USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 504 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 28 HIS HD1 : A 28 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HD1 : A 31 HIS ND1 : A 67 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HD1 : A 58 HIS ND1 : A 68 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0 (180deg=-0.0965) USER MOD Single : A 2 SER OG : rot -32:sc= 0.21 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.96! K(o=-3!,f=-0.31) USER MOD Single : A 23 MET CE :methyl -167:sc= -0.577 (180deg=-1.12) USER MOD Single : A 25 LYS NZ :NH3+ 162:sc=-0.00187 (180deg=-0.16) USER MOD Single : A 26 GLN : amide:sc= -7.51! K(o=-7.5!,f=-1.6) USER MOD Single : A 36 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.622) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= -0.0117 (180deg=-0.232) USER MOD Single : A 44 HIS : no HD1:sc= -2.16 K(o=-2.2,f=-1.5) USER MOD Single : A 46 HIS : no HD1:sc= -0.399 K(o=-0.4,f=-1.1) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.531 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -2.58! C(o=-2.6!,f=-7.4!) USER MOD Single : A 61 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.858 25.361 5.626 1.00 0.00 N ATOM 2 CA GLY A 1 12.014 24.799 4.871 1.00 0.00 C ATOM 3 C GLY A 1 11.502 23.865 3.773 1.00 0.00 C ATOM 4 O GLY A 1 12.025 23.837 2.676 1.00 0.00 O ATOM 0 H1 GLY A 1 11.193 26.108 6.268 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.169 25.761 4.958 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.405 24.606 6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.602 25.605 4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.674 24.255 5.547 1.00 0.00 H new ATOM 10 N SER A 2 10.484 23.100 4.059 1.00 0.00 N ATOM 11 CA SER A 2 9.941 22.169 3.030 1.00 0.00 C ATOM 12 C SER A 2 8.569 21.659 3.479 1.00 0.00 C ATOM 13 O SER A 2 7.650 22.426 3.686 1.00 0.00 O ATOM 14 CB SER A 2 10.894 20.986 2.858 1.00 0.00 C ATOM 15 OG SER A 2 12.211 21.473 2.634 1.00 0.00 O ATOM 0 H SER A 2 10.005 23.080 4.960 1.00 0.00 H new ATOM 0 HA SER A 2 9.841 22.695 2.080 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.873 20.355 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.575 20.366 2.020 1.00 0.00 H new ATOM 0 HG SER A 2 12.167 22.323 2.147 1.00 0.00 H new ATOM 21 N MET A 3 8.424 20.370 3.629 1.00 0.00 N ATOM 22 CA MET A 3 7.112 19.813 4.064 1.00 0.00 C ATOM 23 C MET A 3 6.001 20.360 3.164 1.00 0.00 C ATOM 24 O MET A 3 5.520 21.460 3.355 1.00 0.00 O ATOM 25 CB MET A 3 6.840 20.219 5.515 1.00 0.00 C ATOM 26 CG MET A 3 7.679 19.350 6.455 1.00 0.00 C ATOM 27 SD MET A 3 9.434 19.551 6.058 1.00 0.00 S ATOM 28 CE MET A 3 9.967 17.891 6.543 1.00 0.00 C ATOM 0 H MET A 3 9.157 19.679 3.469 1.00 0.00 H new ATOM 0 HA MET A 3 7.137 18.726 3.990 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.084 21.271 5.661 1.00 0.00 H new ATOM 0 HB3 MET A 3 5.781 20.103 5.744 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.495 19.634 7.491 1.00 0.00 H new ATOM 0 HG3 MET A 3 7.390 18.304 6.355 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.040 17.791 6.379 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.745 17.731 7.598 1.00 0.00 H new ATOM 0 HE3 MET A 3 9.438 17.150 5.945 1.00 0.00 H new ATOM 38 N GLY A 4 5.588 19.597 2.187 1.00 0.00 N ATOM 39 CA GLY A 4 4.505 20.063 1.269 1.00 0.00 C ATOM 40 C GLY A 4 3.236 19.257 1.539 1.00 0.00 C ATOM 41 O GLY A 4 2.325 19.225 0.737 1.00 0.00 O ATOM 0 H GLY A 4 5.955 18.667 1.984 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.315 21.125 1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.814 19.940 0.231 1.00 0.00 H new ATOM 45 N VAL A 5 3.175 18.609 2.668 1.00 0.00 N ATOM 46 CA VAL A 5 1.971 17.799 3.010 1.00 0.00 C ATOM 47 C VAL A 5 1.710 16.752 1.914 1.00 0.00 C ATOM 48 O VAL A 5 1.422 17.097 0.786 1.00 0.00 O ATOM 49 CB VAL A 5 0.752 18.722 3.154 1.00 0.00 C ATOM 50 CG1 VAL A 5 -0.510 17.992 2.711 1.00 0.00 C ATOM 51 CG2 VAL A 5 0.577 19.124 4.619 1.00 0.00 C ATOM 0 H VAL A 5 3.912 18.605 3.374 1.00 0.00 H new ATOM 0 HA VAL A 5 2.144 17.283 3.954 1.00 0.00 H new ATOM 0 HB VAL A 5 0.913 19.604 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.369 18.654 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.409 17.691 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.655 17.107 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.289 19.779 4.716 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.426 18.231 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.469 19.649 4.961 1.00 0.00 H new ATOM 61 N PRO A 6 1.810 15.498 2.285 1.00 0.00 N ATOM 62 CA PRO A 6 1.579 14.378 1.366 1.00 0.00 C ATOM 63 C PRO A 6 0.093 14.152 1.216 1.00 0.00 C ATOM 64 O PRO A 6 -0.702 14.637 1.994 1.00 0.00 O ATOM 65 CB PRO A 6 2.230 13.172 2.054 1.00 0.00 C ATOM 66 CG PRO A 6 2.608 13.617 3.488 1.00 0.00 C ATOM 67 CD PRO A 6 2.177 15.079 3.644 1.00 0.00 C ATOM 0 HA PRO A 6 1.989 14.554 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.543 12.327 2.081 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.114 12.846 1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.111 12.990 4.228 1.00 0.00 H new ATOM 0 HG3 PRO A 6 3.681 13.514 3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.335 15.174 4.330 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.985 15.691 4.044 1.00 0.00 H new ATOM 75 N ILE A 7 -0.286 13.417 0.223 1.00 0.00 N ATOM 76 CA ILE A 7 -1.725 13.153 0.013 1.00 0.00 C ATOM 77 C ILE A 7 -1.932 11.676 -0.288 1.00 0.00 C ATOM 78 O ILE A 7 -1.385 11.128 -1.224 1.00 0.00 O ATOM 79 CB ILE A 7 -2.226 14.028 -1.127 1.00 0.00 C ATOM 80 CG1 ILE A 7 -2.442 15.432 -0.568 1.00 0.00 C ATOM 81 CG2 ILE A 7 -3.543 13.465 -1.649 1.00 0.00 C ATOM 82 CD1 ILE A 7 -2.820 16.409 -1.678 1.00 0.00 C ATOM 0 H ILE A 7 0.340 12.985 -0.456 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.293 13.395 0.911 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.508 14.054 -1.947 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.229 15.410 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.534 15.774 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.907 14.088 -2.466 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.387 12.448 -2.010 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.279 13.455 -0.845 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.968 17.402 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.020 16.446 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.742 16.077 -2.156 1.00 0.00 H new ATOM 94 N CYS A 8 -2.702 11.029 0.535 1.00 0.00 N ATOM 95 CA CYS A 8 -2.942 9.579 0.355 1.00 0.00 C ATOM 96 C CYS A 8 -3.629 9.325 -0.978 1.00 0.00 C ATOM 97 O CYS A 8 -4.702 9.824 -1.252 1.00 0.00 O ATOM 98 CB CYS A 8 -3.807 9.059 1.501 1.00 0.00 C ATOM 99 SG CYS A 8 -4.312 7.354 1.163 1.00 0.00 S ATOM 0 H CYS A 8 -3.179 11.449 1.332 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.987 