 C ATOM 905 O THR A 61 6.062 -13.011 20.423 1.00 0.00 O ATOM 906 CB THR A 61 7.168 -10.251 21.565 1.00 0.00 C ATOM 907 OG1 THR A 61 7.583 -9.393 20.489 1.00 0.00 O ATOM 908 CG2 THR A 61 7.578 -9.643 22.897 1.00 0.00 C ATOM 0 H THR A 61 9.528 -10.897 20.496 1.00 0.00 H new ATOM 0 HA THR A 61 7.626 -12.237 22.295 1.00 0.00 H new ATOM 0 HB THR A 61 6.083 -10.350 21.549 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.546 -9.223 20.559 1.00 0.00 H new ATOM 0 HG21 THR A 61 7.131 -8.654 22.999 1.00 0.00 H new ATOM 0 HG22 THR A 61 7.234 -10.282 23.710 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.664 -9.556 22.938 1.00 0.00 H new ATOM 916 N GLY A 62 7.654 -12.248 19.043 1.00 0.00 N ATOM 917 CA GLY A 62 7.020 -12.816 17.873 1.00 0.00 C ATOM 918 C GLY A 62 6.004 -11.872 17.264 1.00 0.00 C ATOM 919 O GLY A 62 4.890 -12.276 16.934 1.00 0.00 O ATOM 0 H GLY A 62 8.539 -11.773 18.865 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.780 -13.059 17.130 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.529 -13.751 18.144 1.00 0.00 H new ATOM 923 N HIS A 63 6.383 -10.607 17.123 1.00 0.00 N ATOM 924 CA HIS A 63 5.499 -9.603 16.536 1.00 0.00 C ATOM 925 C HIS A 63 6.107 -9.086 15.239 1.00 0.00 C ATOM 926 O HIS A 63 6.919 -8.162 15.249 1.00 0.00 O ATOM 927 CB HIS A 63 5.247 -8.444 17.513 1.00 0.00 C ATOM 928 CG HIS A 63 4.514 -8.852 18.757 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.669 -8.177 19.953 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.643 -9.875 18.936 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.892 -8.812 20.818 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.255 -9.842 20.246 1.00 0.00 N ATOM 0 H HIS A 63 7.296 -10.251 17.407 1.00 0.00 H new ATOM 0 HA HIS A 63 4.537 -10.068 16.323 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.203 -8.003 17.794 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.676 -7.668 17.003 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.318 -10.581 18.187 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.785 -8.534 21.856 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.604 -10.481 20.702 1.00 0.00 H new ATOM 940 N PRO A 64 5.726 -9.695 14.106 1.00 0.00 N ATOM 941 CA PRO A 64 6.382 -9.460 12.816 1.00 0.00 C ATOM 942 C PRO A 64 5.967 -8.164 12.126 1.00 0.00 C ATOM 943 O PRO A 64 6.657 -7.702 11.221 1.00 0.00 O ATOM 944 CB PRO A 64 5.933 -10.661 11.986 1.00 0.00 C ATOM 945 CG PRO A 64 4.590 -11.010 12.527 1.00 0.00 C ATOM 946 CD PRO A 64 4.627 -10.678 13.996 1.00 0.00 C ATOM 0 HA PRO A 64 7.460 -9.357 12.939 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.881 -10.413 10.926 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.629 -11.494 12.085 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.808 -10.445 12.020 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.371 -12.067 12.372 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.680 -10.259 14.336 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.820 -11.563 14.602 1.00 0.00 H new ATOM 954 N ILE A 65 4.844 -7.586 12.528 1.00 0.00 N ATOM 955 CA ILE A 65 4.352 -6.381 11.873 1.00 0.00 C ATOM 956 C ILE A 65 4.544 -5.154 12.745 1.00 0.00 C ATOM 957 O ILE A 65 4.048 -5.084 13.877 1.00 0.00 O ATOM 958 CB ILE A 65 2.869 -6.501 11.461 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.708 -7.591 10.399 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.346 -5.165 10.940 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.293 -7.738 9.885 1.00 0.00 C ATOM 0 H ILE A 65 4.263 -7.926 13.294 1.00 0.00 H new ATOM 0 HA ILE A 65 4.946 -6.266 10.966 1.00 0.00 H new ATOM 0 HB ILE A 65 2.284 -6.776 12.338 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.368 -7.369 9.561 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.034 -8.544 10.817 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.299 -5.270 10.655 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.435 -4.410 11.721 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.930 -4.859 10.072 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.258 -8.529 9.136 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.630 -7.992 10.712 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.970 -6.799 9.436 1.00 0.00 H new ATOM 973 N ILE A 66 5.273 -4.195 12.201 1.00 0.00 N ATOM 974 CA ILE A 66 5.536 -2.941 12.876 1.00 0.00 C ATOM 975 C ILE A 66 5.140 -1.762 11.996 1.00 0.00 C ATOM 976 O ILE A 66 5.087 -1.879 10.771 1.00 0.00 O ATOM 977 CB ILE A 66 7.025 -2.829 13.277 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.947 -3.123 12.086 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.331 -3.775 14.425 1.00 0.00 C ATOM 980 CD1 ILE A 66 8.238 -1.919 11.215 1.00 0.00 C ATOM 0 H ILE A 66 5.699 -4.266 11.277 1.00 0.00 H new ATOM 0 HA ILE A 66 4.933 -2.918 13.783 1.00 0.00 H new ATOM 0 HB ILE A 66 7.211 -1.805 13.600 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.889 -3.523 12.460 