9.053 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.251 9.105 2.438 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.687 9.692 1.621 1.00 0.00 H new ATOM 104 N GLY A 9 -3.006 8.543 -1.808 1.00 0.00 N ATOM 105 CA GLY A 9 -3.599 8.235 -3.134 1.00 0.00 C ATOM 106 C GLY A 9 -4.861 7.397 -2.941 1.00 0.00 C ATOM 107 O GLY A 9 -5.532 7.037 -3.888 1.00 0.00 O ATOM 0 H GLY A 9 -2.105 8.101 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -3.839 9.158 -3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.880 7.694 -3.750 1.00 0.00 H new ATOM 111 N ALA A 10 -5.185 7.075 -1.719 1.00 0.00 N ATOM 112 CA ALA A 10 -6.398 6.250 -1.458 1.00 0.00 C ATOM 113 C ALA A 10 -7.629 7.155 -1.377 1.00 0.00 C ATOM 114 O ALA A 10 -8.709 6.789 -1.796 1.00 0.00 O ATOM 115 CB ALA A 10 -6.224 5.497 -0.138 1.00 0.00 C ATOM 0 H ALA A 10 -4.661 7.348 -0.888 1.00 0.00 H new ATOM 0 HA ALA A 10 -6.533 5.535 -2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.110 4.892 0.056 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.350 4.849 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.088 6.212 0.674 1.00 0.00 H new ATOM 121 N CYS A 11 -7.468 8.333 -0.844 1.00 0.00 N ATOM 122 CA CYS A 11 -8.620 9.275 -0.732 1.00 0.00 C ATOM 123 C CYS A 11 -8.196 10.634 -1.280 1.00 0.00 C ATOM 124 O CYS A 11 -8.958 11.579 -1.270 1.00 0.00 O ATOM 125 CB CYS A 11 -9.014 9.430 0.741 1.00 0.00 C ATOM 126 SG CYS A 11 -7.559 9.170 1.785 1.00 0.00 S ATOM 0 H CYS A 11 -6.584 8.687 -0.479 1.00 0.00 H new ATOM 0 HA CYS A 11 -9.469 8.889 -1.296 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -9.427 10.423 0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -9.792 8.711 0.998 1.00 0.00 H new ATOM 131 N ARG A 12 -6.979 10.747 -1.733 1.00 0.00 N ATOM 132 CA ARG A 12 -6.507 12.054 -2.247 1.00 0.00 C ATOM 133 C ARG A 12 -6.685 13.078 -1.127 1.00 0.00 C ATOM 134 O ARG A 12 -7.052 14.215 -1.352 1.00 0.00 O ATOM 135 CB ARG A 12 -7.323 12.470 -3.481 1.00 0.00 C ATOM 136 CG ARG A 12 -6.778 11.768 -4.734 1.00 0.00 C ATOM 137 CD ARG A 12 -7.319 10.333 -4.813 1.00 0.00 C ATOM 138 NE ARG A 12 -6.225 9.396 -5.220 1.00 0.00 N ATOM 139 CZ ARG A 12 -5.403 9.699 -6.191 1.00 0.00 C ATOM 140 NH1 ARG A 12 -5.575 10.791 -6.886 1.00 0.00 N ATOM 141 NH2 ARG A 12 -4.420 8.893 -6.483 1.00 0.00 N ATOM 0 H ARG A 12 -6.295 9.991 -1.768 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.461 11.990 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.372 12.212 -3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.276 13.551 -3.611 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.067 12.323 -5.626 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.688 11.753 -4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.724 10.034 -3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.138 10.283 -5.531 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.119 8.507 -4.732 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.354 11.414 -6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.930 11.021 -7.642 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.294 8.030 -5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.777 9.126 -7.240 1.00 0.00 H new ATOM 155 N ARG A 13 -6.419 12.665 0.086 1.00 0.00 N ATOM 156 CA ARG A 13 -6.557 13.575 1.258 1.00 0.00 C ATOM 157 C ARG A 13 -5.148 13.868 1.796 1.00 0.00 C ATOM 158 O ARG A 13 -4.334 12.970 1.869 1.00 0.00 O ATOM 159 CB ARG A 13 -7.386 12.867 2.347 1.00 0.00 C ATOM 160 CG ARG A 13 -8.734 13.581 2.551 1.00 0.00 C ATOM 161 CD ARG A 13 -9.672 13.303 1.365 1.00 0.00 C ATOM 162 NE ARG A 13 -10.944 12.662 1.837 1.00 0.00 N ATOM 163 CZ ARG A 13 -10.935 11.667 2.689 1.00 0.00 C ATOM 164 NH1 ARG A 13 -9.808 11.172 3.119 1.00 0.00 N ATOM 165 NH2 ARG A 13 -12.064 11.157 3.100 1.00 0.00 N ATOM 0 H ARG A 13 -6.107 11.721 0.315 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.054 14.502 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.558 11.829 2.064 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -6.830 12.854 3.284 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.197 13.240 3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.573 14.654 2.652 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.898 14.235 0.847 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.175 12.652 0.646 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.837 13.009 1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.923 11.560 2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.811 10.397 3.782 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.948 11.533 2.758 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.062 10.382 3.763 1.00 0.00 H new ATOM 179 N PRO A 14 -4.883 15.102 2.158 1.00 0.00 N ATOM 180 CA PRO A 14 -3.560 15.473 2.679 1.00 0.00 C ATOM 181 C PRO A 14 -3.185 14.593 3.871 1.00 0.00 C ATOM 182 O PRO A 14 -3.793 14.656 4.921 1.00 0.00 O ATOM 183 CB PRO A 14 -3.691 16.946 3.083 1.00 0.00 C ATOM 184 CG PRO A 14 -5.093 17.430 2.647 1.00 0.00 C ATOM 185 CD PRO A 14 -5.853 16.214 2.085 1.00 0.00 C ATOM 0 HA PRO A 14 -2.769 15.331 1.943 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.565 17.060 4.160 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.914 17.544 2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.630 17.859 3.493 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.010 18.212 1.892 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.747 16.000 2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.179 16.389 1.060 1.00 0.00 H new ATOM 193 N ILE A 15 -2.180 13.776 3.711 1.00 0.00 N ATOM 194 CA ILE A 15 -1.758 12.894 4.839 1.00 0.00 C ATOM 195 C ILE A 15 -1.110 13.761 5.921 1.00 0.00 C ATOM 196 O ILE A 15 -0.682 14.867 5.658 1.00 0.00 O ATOM 197 CB ILE A 15 -0.771 11.833 4.336 1.00 0.00 C ATOM 198 CG1 ILE A 15 -1.472 10.927 3.317 1.00 0.00 C ATOM 199 CG2 ILE A 15 -0.287 10.980 5.512 1.00 0.00 C ATOM 200 CD1 ILE A 15 -0.451 10.414 2.297 1.00 0.00 C ATOM 0 H ILE A 15 -1.635 13.680 2.854 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.624 12.380 5.255 1.00 0.00 H new ATOM 0 HB ILE A 15 0.080 12.328 3.868 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.945 10.088 3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.263 11.478 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.414 10.227 5.151 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.210 11.617 6.244 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.140 10.487 5.979 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.951 9.770 1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.002 11.259 1.779 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.324 9.847 2.812 1.00 0.00 H new ATOM 212 N GLU A 16 -1.049 13.290 7.138 1.00 0.00 N ATOM 213 CA GLU A 16 -0.442 14.133 8.215 1.00 0.00 C ATOM 214 C GLU A 16 -0.044 13.270 9.415 1.00 0.00 C ATOM 215 O GLU A 16 -0.538 13.440 10.511 1.00 0.00 O ATOM 216 CB GLU A 16 -1.451 15.195 8.657 1.00 0.00 C ATOM 217 CG GLU A 16 -2.854 14.586 8.696 1.00 0.00 C ATOM 218 CD GLU A 16 -3.776 15.470 9.537 1.00 0.00 C ATOM 219 OE1 GLU A 16 -3.503 16.656 9.630 1.00 0.00 O ATOM 220 OE2 GLU A 16 -4.739 14.948 10.073 1.00 0.00 O ATOM 0 H GLU A 16 -1.386 12.374 7.432 1.00 0.00 H new ATOM 0 HA GLU A 16 0.453 14.615 7.822 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.183 15.579 9.641 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.430 16.040 7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.248 14.492 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.813 13.582 9.117 1.00 0.00 H new ATOM 227 N GLY A 17 0.858 12.359 9.209 1.00 0.00 N ATOM 228 CA GLY A 17 1.324 11.479 10.318 1.00 0.00 C ATOM 229 C GLY A 17 2.425 10.591 9.763 1.00 0.00 C ATOM 230 O GLY A 17 3.542 11.019 9.558 1.00 0.00 O ATOM 0 H GLY A 17 1.301 12.181 8.308 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.696 12.076 11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.501 10.876 10.701 1.00 0.00 H new ATOM 234 N ARG A 18 2.098 9.370 9.472 1.00 0.00 N ATOM 235 CA ARG A 18 3.098 8.449 8.872 1.00 0.00 C ATOM 236 C ARG A 18 2.648 8.186 7.441 1.00 0.00 C ATOM 237 O ARG A 18 1.513 7.832 7.193 1.00 0.00 O ATOM 238 CB ARG A 18 3.154 7.143 9.658 1.00 0.00 C ATOM 239 CG ARG A 18 3.961 7.350 10.940 1.00 0.00 C ATOM 240 CD ARG A 18 4.237 5.997 11.605 1.00 0.00 C ATOM 241 NE ARG A 18 5.664 5.936 12.028 1.00 0.00 N ATOM 242 CZ ARG A 18 6.054 5.027 12.879 1.00 0.00 C ATOM 243 NH1 ARG A 18 5.194 4.174 13.363 1.00 0.00 N ATOM 244 NH2 ARG A 18 7.306 4.971 13.245 1.00 0.00 N ATOM 0 H ARG A 18 1.174 8.965 9.624 1.00 0.00 H new ATOM 0 HA ARG A 18 4.096 8.887 8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.145 6.810 9.901 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.610 6.361 9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.901 7.852 10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.413 7.997 11.625 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.584 5.863 12.468 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.017 5.186 10.910 1.00 0.00 H new ATOM 0 HE ARG A 18 6.336 6.605 11.652 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.216 4.217 13.076 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.499 3.464 14.028 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.979 5.638 12.866 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.612 4.261 13.910 1.00 0.00 H new ATOM 258 N VAL A 19 3.510 8.404 6.493 1.00 0.00 N ATOM 259 CA VAL A 19 3.111 8.221 5.069 1.00 0.00 C ATOM 260 C VAL A 19 3.700 6.940 4.492 1.00 0.00 C ATOM 261 O VAL A 19 4.691 6.422 4.966 1.00 0.00 O ATOM 262 CB VAL A 19 3.629 9.410 4.254 1.00 0.00 C ATOM 263 CG1 VAL A 19 3.140 9.305 2.803 1.00 0.00 C ATOM 264 CG2 VAL A 19 3.111 10.714 4.867 1.00 0.00 C ATOM 0 H VAL A 19 4.475 8.701 6.640 1.00 0.00 H new ATOM 0 HA VAL A 19 2.024 8.157 5.020 1.00 0.00 H new ATOM 0 HB VAL A 19 4.719 9.402 4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.513 10.155 2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.509 8.380 2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.050 9.306 2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.480 11.560 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.021 10.714 4.856 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.463 10.798 5.895 1.00 0.00 H new ATOM 274 N VAL A 20 3.102 6.449 3.439 1.00 0.00 N ATOM 275 CA VAL A 20 3.618 5.226 2.774 1.00 0.00 C ATOM 276 C VAL A 20 3.905 5.597 1.325 1.00 0.00 C ATOM 277 O VAL A 20 3.016 5.955 0.584 1.00 0.00 O ATOM 278 CB VAL A 20 2.572 4.111 2.833 1.00 0.00 C ATOM 279 CG1 VAL A 20 2.866 3.070 1.745 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.630 3.441 4.206 1.00 0.00 C ATOM 0 H VAL A 20 2.269 6.851 3.010 1.00 0.00 H new ATOM 0 HA VAL A 20 4.518 4.864 3.271 1.00 0.00 H new ATOM 0 HB VAL A 20 1.580 4.532 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.120 2.277 1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.831 3.547 0.766 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.857 2.645 1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.887 2.645 4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.623 3.020 4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.422 4.179 4.980 1.00 0.00 H new ATOM 290 N ASN A 21 5.137 5.546 0.920 1.00 0.00 N ATOM 291 CA ASN A 21 5.465 5.929 -0.478 1.00 0.00 C ATOM 292 C ASN A 21 5.398 4.702 -1.382 1.00 0.00 C ATOM 293 O ASN A 21 6.260 3.846 -1.355 1.00 0.00 O ATOM 294 CB ASN A 21 6.867 6.527 -0.523 1.00 0.00 C ATOM 295 CG ASN A 21 6.859 7.901 0.152 1.00 0.00 C ATOM 296 OD1 ASN A 21 7.472 8.831 -0.333 1.00 0.00 O ATOM 297 ND2 ASN A 21 6.186 8.067 1.257 1.00 0.00 N ATOM 0 H ASN A 21 5.930 5.257 1.492 1.00 0.00 H new ATOM 0 HA ASN A 21 4.744 6.667 -0.829 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.572 5.866 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.201 6.620 -1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.174 8.978 1.715 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.672 7.285 1.663 1.00 0.00 H new ATOM 304 N ALA A 22 4.379 4.618 -2.188 1.00 0.00 N ATOM 305 CA ALA A 22 4.242 3.457 -3.108 1.00 0.00 C ATOM 306 C ALA A 22 3.613 3.939 -4.413 1.00 0.00 C ATOM 307 O ALA A 22 3.000 4.986 -4.459 1.00 0.00 O ATOM 308 CB ALA A 22 3.343 2.401 -2.464 1.00 0.00 C ATOM 0 H ALA A 22 3.630 5.308 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 22 5.220 3.020 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.242 1.550 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.786 2.070 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.360 2.829 -2.270 1.00 0.00 H new ATOM 314 N MET A 23 3.762 3.197 -5.475 1.00 0.00 N ATOM 315 CA MET A 23 3.171 3.640 -6.765 1.00 0.00 C ATOM 316 C MET A 23 3.753 4.999 -7.106 1.00 0.00 C ATOM 317 O MET A 23 3.254 5.722 -7.945 1.00 0.00 O ATOM 318 CB MET A 23 1.654 3.766 -6.622 1.00 0.00 C ATOM 319 CG MET A 23 1.100 2.550 -5.879 1.00 0.00 C ATOM 320 SD MET A 23 1.320 1.079 -6.906 1.00 0.00 S ATOM 321 CE MET A 23 1.353 -0.139 -5.570 1.00 0.00 C ATOM 0 H MET A 23 4.264 2.310 -5.504 1.00 0.00 H new ATOM 0 HA MET A 23 3.395 2.916 -7.549 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.405 4.679 -6.080 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.192 3.844 -7.606 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.615 2.424 -4.927 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.044 2.696 -5.653 1.00 0.00 H new ATOM 0 HE1 MET A 23 1.710 -1.094 -5.957 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.021 0.205 -4.780 1.00 0.00 H new ATOM 0 HE3 MET A 23 0.348 -0.264 -5.166 1.00 0.00 H new ATOM 331 N GLY A 24 4.797 5.348 -6.430 1.00 0.00 N ATOM 332 CA GLY A 24 5.432 6.670 -6.664 1.00 0.00 C ATOM 333 C GLY A 24 4.527 7.736 -6.056 1.00 0.00 C ATOM 334 O GLY A 24 4.606 8.906 -6.377 1.00 0.00 O ATOM 0 H GLY A 24 5.246 4.773 -5.717 