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.492 -3.900 11.472 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.382 -3.687 14.698 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.710 -3.518 15.283 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.120 -4.800 14.118 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.896 -2.212 10.397 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.305 -1.530 10.808 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.723 -1.147 11.812 1.00 0.00 H new ATOM 992 N GLU A 67 4.855 -0.641 12.630 1.00 0.00 N ATOM 993 CA GLU A 67 4.499 0.579 11.931 1.00 0.00 C ATOM 994 C GLU A 67 5.475 1.687 12.302 1.00 0.00 C ATOM 995 O GLU A 67 5.972 1.732 13.432 1.00 0.00 O ATOM 996 CB GLU A 67 3.067 0.986 12.294 1.00 0.00 C ATOM 997 CG GLU A 67 2.619 2.305 11.686 1.00 0.00 C ATOM 998 CD GLU A 67 1.171 2.616 11.994 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.876 3.063 13.122 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.316 2.398 11.117 1.00 0.00 O ATOM 0 H GLU A 67 4.864 -0.550 13.646 1.00 0.00 H new ATOM 0 HA GLU A 67 4.553 0.409 10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.385 0.200 11.970 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.985 1.053 13.379 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.250 3.110 12.064 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.759 2.271 10.606 1.00 0.00 H new ATOM 1007 N GLY A 68 5.770 2.555 11.344 1.00 0.00 N ATOM 1008 CA GLY A 68 6.622 3.694 11.614 1.00 0.00 C ATOM 1009 C GLY A 68 5.911 4.722 12.465 1.00 0.00 C ATOM 1010 O GLY A 68 5.008 5.407 11.990 1.00 0.00 O ATOM 0 H GLY A 68 5.433 2.490 10.383 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.527 3.361 12.122 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.933 4.149 10.674 1.00 0.00 H new ATOM 1014 N TYR A 69 6.304 4.822 13.726 1.00 0.00 N ATOM 1015 CA TYR A 69 5.635 5.724 14.651 1.00 0.00 C ATOM 1016 C TYR A 69 6.327 7.082 14.676 1.00 0.00 C ATOM 1017 O TYR A 69 5.669 8.120 14.647 1.00 0.00 O ATOM 1018 CB TYR A 69 5.592 5.119 16.054 1.00 0.00 C ATOM 1019 CG TYR A 69 4.585 5.793 16.957 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.343 6.176 16.466 1.00 0.00 C ATOM 1021 CD2 TYR A 69 4.868 6.041 18.293 1.00 0.00 C ATOM 1022 CE1 TYR A 69 2.413 6.789 17.277 1.00 0.00 C ATOM 1023 CE2 TYR A 69 3.940 6.656 19.113 1.00 0.00 C ATOM 1024 CZ TYR A 69 2.715 7.028 18.598 1.00 0.00 C ATOM 1025 OH TYR A 69 1.785 7.634 19.409 1.00 0.00 O ATOM 0 H TYR A 69 7.077 4.294 14.130 1.00 0.00 H new ATOM 0 HA TYR A 69 4.611 5.868 14.306 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.352 4.058 15.979 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.582 5.191 16.505 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.102 5.990 15.430 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.826 5.750 18.698 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.453 7.080 16.878 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.173 6.844 20.151 1.00 0.00 H new ATOM 0 HH TYR A 69 0.884 7.419 19.090 1.00 0.00 H new ATOM 1035 N ASP A 70 7.655 7.062 14.733 1.00 0.00 N ATOM 1036 CA ASP A 70 8.447 8.291 14.660 1.00 0.00 C ATOM 1037 C ASP A 70 8.203 9.012 13.326 1.00 0.00 C ATOM 1038 O ASP A 70 7.987 10.225 13.310 1.00 0.00 O ATOM 1039 CB ASP A 70 9.936 7.982 14.876 1.00 0.00 C ATOM 1040 CG ASP A 70 10.859 9.075 14.374 1.00 0.00 C ATOM 1041 OD1 ASP A 70 11.177 10.004 15.141 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.286 8.987 13.206 1.00 0.00 O ATOM 0 H ASP A 70 8.208 6.210 14.829 1.00 0.00 H new ATOM 0 HA ASP A 70 8.130 8.963 15.458 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.116 7.825 15.940 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.182 7.048 14.370 1.00 0.00 H new ATOM 1047 N PRO A 71 8.254 8.295 12.179 1.00 0.00 N ATOM 1048 CA PRO A 71 7.748 8.800 10.919 1.00 0.00 C ATOM 1049 C PRO A 71 6.347 8.253 10.629 1.00 0.00 C ATOM 1050 O PRO A 71 6.205 7.174 10.048 1.00 0.00 O ATOM 1051 CB PRO A 71 8.767 8.261 9.911 1.00 0.00 C ATOM 1052 CG PRO A 71 9.380 7.048 10.557 1.00 0.00 C ATOM 1053 CD PRO A 71 8.863 6.975 11.977 1.00 0.00 C ATOM 0 HA PRO A 71 7.645 9.885 10.896 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.285 8.001 8.969 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.526 9.009 9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.115 6.146 10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.468 7.118 10.549 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.136 6.173 12.100 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.667 6.789 12.689 1.00 0.00 H new ATOM 1061 N PRO A 72 5.292 8.981 11.047 1.00 0.00 N ATOM 1062 CA PRO A 72 3.903 8.510 10.944 1.00 0.00 C ATOM 1063 C PRO A 72 3.359 8.569 9.518 1.00 0.00 C ATOM 1064 O PRO A 72 2.307 9.158 9.263 1.00 0.00 O ATOM 1065 CB PRO A 72 3.142 9.478 11.851 1.00 0.00 C ATOM 1066 CG PRO A 72 3.934 10.738 11.809 1.00 