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.422 6.704 -6.209 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.566 6.846 -7.731 1.00 0.00 H new ATOM 338 N LYS A 25 3.653 7.316 -5.182 1.00 0.00 N ATOM 339 CA LYS A 25 2.701 8.258 -4.531 1.00 0.00 C ATOM 340 C LYS A 25 2.902 8.234 -3.018 1.00 0.00 C ATOM 341 O LYS A 25 3.955 7.901 -2.514 1.00 0.00 O ATOM 342 CB LYS A 25 1.270 7.803 -4.839 1.00 0.00 C ATOM 343 CG LYS A 25 0.991 7.902 -6.346 1.00 0.00 C ATOM 344 CD LYS A 25 -0.328 8.651 -6.579 1.00 0.00 C ATOM 345 CE LYS A 25 -0.093 10.158 -6.462 1.00 0.00 C ATOM 346 NZ LYS A 25 0.575 10.655 -7.699 1.00 0.00 N ATOM 0 H LYS A 25 3.558 6.344 -4.888 1.00 0.00 H new ATOM 0 HA LYS A 25 2.874 9.266 -4.908 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.128 6.776 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.559 8.420 -4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.809 8.423 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.936 6.904 -6.782 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.724 8.411 -7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.072 8.332 -5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.042 10.674 -6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.525 10.374 -5.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.464 11.687 -7.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.587 10.417 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.141 10.208 -8.532 1.00 0.00 H new ATOM 360 N GLN A 26 1.873 8.577 -2.305 1.00 0.00 N ATOM 361 CA GLN A 26 1.913 8.585 -0.822 1.00 0.00 C ATOM 362 C GLN A 26 0.599 7.956 -0.361 1.00 0.00 C ATOM 363 O GLN A 26 -0.418 8.129 -1.001 1.00 0.00 O ATOM 364 CB GLN A 26 2.013 10.035 -0.345 1.00 0.00 C ATOM 365 CG GLN A 26 3.471 10.513 -0.492 1.00 0.00 C ATOM 366 CD GLN A 26 3.520 12.003 -0.849 1.00 0.00 C ATOM 367 OE1 GLN A 26 4.588 12.563 -1.003 1.00 0.00 O ATOM 368 NE2 GLN A 26 2.412 12.674 -0.988 1.00 0.00 N ATOM 0 H GLN A 26 0.977 8.861 -2.702 1.00 0.00 H new ATOM 0 HA GLN A 26 2.765 8.035 -0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.348 10.670 -0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.695 10.112 0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.011 10.339 0.438 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.973 9.932 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.514 12.208 -0.860 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.443 13.666 -1.225 1.00 0.00 H new ATOM 377 N TRP A 27 0.593 7.197 0.699 1.00 0.00 N ATOM 378 CA TRP A 27 -0.686 6.550 1.113 1.00 0.00 C ATOM 379 C TRP A 27 -0.816 6.544 2.632 1.00 0.00 C ATOM 380 O TRP A 27 0.131 6.263 3.340 1.00 0.00 O ATOM 381 CB TRP A 27 -0.682 5.108 0.601 1.00 0.00 C ATOM 382 CG TRP A 27 -0.459 5.099 -0.878 1.00 0.00 C ATOM 383 CD1 TRP A 27 0.747 5.159 -1.490 1.00 0.00 C ATOM 384 CD2 TRP A 27 -1.449 5.024 -1.936 1.00 0.00 C ATOM 385 NE1 TRP A 27 0.554 5.131 -2.861 1.00 0.00 N ATOM 386 CE2 TRP A 27 -0.785 5.051 -3.184 1.00 0.00 C ATOM 387 CE3 TRP A 27 -2.845 4.939 -1.928 1.00 0.00 C ATOM 388 CZ2 TRP A 27 -1.492 4.996 -4.385 1.00 0.00 C ATOM 389 CZ3 TRP A 27 -3.561 4.882 -3.130 1.00 0.00 C ATOM 390 CH2 TRP A 27 -2.886 4.912 -4.358 1.00 0.00 C ATOM 0 H TRP A 27 1.402 6.998 1.288 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.526 7.106 0.696 1.00 0.00 H new ATOM 0 HB2 TRP A 27 0.101 4.537 1.100 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -1.630 4.625 0.839 1.00 0.00 H new ATOM 0 HD1 TRP A 27 1.703 5.219 -0.991 1.00 0.00 H new ATOM 0 HE1 TRP A 27 1.308 5.165 -3.547 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -3.375 4.917 -0.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -0.966 5.018 -5.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -4.639 4.815 -3.111 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -3.443 4.870 -5.282 1.00 0.00 H new ATOM 401 N HIS A 28 -1.989 6.814 3.151 1.00 0.00 N ATOM 402 CA HIS A 28 -2.143 6.769 4.630 1.00 0.00 C ATOM 403 C HIS A 28 -1.686 5.380 5.071 1.00 0.00 C ATOM 404 O HIS A 28 -2.038 4.387 4.466 1.00 0.00 O ATOM 405 CB HIS A 28 -3.610 6.963 5.030 1.00 0.00 C ATOM 406 CG HIS A 28 -3.968 8.423 5.008 1.00 0.00 C ATOM 407 ND1 HIS A 28 -4.890 8.940 4.113 1.00 0.00 N ATOM 408 CD2 HIS A 28 -3.550 9.483 5.771 1.00 0.00 C ATOM 409 CE1 HIS A 28 -4.997 10.259 4.355 1.00 0.00 C ATOM 410 NE2 HIS A 28 -4.202 10.642 5.356 1.00 0.00 N ATOM 0 H HIS A 28 -2.828 7.058 2.624 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.559 7.562 5.098 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.256 6.413 4.346 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.779 6.555 6.026 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.826 9.428 6.571 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.646 10.926 3.807 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -4.095 11.582 5.736 1.00 0.00 H new ATOM 418 N VAL A 29 -0.904 5.288 6.098 1.00 0.00 N ATOM 419 CA VAL A 29 -0.433 3.952 6.538 1.00 0.00 C ATOM 420 C VAL A 29 -1.640 3.047 6.763 1.00 0.00 C ATOM 421 O VAL A 29 -1.531 1.837 6.780 1.00 0.00 O ATOM 422 CB VAL A 29 0.350 4.108 7.838 1.00 0.00 C ATOM 423 CG1 VAL A 29 0.463 2.754 8.542 1.00 0.00 C ATOM 424 CG2 VAL A 29 1.746 4.641 7.516 1.00 0.00 C ATOM 0 H VAL A 29 -0.569 6.076 6.653 1.00 0.00 H new ATOM 0 HA VAL A 29 0.211 3.509 5.778 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.168 4.805 8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.023 2.872 9.470 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.535 2.376 8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.981 2.048 7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.314 4.756 8.439 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.260 3.940 6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.661 5.608 7.020 1.00 0.00 H new ATOM 434 N GLU A 30 -2.791 3.628 6.951 1.00 0.00 N ATOM 435 CA GLU A 30 -4.008 2.807 7.193 1.00 0.00 C ATOM 436 C GLU A 30 -4.728 2.510 5.872 1.00 0.00 C ATOM 437 O GLU A 30 -5.419 1.518 5.748 1.00 0.00 O ATOM 438 CB GLU A 30 -4.965 3.565 8.124 1.00 0.00 C ATOM 439 CG GLU A 30 -4.171 4.488 9.050 1.00 0.00 C ATOM 440 CD GLU A 30 -3.183 3.661 9.874 1.00 0.00 C ATOM 441 OE1 GLU A 30 -3.603 2.666 10.442 1.00 0.00 O ATOM 442 OE2 GLU A 30 -2.024 4.037 9.923 1.00 0.00 O ATOM 0 H GLU A 30 -2.941 4.637 6.947 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.705 1.867 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.673 4.148 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.548 2.858 8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.636 5.235 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.849 5.028 9.711 1.00 0.00 H new ATOM 449 N HIS A 31 -4.598 3.367 4.894 1.00 0.00 N ATOM 450 CA HIS A 31 -5.308 3.129 3.599 1.00 0.00 C ATOM 451 C HIS A 31 -4.405 2.400 2.610 1.00 0.00 C ATOM 452 O HIS A 31 -4.851 1.971 1.564 1.00 0.00 O ATOM 453 CB HIS A 31 -5.753 4.470 3.009 1.00 0.00 C ATOM 454 CG HIS A 