0.00 C ATOM 1067 CD PRO A 72 5.372 10.326 11.649 1.00 0.00 C ATOM 0 HA PRO A 72 3.807 7.462 11.230 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.125 9.638 11.494 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.066 9.092 12.867 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.616 11.370 10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 72 3.794 11.316 12.722 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.917 11.019 11.008 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.890 10.304 12.608 1.00 0.00 H new ATOM 1075 N GLU A 73 4.076 7.938 8.601 1.00 0.00 N ATOM 1076 CA GLU A 73 3.685 7.901 7.199 1.00 0.00 C ATOM 1077 C GLU A 73 2.438 7.045 7.007 1.00 0.00 C ATOM 1078 O GLU A 73 1.577 7.359 6.186 1.00 0.00 O ATOM 1079 CB GLU A 73 4.826 7.336 6.359 1.00 0.00 C ATOM 1080 CG GLU A 73 6.117 8.128 6.450 1.00 0.00 C ATOM 1081 CD GLU A 73 7.269 7.417 5.774 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.305 7.385 4.526 1.00 0.00 O ATOM 1083 OE2 GLU A 73 8.140 6.877 6.487 1.00 0.00 O ATOM 0 H GLU A 73 4.942 7.439 8.806 1.00 0.00 H new ATOM 0 HA GLU A 73 3.462 8.918 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.019 6.310 6.672 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.510 7.297 5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.975 9.106 5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.363 8.301 7.498 1.00 0.00 H new ATOM 1090 N GLY A 74 2.349 5.962 7.770 1.00 0.00 N ATOM 1091 CA GLY A 74 1.212 5.069 7.660 1.00 0.00 C ATOM 1092 C GLY A 74 1.529 3.834 6.842 1.00 0.00 C ATOM 1093 O GLY A 74 0.879 3.561 5.831 1.00 0.00 O ATOM 0 H GLY A 74 3.045 5.687 8.463 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.890 4.769 8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.378 5.601 7.203 1.00 0.00 H new ATOM 1097 N TRP A 75 2.532 3.087 7.276 1.00 0.00 N ATOM 1098 CA TRP A 75 2.920 1.861 6.597 1.00 0.00 C ATOM 1099 C TRP A 75 3.224 0.769 7.608 1.00 0.00 C ATOM 1100 O TRP A 75 3.564 1.051 8.758 1.00 0.00 O ATOM 1101 CB TRP A 75 4.134 2.088 5.680 1.00 0.00 C ATOM 1102 CG TRP A 75 5.304 2.750 6.350 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.624 4.072 6.294 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.314 2.128 7.161 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.763 4.317 7.021 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.204 3.141 7.565 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.550 0.817 7.589 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.310 2.883 8.373 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 7.647 0.564 8.389 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.514 1.593 8.775 1.00 0.00 C ATOM 0 H TRP A 75 3.094 3.309 8.098 1.00 0.00 H new ATOM 0 HA TRP A 75 2.082 1.546 5.975 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.456 1.127 5.280 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.824 2.698 4.832 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.063 4.821 5.755 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.208 5.227 7.137 1.00 0.00 H new ATOM 0 HE3 TRP A 75 5.886 0.017 7.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.982 3.674 8.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 7.839 -0.445 8.723 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.362 1.363 9.403 1.00 0.00 H new ATOM 1121 N GLY A 76 3.099 -0.471 7.171 1.00 0.00 N ATOM 1122 CA GLY A 76 3.379 -1.593 8.034 1.00 0.00 C ATOM 1123 C GLY A 76 4.413 -2.516 7.433 1.00 0.00 C ATOM 1124 O GLY A 76 4.269 -2.962 6.293 1.00 0.00 O ATOM 0 H GLY A 76 2.806 -0.721 6.226 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.732 -1.230 8.999 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.459 -2.148 8.219 1.00 0.00 H new ATOM 1128 N TRP A 77 5.460 -2.796 8.190 1.00 0.00 N ATOM 1129 CA TRP A 77 6.513 -3.682 7.731 1.00 0.00 C ATOM 1130 C TRP A 77 6.365 -5.033 8.407 1.00 0.00 C ATOM 1131 O TRP A 77 6.221 -5.113 9.628 1.00 0.00 O ATOM 1132 CB TRP A 77 7.890 -3.082 8.036 1.00 0.00 C ATOM 1133 CG TRP A 77 9.045 -3.931 7.590 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.622 -4.963 8.276 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.773 -3.811 6.364 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.653 -5.498 7.544 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.768 -4.806 6.369 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.679 -2.961 5.260 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.660 -4.974 5.314 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.566 -3.127 4.213 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.545 -4.128 4.247 1.00 0.00 C ATOM 0 H TRP A 77 5.603 -2.421 9.128 1.00 0.00 H new ATOM 0 HA TRP A 77 6.429 -3.808 6.652 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.963 -2.107 7.555 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.971 -2.914 9.110 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.312 -5.307 9.252 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.238 -6.283 7.829 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.926 -2.187 5.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.416 -5.745 5.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.503 -2.474 3.355 1.00 0.00 H new ATOM 0 HH2 TRP A 77 12.223 -4.233 3.413 1.00 0.00 H new ATOM 1152 N CYS A 78 6.376 -6.091 7.618 1.00 0.00 N ATOM 1153 CA CYS A 78 6.284 -7.432 8.163 1.00 0.00 C ATOM 1154 C CYS A 78 7.627 -8.130 8.034 1.00 0.00 C ATOM 1155 O CYS A 78 8.000 -8.540 6.945 1.00 0.00 O ATOM 1156 CB CYS A 78 5.204 -8.235 7.440 1.00 0.00 C ATOM 1157 SG CYS A 78 4.666 -9.718 8.346 1.00 0.00 S ATOM 0 H CYS A 78 6.447 -6.048 6.601 1.00 0.00 H new ATOM 0 HA CYS A 78 6.013 -7.364 9.216 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.341 -7.593 7.267 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.580 -8.534 6.462 1.00 0.00 H new ATOM 1162 N TYR A 79 8.339 -8.264 9.150 1.00 0.00 N ATOM 1163 CA TYR A 79 9.709 -8.793 9.156 1.00 0.00 C ATOM 1164 C TYR A 79 9.844 -10.116 8.405 1.00 0.00 C ATOM 1165 O TYR A 79 10.716 -10.260 7.551 1.00 0.00 O ATOM 1166 CB TYR A 79 10.209 -8.964 10.592 1.00 0.00 C ATOM 1167 CG TYR A 79 10.536 -7.658 11.276 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.640 -6.914 10.881 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.749 -7.168 12.310 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.949 -5.718 11.494 1.00 0.00 C ATOM 1171 CE2 TYR A 79 10.054 -5.971 12.930 1.00 0.00 C ATOM 1172 CZ TYR A 79 11.155 -5.250 12.516 1.00 0.00 C ATOM 1173 OH TYR A 79 11.461 -4.056 13.127 1.00 0.00 O ATOM 0 H TYR A 79 7.989 -8.012 10.074 1.00 0.00 H new ATOM 0 HA TYR A 79 10.323 -8.061 8.631 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.450 -9.489 11.172 1.00 0.00 H new ATOM 0 HB3 TYR A 79 11.098 -9.594 10.586 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.267 -7.278 10.081 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.886 -7.731 12.634 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.810 -5.151 11.173 1.00 0.00 H new ATOM 0 HE2 TYR A 79 9.434 -5.602 13.734 1.00 0.00 H new ATOM 0 HH TYR A 79 12.429 -4.001 13.271 1.00 0.00 H new ATOM 1183 N VAL A 80 8.978 -11.071 8.715 1.00 0.00 N ATOM 1184 CA VAL A 80 9.065 -12.406 8.124 1.00 0.00 C ATOM 1185 C VAL A 80 8.753 -12.397 6.625 1.00 0.00 C ATOM 1186 O VAL A 80 9.163 -13.298 5.894 1.00 0.00 O ATOM 1187 CB VAL A 80 8.128 -13.401 8.839 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.616 -13.672 10.252 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.701 -12.880 8.866 1.00 0.00 C ATOM 0 H VAL A 80 8.207 -10.950 9.371 1.00 0.00 H new ATOM 0 HA VAL A 80 10.097 -12.730 8.256 1.00 0.00 H new ATOM 0 HB VAL A 80 8.140 -14.336 8.279 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.943 -14.376 10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.620 -14.096 10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.636 -12.739 10.815 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.060 -13.600 9.375 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.671 -11.928 9.397 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.346 -12.737 7.845 1.00 0.00 H new ATOM 1199 N ASP A 81 8.043 -11.371 6.171 1.00 0.00 N ATOM 1200 CA ASP A 81 7.662 -11.262 4.761 1.00 0.00 C ATOM 1201 C ASP A 81 8.611 -10.330 4.022 1.00 0.00 C ATOM 1202 O ASP A 81 8.879 -10.513 2.834 1.00 0.00 O ATOM 1203 CB ASP A 81 6.233 -10.723 4.619 1.00 0.00 C ATOM 1204 CG ASP A 81 5.170 -11.685 5.108 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.130 -11.956 6.320 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.347 -12.131 4.287 1.00 0.00 O ATOM 0 H ASP A 81 7.718 -10.601 6.756 1.00 0.00 H new ATOM 0 HA ASP A 81 7.716 -12.261 4.329 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.149 -9.789 5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.045 -10.489 3.571 1.00 0.00 H new ATOM 1211 N GLU A 82 9.099 -9.326 4.750 1.00 0.00 N ATOM 1212 CA GLU A 82 9.954 -8.269 4.207 1.00 0.00 C ATOM 1213 C GLU A 82 9.158 -7.360 3.282 1.00 0.00 C ATOM 1214 O GLU A 82 9.724 -6.627 2.475 1.00 0.00 O ATOM 1215 CB GLU A 82 11.173 -8.840 3.479 1.00 0.00 C ATOM 1216 CG GLU A 82 12.137 -9.577 4.391 1.00 0.00 C ATOM 1217 CD GLU A 82 13.392 -10.007 3.668 1.00 0.00 C ATOM 1218 OE1 GLU A 82 13.382 -11.085 3.043 1.00 0.00 O ATOM 1219 OE2 GLU A 82 14.392 -9.261 3.705 1.00 0.00 O ATOM 0 H GLU A 82 8.909 -9.222 5.747 1.00 0.00 H new ATOM 0 HA GLU A 82 10.321 -7.681 5.049 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.833 -9.520 2.698 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.704 -8.027 2.985 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.405 -8.934 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.642 -10.454 4.808 1.00 0.00 H new ATOM 1226 N VAL A 83 7.841 -7.402 3.418 1.00 0.00 N ATOM 1227 CA VAL A 83 6.969 -6.551 2.627 1.00 0.00 C ATOM 1228 C VAL A 