31 -6.552 5.215 4.043 1.00 0.00 C ATOM 455 ND1 HIS A 31 -6.705 6.598 4.032 1.00 0.00 N ATOM 456 CD2 HIS A 31 -7.261 4.772 5.134 1.00 0.00 C ATOM 457 CE1 HIS A 31 -7.481 6.924 5.082 1.00 0.00 C ATOM 458 NE2 HIS A 31 -7.846 5.851 5.785 1.00 0.00 N ATOM 0 H HIS A 31 -4.035 4.217 4.933 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.180 2.503 3.788 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.885 5.057 2.709 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.353 4.308 2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.350 3.740 5.439 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.773 7.935 5.326 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.430 5.828 6.621 1.00 0.00 H new ATOM 466 N PHE A 32 -3.155 2.216 2.924 1.00 0.00 N ATOM 467 CA PHE A 32 -2.288 1.470 1.976 1.00 0.00 C ATOM 468 C PHE A 32 -2.545 -0.008 2.208 1.00 0.00 C ATOM 469 O PHE A 32 -2.155 -0.569 3.212 1.00 0.00 O ATOM 470 CB PHE A 32 -0.809 1.781 2.202 1.00 0.00 C ATOM 471 CG PHE A 32 -0.038 1.294 0.997 1.00 0.00 C ATOM 472 CD1 PHE A 32 -0.299 1.841 -0.266 1.00 0.00 C ATOM 473 CD2 PHE A 32 0.919 0.282 1.134 1.00 0.00 C ATOM 474 CE1 PHE A 32 0.394 1.380 -1.387 1.00 0.00 C ATOM 475 CE2 PHE A 32 1.610 -0.181 0.008 1.00 0.00 C ATOM 476 CZ PHE A 32 1.349 0.367 -1.251 1.00 0.00 C ATOM 0 H PHE A 32 -2.704 2.543 3.778 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.522 1.762 0.952 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.662 2.852 2.341 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.451 1.290 3.107 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.038 2.621 -0.373 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.124 -0.141 2.106 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.193 1.805 -2.359 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.347 -0.964 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.884 0.009 -2.118 1.00 0.00 H new ATOM 486 N VAL A 33 -3.248 -0.630 1.311 1.00 0.00 N ATOM 487 CA VAL A 33 -3.595 -2.061 1.495 1.00 0.00 C ATOM 488 C VAL A 33 -3.348 -2.854 0.223 1.00 0.00 C ATOM 489 O VAL A 33 -3.032 -2.323 -0.822 1.00 0.00 O ATOM 490 CB VAL A 33 -5.083 -2.163 1.826 1.00 0.00 C ATOM 491 CG1 VAL A 33 -5.415 -1.340 3.080 1.00 0.00 C ATOM 492 CG2 VAL A 33 -5.891 -1.633 0.635 1.00 0.00 C ATOM 0 H VAL A 33 -3.600 -0.206 0.452 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.974 -2.465 2.295 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.337 -3.205 2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.479 -1.425 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.839 -1.716 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.163 -0.294 2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.956 -1.700 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.625 -0.593 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.668 -2.229 -0.250 1.00 0.00 H new ATOM 502 N CYS A 34 -3.528 -4.134 0.322 1.00 0.00 N ATOM 503 CA CYS A 34 -3.354 -5.022 -0.849 1.00 0.00 C ATOM 504 C CYS A 34 -4.402 -4.668 -1.904 1.00 0.00 C ATOM 505 O CYS A 34 -5.495 -4.244 -1.589 1.00 0.00 O ATOM 506 CB CYS A 34 -3.557 -6.458 -0.385 1.00 0.00 C ATOM 507 SG CYS A 34 -3.945 -7.524 -1.795 1.00 0.00 S ATOM 0 H CYS A 34 -3.794 -4.612 1.183 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.360 -4.904 -1.280 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -2.657 -6.817 0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.365 -6.501 0.345 1.00 0.00 H new ATOM 512 N ALA A 35 -4.076 -4.833 -3.153 1.00 0.00 N ATOM 513 CA ALA A 35 -5.048 -4.502 -4.226 1.00 0.00 C ATOM 514 C ALA A 35 -5.885 -5.743 -4.567 1.00 0.00 C ATOM 515 O ALA A 35 -6.363 -5.896 -5.674 1.00 0.00 O ATOM 516 CB ALA A 35 -4.272 -4.038 -5.455 1.00 0.00 C ATOM 0 H ALA A 35 -3.175 -5.184 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.720 -3.711 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.971 -3.790 -6.254 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.683 -3.157 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.607 -4.835 -5.788 1.00 0.00 H new ATOM 522 N LYS A 36 -6.065 -6.629 -3.619 1.00 0.00 N ATOM 523 CA LYS A 36 -6.875 -7.865 -3.877 1.00 0.00 C ATOM 524 C LYS A 36 -7.784 -8.158 -2.680 1.00 0.00 C ATOM 525 O LYS A 36 -8.869 -8.684 -2.833 1.00 0.00 O ATOM 526 CB LYS A 36 -5.938 -9.064 -4.084 1.00 0.00 C ATOM 527 CG LYS A 36 -6.754 -10.332 -4.363 1.00 0.00 C ATOM 528 CD LYS A 36 -7.565 -10.158 -5.653 1.00 0.00 C ATOM 529 CE LYS A 36 -7.875 -11.532 -6.253 1.00 0.00 C ATOM 530 NZ LYS A 36 -8.336 -12.452 -5.175 1.00 0.00 N ATOM 0 H LYS A 36 -5.686 -6.552 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.481 -7.704 -4.769 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.262 -8.867 -4.916 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.319 -9.208 -3.198 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.088 -11.190 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.423 -10.535 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.492 -9.624 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.005 -9.555 -6.368 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.643 -11.440 -7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.987 -11.938 -6.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.886 -13.229 -5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.512 -12.842 -4.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.932 -11.928 -4.503 1.00 0.00 H new ATOM 544 N CYS A 37 -7.343 -7.847 -1.490 1.00 0.00 N ATOM 545 CA CYS A 37 -8.173 -8.135 -0.278 1.00 0.00 C ATOM 546 C CYS A 37 -8.339 -6.869 0.561 1.00 0.00 C ATOM 547 O CYS A 37 -9.132 -6.826 1.480 1.00 0.00 O ATOM 548 CB CYS A 37 -7.466 -9.201 0.556 1.00 0.00 C ATOM 549 SG CYS A 37 -5.842 -8.583 1.040 1.00 0.00 S ATOM 0 H CYS A 37 -6.443 -7.405 -1.302 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.158 -8.485 -0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.057 -9.441 1.440 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.363 -10.122 -0.018 1.00 0.00 H new ATOM 554 N GLU A 38 -7.595 -5.841 0.261 1.00 0.00 N ATOM 555 CA GLU A 38 -7.709 -4.587 1.044 1.00 0.00 C ATOM 556 C GLU A 38 -7.255 -4.834 2.479 1.00 0.00 C ATOM 557 O GLU A 38 -7.897 -4.421 3.424 1.00 0.00 O ATOM 558 CB GLU A 38 -9.156 -4.082 1.032 1.00 0.00 C ATOM 559 CG GLU A 38 -9.744 -4.237 -0.373 1.00 0.00 C ATOM 560 CD GLU A 38 -10.972 -3.335 -0.517 1.00 0.00 C ATOM 561 OE1 GLU A 38 -12.057 -3.789 -0.193 1.00 0.00 O ATOM 562 OE2 GLU A 38 -10.806 -2.205 -0.947 1.00 0.00 O ATOM 0 H GLU A 38 -6.912 -5.819 -0.496 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.071 -3.828 0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.753 -4.643 1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.189 -3.036 1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.997 -3.974 -1.122 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.021 -5.276 -0.550 1.00 0.00 H new ATOM 569 