83 6.504 -5.352 3.444 1.00 0.00 C ATOM 1229 O VAL A 83 6.225 -5.471 4.644 1.00 0.00 O ATOM 1230 CB VAL A 83 5.737 -7.317 2.088 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.171 -8.453 1.174 1.00 0.00 C ATOM 1232 CG2 VAL A 83 4.868 -7.843 3.225 1.00 0.00 C ATOM 0 H VAL A 83 7.354 -8.017 4.070 1.00 0.00 H new ATOM 0 HA VAL A 83 7.553 -6.208 1.773 1.00 0.00 H new ATOM 0 HB VAL A 83 5.136 -6.616 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.291 -8.980 0.805 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.731 -8.048 0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.802 -9.146 1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.012 -8.376 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.453 -8.522 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.518 -7.008 3.831 1.00 0.00 H new ATOM 1242 N MET A 84 6.455 -4.200 2.797 1.00 0.00 N ATOM 1243 CA MET A 84 5.975 -2.981 3.428 1.00 0.00 C ATOM 1244 C MET A 84 4.663 -2.548 2.788 1.00 0.00 C ATOM 1245 O MET A 84 4.634 -2.111 1.638 1.00 0.00 O ATOM 1246 CB MET A 84 7.027 -1.875 3.307 1.00 0.00 C ATOM 1247 CG MET A 84 6.635 -0.566 3.974 1.00 0.00 C ATOM 1248 SD MET A 84 8.015 0.596 4.089 1.00 0.00 S ATOM 1249 CE MET A 84 8.557 0.673 2.381 1.00 0.00 C ATOM 0 H MET A 84 6.745 -4.083 1.826 1.00 0.00 H new ATOM 0 HA MET A 84 5.799 -3.172 4.487 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.961 -2.228 3.745 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.221 -1.688 2.251 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.823 -0.105 3.412 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.254 -0.772 4.974 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.508 0.150 2.277 1.00 0.00 H new ATOM 0 HE2 MET A 84 7.811 0.201 1.741 1.00 0.00 H new ATOM 0 HE3 MET A 84 8.682 1.715 2.085 1.00 0.00 H new ATOM 1259 N PHE A 85 3.579 -2.693 3.532 1.00 0.00 N ATOM 1260 CA PHE A 85 2.253 -2.379 3.020 1.00 0.00 C ATOM 1261 C PHE A 85 1.709 -1.116 3.672 1.00 0.00 C ATOM 1262 O PHE A 85 2.363 -0.514 4.521 1.00 0.00 O ATOM 1263 CB PHE A 85 1.294 -3.560 3.235 1.00 0.00 C ATOM 1264 CG PHE A 85 1.186 -4.028 4.663 1.00 0.00 C ATOM 1265 CD1 PHE A 85 2.059 -4.983 5.162 1.00 0.00 C ATOM 1266 CD2 PHE A 85 0.206 -3.520 5.501 1.00 0.00 C ATOM 1267 CE1 PHE A 85 1.958 -5.417 6.470 1.00 0.00 C ATOM 1268 CE2 PHE A 85 0.102 -3.952 6.810 1.00 0.00 C ATOM 1269 CZ PHE A 85 0.980 -4.900 7.294 1.00 0.00 C ATOM 0 H PHE A 85 3.590 -3.027 4.496 1.00 0.00 H new ATOM 0 HA PHE A 85 2.335 -2.199 1.948 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.302 -3.274 2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.623 -4.395 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.826 -5.392 4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.484 -2.778 5.127 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.644 -6.161 6.847 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.666 -3.548 7.453 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.902 -5.237 8.317 1.00 0.00 H new ATOM 1279 N ASP A 86 0.505 -0.734 3.279 1.00 0.00 N ATOM 1280 CA ASP A 86 -0.081 0.529 3.703 1.00 0.00 C ATOM 1281 C ASP A 86 -0.976 0.368 4.926 1.00 0.00 C ATOM 1282 O ASP A 86 -1.724 -0.604 5.051 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.881 1.149 2.554 1.00 0.00 C ATOM 1284 CG ASP A 86 -1.888 0.182 1.961 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -1.477 -0.687 1.156 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -3.087 0.278 2.296 1.00 0.00 O ATOM 0 H ASP A 86 -0.091 -1.285 2.662 1.00 0.00 H new ATOM 0 HA ASP A 86 0.740 1.189 3.981 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.402 2.036 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.195 1.478 1.774 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.874 1.337 5.824 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.727 1.430 7.003 1.00 0.00 C ATOM 1293 C LEU A 87 -2.138 2.884 7.192 1.00 0.00 C ATOM 1294 O LEU A 87 -2.189 3.395 8.308 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.992 0.924 8.250 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.743 -0.585 8.301 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.070 -0.946 9.534 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -2.064 -1.344 8.297 1.00 0.00 C ATOM 0 H LEU A 87 -0.189 2.090 5.755 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.610 0.807 6.860 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.032 1.436 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.567 1.210 9.131 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.177 -0.871 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.239 -2.023 9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.029 -0.429 9.502 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.474 -0.646 10.429 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.868 -2.416 8.334 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.653 -1.053 