N LYS A 39 -6.135 -5.483 2.644 1.00 0.00 N ATOM 570 CA LYS A 39 -5.601 -5.738 4.010 1.00 0.00 C ATOM 571 C LYS A 39 -4.461 -4.731 4.251 1.00 0.00 C ATOM 572 O LYS A 39 -3.413 -4.849 3.646 1.00 0.00 O ATOM 573 CB LYS A 39 -5.062 -7.170 4.082 1.00 0.00 C ATOM 574 CG LYS A 39 -4.961 -7.625 5.547 1.00 0.00 C ATOM 575 CD LYS A 39 -5.721 -8.942 5.737 1.00 0.00 C ATOM 576 CE LYS A 39 -5.426 -9.506 7.128 1.00 0.00 C ATOM 577 NZ LYS A 39 -5.935 -8.565 8.164 1.00 0.00 N ATOM 0 H LYS A 39 -5.563 -5.850 1.884 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.378 -5.622 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.719 -7.842 3.529 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.081 -7.222 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.915 -7.755 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -5.373 -6.859 6.204 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.792 -8.776 5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.424 -9.659 4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -5.898 -10.482 7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.353 -9.654 7.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.937 -9.037 9.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.321 -7.727 8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.903 -8.273 7.922 1.00 0.00 H new ATOM 591 N PRO A 40 -4.702 -3.741 5.080 1.00 0.00 N ATOM 592 CA PRO A 40 -3.705 -2.683 5.340 1.00 0.00 C ATOM 593 C PRO A 40 -2.470 -3.214 6.059 1.00 0.00 C ATOM 594 O PRO A 40 -2.548 -4.005 6.977 1.00 0.00 O ATOM 595 CB PRO A 40 -4.425 -1.669 6.232 1.00 0.00 C ATOM 596 CG PRO A 40 -5.800 -2.265 6.603 1.00 0.00 C ATOM 597 CD PRO A 40 -5.966 -3.583 5.828 1.00 0.00 C ATOM 0 HA PRO A 40 -3.347 -2.254 4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.841 -1.466 7.130 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.548 -0.720 5.711 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.862 -2.443 7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.599 -1.569 6.348 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.133 -4.421 6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.822 -3.541 5.154 1.00 0.00 H new ATOM 605 N PHE A 41 -1.331 -2.735 5.656 1.00 0.00 N ATOM 606 CA PHE A 41 -0.059 -3.150 6.320 1.00 0.00 C ATOM 607 C PHE A 41 0.315 -2.108 7.376 1.00 0.00 C ATOM 608 O PHE A 41 1.390 -1.544 7.343 1.00 0.00 O ATOM 609 CB PHE A 41 1.076 -3.246 5.300 1.00 0.00 C ATOM 610 CG PHE A 41 0.534 -3.700 3.972 1.00 0.00 C ATOM 611 CD1 PHE A 41 -0.050 -2.775 3.102 1.00 0.00 C ATOM 612 CD2 PHE A 41 0.630 -5.045 3.607 1.00 0.00 C ATOM 613 CE1 PHE A 41 -0.541 -3.198 1.861 1.00 0.00 C ATOM 614 CE2 PHE A 41 0.139 -5.468 2.371 1.00 0.00 C ATOM 615 CZ PHE A 41 -0.447 -4.546 1.496 1.00 0.00 C ATOM 0 H PHE A 41 -1.221 -2.070 4.891 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.206 -4.127 6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.562 -2.277 5.192 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.834 -3.946 5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -0.122 -1.736 3.387 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.084 -5.757 4.281 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.992 -2.485 1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.211 -6.508 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.826 -4.875 0.540 1.00 0.00 H new ATOM 625 N LEU A 42 -0.559 -1.842 8.305 1.00 0.00 N ATOM 626 CA LEU A 42 -0.243 -0.827 9.356 1.00 0.00 C ATOM 627 C LEU A 42 1.224 -0.968 9.760 1.00 0.00 C ATOM 628 O LEU A 42 1.993 -0.029 9.698 1.00 0.00 O ATOM 629 CB LEU A 42 -1.130 -1.076 10.580 1.00 0.00 C ATOM 630 CG LEU A 42 -2.454 -0.325 10.413 1.00 0.00 C ATOM 631 CD1 LEU A 42 -3.130 -0.798 9.139 1.00 0.00 C ATOM 632 CD2 LEU A 42 -3.372 -0.608 11.602 1.00 0.00 C ATOM 0 H LEU A 42 -1.477 -2.280 8.385 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.425 0.176 8.969 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.317 -2.144 10.695 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.622 -0.742 11.485 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.257 0.746 10.361 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.074 -0.269 9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.482 -0.596 8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.320 -1.869 9.204 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.311 -0.069 11.473 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.573 -1.678 11.660 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.888 -0.279 12.522 1.00 0.00 H new ATOM 644 N GLY A 43 1.611 -2.143 10.159 1.00 0.00 N ATOM 645 CA GLY A 43 3.027 -2.380 10.559 1.00 0.00 C ATOM 646 C GLY A 43 3.511 -3.682 9.922 1.00 0.00 C ATOM 647 O GLY A 43 4.343 -4.379 10.467 1.00 0.00 O ATOM 0 H GLY A 43 1.003 -2.959 10.227 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.654 -1.548 10.238 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.107 -2.439 11.644 1.00 0.00 H new ATOM 651 N HIS A 44 2.985 -4.016 8.773 1.00 0.00 N ATOM 652 CA HIS A 44 3.401 -5.280 8.092 1.00 0.00 C ATOM 653 C HIS A 44 4.079 -4.956 6.757 1.00 0.00 C ATOM 654 O HIS A 44 4.203 -3.810 6.371 1.00 0.00 O ATOM 655 CB HIS A 44 2.166 -6.154 7.836 1.00 0.00 C ATOM 656 CG HIS A 44 1.150 -5.922 8.921 1.00 0.00 C ATOM 657 ND1 HIS A 44 -0.209 -5.852 8.658 1.00 0.00 N ATOM 658 CD2 HIS A 44 1.280 -5.741 10.274 1.00 0.00 C ATOM 659 CE1 HIS A 44 -0.837 -5.638 9.828 1.00 0.00 C ATOM 660 NE2 HIS A 44 0.024 -5.562 10.846 1.00 0.00 N ATOM 0 H HIS A 44 2.284 -3.468 8.275 1.00 0.00 H new ATOM 0 HA HIS A 44 4.104 -5.815 8.731 1.00 0.00 H new ATOM 0 HB2 HIS A 44 1.735 -5.916 6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 44 2.451 -7.206 7.810 1.00 0.00 H new ATOM 0 HD2 HIS A 44 2.215 -5.738 10.814 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.908 -5.540 9.932 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -0.192 -5.406 11.831 1.00 0.00 H new ATOM 668 N ARG A 45 4.518 -5.963 6.052 1.00 0.00 N ATOM 669 CA ARG A 45 5.191 -5.734 4.738 1.00 0.00 C ATOM 670 C ARG A 45 4.166 -5.888 3.611 1.00 0.00 C ATOM 671 O ARG A 45 3.252 -6.683 3.700 1.00 0.00 O ATOM 672 CB ARG A 45 6.310 -6.769 4.559 1.00 0.00 C ATOM 673 CG ARG A 45 6.695 -6.884 3.079 1.00 0.00 C ATOM 674 CD ARG A 45 8.010 -7.659 2.945 1.00 0.00 C ATOM 675 NE ARG A 45 8.163 -8.589 4.100 1.00 0.00 N ATOM 676 CZ ARG A 45 9.038 -9.556 4.050 1.00 0.00 C ATOM 677 NH1 ARG A 45 9.780 -9.707 2.987 1.00 0.00 N ATOM 678 NH2 ARG A 45 9.172 -10.369 5.060 1.00 0.00 N ATOM 0 H ARG A 45 4.440 -6.941 6.330 1.00 0.00 H new ATOM 0 HA ARG A 45 5.614 -4.730 4.709 1.00 0.00 H new ATOM 0 HB2 ARG A 45 7.181 -6.479 5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.981 -7.739 4.933 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.905 -7.392 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.801 -5.891 2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.020 -8.220 