9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.617 -1.107 7.388 1.00 0.00 H new ATOM 1310 N SER A 88 -2.464 3.529 6.081 1.00 0.00 N ATOM 1311 CA SER A 88 -2.686 4.968 6.047 1.00 0.00 C ATOM 1312 C SER A 88 -3.877 5.392 6.913 1.00 0.00 C ATOM 1313 O SER A 88 -3.844 6.446 7.545 1.00 0.00 O ATOM 1314 CB SER A 88 -2.893 5.418 4.598 1.00 0.00 C ATOM 1315 OG SER A 88 -2.931 6.830 4.491 1.00 0.00 O ATOM 0 H SER A 88 -2.582 3.070 5.178 1.00 0.00 H new ATOM 0 HA SER A 88 -1.803 5.453 6.463 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.088 5.027 3.976 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.823 4.998 4.215 1.00 0.00 H new ATOM 0 HG SER A 88 -3.063 7.084 3.554 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.918 4.572 6.958 1.00 0.00 N ATOM 1322 CA ASP A 89 -6.118 4.926 7.713 1.00 0.00 C ATOM 1323 C ASP A 89 -6.142 4.227 9.058 1.00 0.00 C ATOM 1324 O ASP A 89 -6.973 4.532 9.912 1.00 0.00 O ATOM 1325 CB ASP A 89 -7.386 4.580 6.933 1.00 0.00 C ATOM 1326 CG ASP A 89 -7.597 5.478 5.735 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -7.914 6.672 5.927 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -7.453 4.993 4.595 1.00 0.00 O ATOM 0 H ASP A 89 -4.959 3.668 6.488 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.090 6.004 7.875 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.331 3.544 6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -8.248 4.657 7.596 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.235 3.286 9.244 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.165 2.541 10.489 1.00 0.00 C ATOM 1335 C ARG A 90 -4.014 3.034 11.355 1.00 0.00 C ATOM 1336 O ARG A 90 -3.839 2.558 12.472 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.002 1.044 10.211 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.200 0.414 9.518 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.951 -1.052 9.195 1.00 0.00 C ATOM 1340 NE ARG A 90 -7.112 -1.684 8.567 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.063 -2.819 7.868 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -5.905 -3.443 7.675 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -8.178 -3.327 7.359 1.00 0.00 N ATOM 0 H ARG A 90 -4.537 3.019 8.550 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.099 2.703 11.028 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.116 0.893 9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.826 0.526 11.154 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.079 0.503 10.157 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.418 0.958 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.091 -1.135 8.531 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.699 -1.587 10.111 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.018 -1.227 8.671 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.045 -3.054 8.063 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -5.876 -4.311 7.139 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.068 -2.850 7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.145 -4.195 6.824 1.00 0.00 H new ATOM 1357 N MET A 91 -3.244 3.991 10.833 1.00 0.00 N ATOM 1358 CA MET A 91 -2.037 4.487 11.505 1.00 0.00 C ATOM 1359 C MET A 91 -2.302 4.845 12.966 1.00 0.00 C ATOM 1360 O MET A 91 -3.350 5.402 13.310 1.00 0.00 O ATOM 1361 CB MET A 91 -1.454 5.699 10.763 1.00 0.00 C ATOM 1362 CG MET A 91 -2.378 6.906 10.716 1.00 0.00 C ATOM 1363 SD MET A 91 -1.566 8.387 10.071 1.00 0.00 S ATOM 1364 CE MET A 91 -1.100 7.845 8.428 1.00 0.00 C ATOM 0 H MET A 91 -3.436 4.443 9.939 1.00 0.00 H new ATOM 0 HA MET A 91 -1.308 3.677 11.487 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.520 5.990 11.243 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.210 5.403 9.743 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.243 6.672 10.095 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.752 7.110 11.719 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.014 7.787 8.359 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.529 6.862 8.234 1.00 0.00 H new ATOM 0 HE3 MET A 91 -1.473 8.556 7.691 1.00 0.00 H new ATOM 1374 N THR A 92 -1.347 4.505 13.816 1.00 0.00 N ATOM 1375 CA THR A 92 -1.473 4.703 15.252 1.00 0.00 C ATOM 1376 C THR A 92 -1.425 6.190 15.614 1.00 0.00 C ATOM 1377 O THR A 92 -0.486 6.897 15.239 1.00 0.00 O ATOM 1378 CB THR A 92 -0.345 3.959 15.996 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.240 2.618 15.499 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.602 3.925 17.496 1.00 0.00 C ATOM 0 H THR A 92 -0.463 4.084 13.531 1.00 0.00 H new ATOM 0 HA THR A 92 -2.439 4.302 15.557 1.00 0.00 H new ATOM 0 HB THR A 92 0.588 4.495 15.820 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.428 2.586 14.782 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.210 3.394 17.992 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.657 4.944 17.879 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.544 3.413 17.692 