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.850 -6.966 2.910 1.00 0.00 H new ATOM 0 HE ARG A 45 7.583 -8.469 4.930 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.675 -9.070 2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.464 -10.462 2.946 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.593 -10.250 5.891 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.856 -11.124 5.019 1.00 0.00 H new ATOM 692 N HIS A 46 4.318 -5.144 2.544 1.00 0.00 N ATOM 693 CA HIS A 46 3.359 -5.262 1.406 1.00 0.00 C ATOM 694 C HIS A 46 4.093 -5.730 0.162 1.00 0.00 C ATOM 695 O HIS A 46 5.306 -5.766 0.106 1.00 0.00 O ATOM 696 CB HIS A 46 2.721 -3.911 1.094 1.00 0.00 C ATOM 697 CG HIS A 46 3.803 -2.885 0.890 1.00 0.00 C ATOM 698 ND1 HIS A 46 4.377 -2.194 1.944 1.00 0.00 N ATOM 699 CD2 HIS A 46 4.428 -2.425 -0.246 1.00 0.00 C ATOM 700 CE1 HIS A 46 5.303 -1.364 1.429 1.00 0.00 C ATOM 701 NE2 HIS A 46 5.375 -1.465 0.098 1.00 0.00 N ATOM 0 H HIS A 46 5.064 -4.461 2.413 1.00 0.00 H new ATOM 0 HA HIS A 46 2.587 -5.977 1.691 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.102 -3.986 0.200 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.066 -3.608 1.911 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.216 -2.758 -1.251 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.914 -0.697 2.020 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.991 -0.949 -0.530 1.00 0.00 H new ATOM 709 N TYR A 47 3.348 -6.087 -0.837 1.00 0.00 N ATOM 710 CA TYR A 47 3.947 -6.562 -2.107 1.00 0.00 C ATOM 711 C TYR A 47 3.227 -5.850 -3.250 1.00 0.00 C ATOM 712 O TYR A 47 2.020 -5.741 -3.249 1.00 0.00 O ATOM 713 CB TYR A 47 3.754 -8.073 -2.177 1.00 0.00 C ATOM 714 CG TYR A 47 4.095 -8.655 -0.824 1.00 0.00 C ATOM 715 CD1 TYR A 47 3.260 -8.411 0.278 1.00 0.00 C ATOM 716 CD2 TYR A 47 5.257 -9.414 -0.661 1.00 0.00 C ATOM 717 CE1 TYR A 47 3.588 -8.925 1.534 1.00 0.00 C ATOM 718 CE2 TYR A 47 5.584 -9.924 0.601 1.00 0.00 C ATOM 719 CZ TYR A 47 4.754 -9.678 1.696 1.00 0.00 C ATOM 720 OH TYR A 47 5.084 -10.180 2.938 1.00 0.00 O ATOM 0 H TYR A 47 2.328 -6.070 -0.827 1.00 0.00 H new ATOM 0 HA TYR A 47 5.013 -6.345 -2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 47 2.725 -8.313 -2.446 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.393 -8.503 -2.948 1.00 0.00 H new ATOM 0 HD1 TYR A 47 2.362 -7.824 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.901 -9.607 -1.506 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.941 -8.741 2.379 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.482 -10.510 0.728 1.00 0.00 H new ATOM 0 HH TYR A 47 5.924 -10.681 2.876 1.00 0.00 H new ATOM 730 N GLU A 48 3.951 -5.321 -4.200 1.00 0.00 N ATOM 731 CA GLU A 48 3.282 -4.566 -5.305 1.00 0.00 C ATOM 732 C GLU A 48 3.380 -5.308 -6.632 1.00 0.00 C ATOM 733 O GLU A 48 4.262 -6.113 -6.857 1.00 0.00 O ATOM 734 CB GLU A 48 3.930 -3.187 -5.436 1.00 0.00 C ATOM 735 CG GLU A 48 5.430 -3.299 -5.174 1.00 0.00 C ATOM 736 CD GLU A 48 6.032 -4.380 -6.074 1.00 0.00 C ATOM 737 OE1 GLU A 48 6.156 -4.134 -7.262 1.00 0.00 O ATOM 738 OE2 GLU A 48 6.360 -5.436 -5.558 1.00 0.00 O ATOM 0 H GLU A 48 4.968 -5.377 -4.261 1.00 0.00 H new ATOM 0 HA GLU A 48 2.225 -4.464 -5.058 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.754 -2.785 -6.434 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.478 -2.493 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.915 -2.342 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.609 -3.543 -4.127 1.00 0.00 H new ATOM 745 N ARG A 49 2.457 -5.031 -7.513 1.00 0.00 N ATOM 746 CA ARG A 49 2.454 -5.699 -8.843 1.00 0.00 C ATOM 747 C ARG A 49 1.947 -4.730 -9.917 1.00 0.00 C ATOM 748 O ARG A 49 0.974 -4.028 -9.731 1.00 0.00 O ATOM 749 CB ARG A 49 1.534 -6.919 -8.794 1.00 0.00 C ATOM 750 CG ARG A 49 1.517 -7.626 -10.167 1.00 0.00 C ATOM 751 CD ARG A 49 0.073 -7.823 -10.660 1.00 0.00 C ATOM 752 NE ARG A 49 0.018 -7.576 -12.128 1.00 0.00 N ATOM 753 CZ ARG A 49 -1.026 -7.951 -12.815 1.00 0.00 C ATOM 754 NH1 ARG A 49 -2.027 -8.533 -12.213 1.00 0.00 N ATOM 755 NH2 ARG A 49 -1.070 -7.745 -14.103 1.00 0.00 N ATOM 0 H ARG A 49 1.699 -4.365 -7.365 1.00 0.00 H new ATOM 0 HA ARG A 49 3.470 -6.008 -9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.875 -7.611 -8.024 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.524 -6.612 -8.522 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.077 -7.036 -10.892 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.015 -8.592 -10.090 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.265 -8.835 -10.437 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.598 -7.140 -10.139 1.00 0.00 H new ATOM 0 HE ARG A 49 0.797 -7.113 -12.596 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.993 -8.694 -11.206 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.844 -8.827 -12.749 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.288 -7.290 -14.574 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.887 -8.039 -14.639 1.00 0.00 H new ATOM 769 N LYS A 50 2.615 -4.698 -11.038 1.00 0.00 N ATOM 770 CA LYS A 50 2.218 -3.801 -12.157 1.00 0.00 C ATOM 771 C LYS A 50 1.838 -2.440 -11.612 1.00 0.00 C ATOM 772 O LYS A 50 1.142 -1.674 -12.248 1.00 0.00 O ATOM 773 CB LYS A 50 1.047 -4.405 -12.945 1.00 0.00 C ATOM 774 CG LYS A 50 -0.205 -4.500 -12.063 1.00 0.00 C ATOM 775 CD LYS A 50 -1.433 -4.781 -12.940 1.00 0.00 C ATOM 776 CE LYS A 50 -2.037 -3.462 -13.427 1.00 0.00 C ATOM 777 NZ LYS A 50 -3.244 -3.744 -14.254 1.00 0.00 N ATOM 0 H LYS A 50 3.438 -5.270 -11.228 1.00 0.00 H new ATOM 0 HA LYS A 50 3.064 -3.690 -12.835 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.836 -3.791 -13.821 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.319 -5.396 -13.308 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.083 -5.293 -11.325 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.345 -3.570 -11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.149 -5.398 -13.793 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.175 -5.344 -12.373 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.304 -2.836 -12.576 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.303 -2.908 -14.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.655 -2.848 -14.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.975 -4.326 -15.