1.00 0.00 H new ATOM 1388 N PRO A 93 -2.451 6.686 16.331 1.00 0.00 N ATOM 1389 CA PRO A 93 -2.494 8.075 16.805 1.00 0.00 C ATOM 1390 C PRO A 93 -1.367 8.367 17.791 1.00 0.00 C ATOM 1391 O PRO A 93 -0.843 7.454 18.437 1.00 0.00 O ATOM 1392 CB PRO A 93 -3.858 8.185 17.503 1.00 0.00 C ATOM 1393 CG PRO A 93 -4.648 7.025 17.001 1.00 0.00 C ATOM 1394 CD PRO A 93 -3.651 5.937 16.732 1.00 0.00 C ATOM 0 HA PRO A 93 -2.369 8.789 15.991 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.750 8.148 18.587 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -4.348 9.129 17.263 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.385 6.706 17.738 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -5.195 7.287 16.095 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -3.470 5.327 17.617 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -3.990 5.264 15.944 1.00 0.00 H new ATOM 1402 N HIS A 94 -0.991 9.634 17.911 1.00 0.00 N ATOM 1403 CA HIS A 94 0.107 9.999 18.793 1.00 0.00 C ATOM 1404 C HIS A 94 -0.371 10.104 20.237 1.00 0.00 C ATOM 1405 O HIS A 94 -1.382 10.741 20.528 1.00 0.00 O ATOM 1406 CB HIS A 94 0.801 11.299 18.339 1.00 0.00 C ATOM 1407 CG HIS A 94 -0.060 12.530 18.357 1.00 0.00 C ATOM 1408 ND1 HIS A 94 -0.692 13.021 17.236 1.00 0.00 N ATOM 1409 CD2 HIS A 94 -0.366 13.384 19.361 1.00 0.00 C ATOM 1410 CE1 HIS A 94 -1.347 14.123 17.549 1.00 0.00 C ATOM 1411 NE2 HIS A 94 -1.167 14.365 18.833 1.00 0.00 N ATOM 0 H HIS A 94 -1.423 10.414 17.417 1.00 0.00 H new ATOM 0 HA HIS A 94 0.850 9.204 18.737 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.666 11.472 18.980 1.00 0.00 H new ATOM 0 HB3 HIS A 94 1.178 11.155 17.327 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.040 13.308 20.388 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -1.932 14.725 16.869 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.559 15.153 19.349 1.00 0.00 H new ATOM 1420 N ASN A 95 0.357 9.451 21.130 1.00 0.00 N ATOM 1421 CA ASN A 95 0.041 9.471 22.556 1.00 0.00 C ATOM 1422 C ASN A 95 0.802 10.596 23.246 1.00 0.00 C ATOM 1423 O ASN A 95 0.727 10.768 24.467 1.00 0.00 O ATOM 1424 CB ASN A 95 0.391 8.124 23.204 1.00 0.00 C ATOM 1425 CG ASN A 95 1.881 7.820 23.178 1.00 0.00 C ATOM 1426 OD1 ASN A 95 2.609 8.271 22.296 1.00 0.00 O ATOM 1427 ND2 ASN A 95 2.343 7.040 24.143 1.00 0.00 N ATOM 0 H ASN A 95 1.178 8.895 20.892 1.00 0.00 H new ATOM 0 HA ASN A 95 -1.029 9.644 22.671 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.044 8.123 24.237 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.145 7.328 22.687 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.333 6.795 24.171 1.00 0.00 H new ATOM 0 HD22 ASN A 95 1.709 6.684 24.858 1.00 0.00 H new ATOM 1434 N GLY A 96 1.541 11.348 22.446 1.00 0.00 N ATOM 1435 CA GLY A 96 2.309 12.464 22.945 1.00 0.00 C ATOM 1436 C GLY A 96 3.260 12.981 21.888 1.00 0.00 C ATOM 1437 O GLY A 96 3.200 12.538 20.741 1.00 0.00 O ATOM 0 H GLY A 96 1.621 11.199 21.440 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.636 13.263 23.257 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.871 12.158 23.827 1.00 0.00 H new ATOM 1441 N PRO A 97 4.146 13.920 22.237 1.00 0.00 N ATOM 1442 CA PRO A 97 5.128 14.465 21.313 1.00 0.00 C ATOM 1443 C PRO A 97 6.415 13.645 21.299 1.00 0.00 C ATOM 1444 O PRO A 97 7.144 13.596 22.296 1.00 0.00 O ATOM 1445 CB PRO A 97 5.393 15.873 21.864 1.00 0.00 C ATOM 1446 CG PRO A 97 4.772 15.923 23.232 1.00 0.00 C ATOM 1447 CD PRO A 97 4.263 14.541 23.554 1.00 0.00 C ATOM 0 HA PRO A 97 4.772 14.460 20.283 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.463 16.073 21.917 1.00 0.00 H new ATOM 0 HB3 PRO A 97 4.958 16.632 21.213 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.504 16.243 23.973 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.957 16.646 23.256 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.954 13.996 24.197 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.304 14.574 24.071 1.00 0.00 H new ATOM 1455 N ILE A 98 6.692 13.007 20.171 1.00 0.00 N ATOM 1456 CA ILE A 98 7.879 12.174 20.037 1.00 0.00 C ATOM 1457 C ILE A 98 9.117 13.034 19.808 1.00 0.00 C ATOM 1458 O ILE A 98 9.180 13.804 18.848 1.00 0.00 O ATOM 1459 CB ILE A 98 7.736 11.156 18.884 1.00 0.00 C ATOM 1460 CG1 ILE A 98 6.555 10.221 19.157 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.025 10.361 18.704 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.427 9.091 18.161 1.00 0.00 C ATOM 0 H ILE A 98 6.110 13.050 19.334 1.00 0.00 H new ATOM 0 HA ILE A 98 7.990 11.621 20.970 1.00 0.00 H new ATOM 0 HB ILE A 98 7.545 11.699 17.958 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.660 9.801 20.157 1.00 0.00 H new ATOM 0 HG13 ILE A 98 5.634 10.804 19.151 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.903 9.650 17.887 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.844 11.043 18.472 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.251 9.822 19.624 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.568 8.472 18.421 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.289 9.502 17.161 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.331 8.483 18.182 1.00 0.00 H new ATOM 1474 N PRO A 99 10.109 12.934 20.709 1.00 0.00 N ATOM 1475 CA PRO A 99 11.356 13.689 20.603 1.00 0.00 C ATOM 1476 C PRO A 99 12.247 13.189 19.470 1.00 0.00 C ATOM 1477 O PRO A 99 12.887 12.143 19.582 1.00 0.00 O ATOM 1478 CB PRO A 99 12.047 13.465 21.958 1.00 0.00 C ATOM 1479 CG PRO A 99 11.027 12.811 22.830 1.00 0.00 C ATOM 1480 CD PRO A 99 10.091 12.088 21.908 1.00 0.00 C ATOM 0 HA PRO A 99 11.165 14.738 20.379 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.929 12.835 21.848 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.381 14.409 22.388 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.498 12.119 23.528 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.492 13.551 23.426 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.433 11.075 21.695 1.00 0.00 H new ATOM 0 HD3 PRO A 99 9.090 12.004 22.330 1.00 0.00 H new ATOM 1488 N ARG A 100 12.266 13.928 18.373 1.00 0.00 N ATOM 1489 CA ARG A 100 13.147 13.614 17.262 1.00 0.00 C ATOM 1490 C ARG A 100 14.546 14.145 17.553 1.00 0.00 C ATOM 1491 O ARG A 100 14.783 15.354 17.517 1.00 0.00 O ATOM 1492 CB ARG A 100 12.604 14.208 15.957 1.00 0.00 C ATOM 1493 CG ARG A 100 13.560 14.085 14.779 1.00 0.00 C ATOM 1494 CD ARG A 100 13.850 12.635 14.412 1.00 0.00 C ATOM 1495 NE ARG A 100 12.692 11.956 13.829 1.00 0.00 N ATOM 1496 CZ ARG A 100 12.265 12.148 12.580 1.00 0.00 C ATOM 1497 NH1 ARG A 100 12.835 13.067 11.807 1.00 0.00 N ATOM 1498 NH2 ARG A 100 11.268 11.419 12.104 1.00 0.00 N ATOM 0 H ARG A 100 11.680 14.750 18.229 1.00 0.00 H new ATOM 0 HA ARG A 100 13.196 12.532 17.143 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.667 13.711 15.705 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.373 15.261 16.117 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.135 14.597 13.916 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.496 14.589 15.020 1.00 0.00 H new ATOM 0 HD2 ARG A 100 14.679 12.603 13.705 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.171 12.096 15.304 1.00 0.00 H new ATOM 0 HE ARG A 100 12.180 11.295 14.414 1.00 0.00 H new ATOM 0 HH11 ARG A 100 13.604 13.631 12.168 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.503 13.208 10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.827 10.712 12.692 1.00 0.00 H new ATOM 0 HH22 ARG A 100 10.940 11.565 11.149 1.00 0.00 H new ATOM 1512 N TYR A 101 15.459 13.240 17.872 1.00 0.00 N ATOM 1513 CA TYR A 101 16.819 13.623 18.223 1.00 0.00 C ATOM 1514 C TYR A 101 17.677 13.787 16.975 1.00 0.00 C ATOM 1515 O TYR A 101 18.449 14.741 16.861 1.00 0.00 O ATOM 1516 CB TYR A 101 17.450 12.578 19.146 1.00 0.00 C ATOM 1517 CG TYR A 101 16.726 12.390 20.462 1.00 0.00 C ATOM 1518 CD1 TYR A 101 16.885 13.298 21.503 1.00 0.00 C ATOM 1519 CD2 TYR A 101 15.899 11.294 20.671 1.00 0.00 C ATOM 1520 CE1 TYR A 101 16.239 13.118 22.712 1.00 0.00 C ATOM 1521 CE2 TYR A 101 15.247 11.110 21.875 1.00 0.00 C ATOM 1522 CZ TYR A 101 15.420 12.024 22.892 1.00 0.00 C ATOM 1523 OH TYR A 101 14.778 11.835 24.096 1.00 0.00 O ATOM 0 H TYR A 101 15.283 12.236 17.895 1.00 0.00 H new ATOM 0 HA TYR A 101 16.772 14.579 18.744 1.00 0.00 H new ATOM 0 HB2 TYR A 101 17.484 11.622 18.624 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.481 12.866 19.350 1.00 0.00 H new ATOM 0 HD1 TYR A 101 17.524 14.158 21.365 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.763 10.573 19.878 1.00 0.00 H new ATOM 0 HE1 TYR A 101 16.375 13.831 23.512 1.00 0.00 H new ATOM 0 HE2 TYR A 101 14.605 10.254 22.019 1.00 0.00 H new ATOM 0 HH TYR A 101 14.239 11.017 24.055 1.00 0.00 H new ATOM 1533 N VAL A 102 17.541 12.855 16.044 1.00 0.00 N ATOM 1534 CA VAL A 102 18.349 12.866 14.836 1.00 0.00 C ATOM 1535 C VAL A 102 17.812 13.866 13.815 1.00 0.00 C ATOM 1536 O VAL A 102 18.473 14.903 13.607 1.00 0.00 O ATOM 1537 CB VAL A 102 18.466 11.460 14.200 1.00 0.00 C ATOM 1538 CG1 VAL A 102 19.389 10.579 15.027 1.00 0.00 C ATOM 1539 CG2 VAL A 102 17.101 10.802 14.062 1.00 0.00 C ATOM 1540 OXT VAL A 102 16.736 13.621 13.233 1.00 0.00 O ATOM 0 H VAL A 102 16.878 12.082 16.103 1.00 0.00 H new ATOM 0 HA VAL A 102 19.349 13.180 15.135 1.00 0.00 H new ATOM 0 HB VAL A 102 18.888 11.579 13.202 1.00 0.00 H new ATOM 0 HG11 VAL A 102 19.461 9.594 14.566 1.00 0.00 H new ATOM 0 HG12 VAL A 102 20.380 11.031 15.072 1.00 0.00 H new ATOM 0 HG13 VAL A 102 18.989 10.480 16.036 1.00 0.00 H new ATOM 0 HG21 VAL A 102 17.216 9.816 13.612 1.00 0.00 H new ATOM 0 HG22 VAL A 102 16.645 10.701 15.047 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.463 11.418 13.428 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.540 -11.369 7.096 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 5.489 -6.256 20.221 1.00 0.00 ZN