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.945 -4.256 -13.681 1.00 0.00 H new ATOM 791 N GLY A 51 2.303 -2.124 -10.443 1.00 0.00 N ATOM 792 CA GLY A 51 1.980 -0.798 -9.867 1.00 0.00 C ATOM 793 C GLY A 51 0.737 -0.894 -8.990 1.00 0.00 C ATOM 794 O GLY A 51 -0.015 0.051 -8.850 1.00 0.00 O ATOM 0 H GLY A 51 2.890 -2.723 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.822 -0.434 -9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.815 -0.076 -10.667 1.00 0.00 H new ATOM 798 N LEU A 52 0.527 -2.022 -8.386 1.00 0.00 N ATOM 799 CA LEU A 52 -0.647 -2.190 -7.488 1.00 0.00 C ATOM 800 C LEU A 52 -0.215 -3.006 -6.283 1.00 0.00 C ATOM 801 O LEU A 52 0.508 -3.973 -6.404 1.00 0.00 O ATOM 802 CB LEU A 52 -1.787 -2.904 -8.217 1.00 0.00 C ATOM 803 CG LEU A 52 -2.596 -1.899 -9.036 1.00 0.00 C ATOM 804 CD1 LEU A 52 -3.710 -2.646 -9.770 1.00 0.00 C ATOM 805 CD2 LEU A 52 -3.206 -0.842 -8.100 1.00 0.00 C ATOM 0 H LEU A 52 1.123 -2.845 -8.475 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.008 -1.211 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.383 -3.677 -8.871 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.435 -3.403 -7.496 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.949 -1.401 -9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.295 -1.940 -10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.272 -3.394 -10.431 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.358 -3.138 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.782 -0.126 -8.686 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.860 -1.330 -7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.408 -0.320 -7.572 1.00 0.00 H new ATOM 817 N ALA A 53 -0.630 -2.611 -5.119 1.00 0.00 N ATOM 818 CA ALA A 53 -0.213 -3.350 -3.902 1.00 0.00 C ATOM 819 C ALA A 53 -0.899 -4.705 -3.822 1.00 0.00 C ATOM 820 O ALA A 53 -2.010 -4.888 -4.274 1.00 0.00 O ATOM 821 CB ALA A 53 -0.585 -2.551 -2.657 1.00 0.00 C ATOM 0 H ALA A 53 -1.239 -1.809 -4.956 1.00 0.00 H new ATOM 0 HA ALA A 53 0.866 -3.495 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.276 -3.099 -1.767 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.081 -1.585 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.664 -2.397 -2.632 1.00 0.00 H new ATOM 827 N TYR A 54 -0.241 -5.651 -3.218 1.00 0.00 N ATOM 828 CA TYR A 54 -0.835 -6.995 -3.060 1.00 0.00 C ATOM 829 C TYR A 54 -0.231 -7.647 -1.830 1.00 0.00 C ATOM 830 O TYR A 54 0.948 -7.530 -1.580 1.00 0.00 O ATOM 831 CB TYR A 54 -0.528 -7.852 -4.281 1.00 0.00 C ATOM 832 CG TYR A 54 -1.448 -7.462 -5.396 1.00 0.00 C ATOM 833 CD1 TYR A 54 -2.758 -7.944 -5.426 1.00 0.00 C ATOM 834 CD2 TYR A 54 -0.989 -6.611 -6.398 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.613 -7.566 -6.472 1.00 0.00 C ATOM 836 CE2 TYR A 54 -1.835 -6.238 -7.434 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.149 -6.713 -7.476 1.00 0.00 C ATOM 838 OH TYR A 54 -3.986 -6.338 -8.507 1.00 0.00 O ATOM 0 H TYR A 54 0.694 -5.545 -2.824 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.916 -6.905 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.510 -7.716 -4.585 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.654 -8.908 -4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.111 -8.604 -4.648 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.025 -6.241 -6.369 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.628 -7.934 -6.501 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -1.476 -5.578 -8.210 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.505 -5.742 -9.118 1.00 0.00 H new ATOM 848 N CYS A 55 -1.011 -8.327 -1.050 1.00 0.00 N ATOM 849 CA CYS A 55 -0.434 -8.969 0.154 1.00 0.00 C ATOM 850 C CYS A 55 0.710 -9.895 -0.278 1.00 0.00 C ATOM 851 O CYS A 55 1.060 -9.968 -1.439 1.00 0.00 O ATOM 852 CB CYS A 55 -1.498 -9.806 0.862 1.00 0.00 C ATOM 853 SG CYS A 55 -2.629 -8.722 1.756 1.00 0.00 S ATOM 0 H CYS A 55 -2.012 -8.466 -1.190 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.069 -8.197 0.832 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.049 -10.402 0.135 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.025 -10.504 1.553 1.00 0.00 H new ATOM 858 N GLU A 56 1.278 -10.615 0.648 1.00 0.00 N ATOM 859 CA GLU A 56 2.385 -11.558 0.301 1.00 0.00 C ATOM 860 C GLU A 56 1.829 -12.716 -0.531 1.00 0.00 C ATOM 861 O GLU A 56 2.451 -13.187 -1.462 1.00 0.00 O ATOM 862 CB GLU A 56 2.985 -12.139 1.584 1.00 0.00 C ATOM 863 CG GLU A 56 4.244 -12.941 1.247 1.00 0.00 C ATOM 864 CD GLU A 56 5.009 -13.257 2.534 1.00 0.00 C ATOM 865 OE1 GLU A 56 4.647 -12.711 3.563 1.00 0.00 O ATOM 866 OE2 GLU A 56 5.944 -14.037 2.468 1.00 0.00 O ATOM 0 H GLU A 56 1.024 -10.593 1.636 1.00 0.00 H new ATOM 0 HA GLU A 56 3.146 -11.018 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.229 -11.336 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.256 -12.780 2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.973 -13.865 0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.877 -12.374 0.565 1.00 0.00 H new ATOM 873 N THR A 57 0.672 -13.196 -0.171 1.00 0.00 N ATOM 874 CA THR A 57 0.066 -14.350 -0.896 1.00 0.00 C ATOM 875 C THR A 57 -0.734 -13.884 -2.109 1.00 0.00 C ATOM 876 O THR A 57 -0.736 -14.529 -3.138 1.00 0.00 O ATOM 877 CB THR A 57 -0.860 -15.106 0.060 1.00 0.00 C ATOM 878 OG1 THR A 57 -0.082 -15.744 1.064 1.00 0.00 O ATOM 879 CG2 THR A 57 -1.656 -16.157 -0.715 1.00 0.00 C ATOM 0 H THR A 57 0.114 -12.835 0.603 1.00 0.00 H new ATOM 0 HA THR A 57 0.868 -14.999 -1.246 1.00 0.00 H new ATOM 0 HB THR A 57 -1.551 -14.403 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.673 -16.227 1.678 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.314 -16.693 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.254 -15.667 -1.484 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.969 -16.861 -1.184 1.00 0.00 H new ATOM 887 N HIS A 58 -1.418 -12.786 -2.012 1.00 0.00 N ATOM 888 CA HIS A 58 -2.205 -12.326 -3.174 1.00 0.00 C ATOM 889 C HIS A 58 -1.240 -11.900 -4.261 1.00 0.00 C ATOM 890 O HIS A 58 -1.360 -12.292 -5.401 1.00 0.00 O ATOM 891 CB HIS A 58 -3.106 -11.170 -2.755 1.00 0.00 C ATOM 892 CG HIS A 58 -4.094 -11.677 -1.729 1.00 0.00 C ATOM 893 ND1 HIS A 58 -4.492 -10.939 -0.613 1.00 0.00 N ATOM 894 CD2 HIS A 58 -4.769 -12.872 -1.640 1.00 0.00 C ATOM 895 CE1 HIS A 58 -5.364 -11.697 0.080 1.00 0.00 C ATOM 896 NE2 HIS A 58 -5.567 -12.880 -0.500 1.00 0.00 N ATOM 0 H HIS A 58 -1.465 -12.192 -1.184 1.00 0.00 H new ATOM 0 HA HIS A 58 -2.841 -13.126 -3.552 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.510 -10.358 -2.338 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -3.632 -10.767 -3.620 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.691 -13.683 -2.349 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.842 -11.383 0.996 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -6.177 -13.631 -0.177 1.00 0.00 H new ATOM 904 N TYR A 59 -0.250 -11.137 -3.914 1.00 0.00 N ATOM 905 CA TYR A 59 0.739 -10.734 -4.923 1.00 0.00 C ATOM 906 C TYR A 59 1.232 -11.986 -5.600 1.00 0.00 C ATOM 907 O TYR A 59 1.187 -12.140 -6.805 1.00 0.00 O ATOM 908 CB TYR A 59 1.923 -10.087 -4.223 1.00 0.00 C ATOM 909 CG TYR A 59 3.054 -9.914 -5.203 1.00 0.00 C ATOM 910 CD1 TYR A 59 2.780 -9.546 -6.521 1.00 0.00 C ATOM 911 CD2 TYR A 59 4.376 -10.127 -4.796 1.00 0.00 C ATOM 912 CE1 TYR A 59 3.819 -9.386 -7.429 1.00 0.00 C ATOM 913 CE2 TYR A 59 5.421 -9.964 -5.708 1.00 0.00 C ATOM 914 CZ TYR A 59 5.144 -9.591 -7.028 1.00 0.00 C ATOM 915 OH TYR A 59 6.174 -9.432 -7.932 1.00 0.00 O ATOM 0 H TYR A 59 -0.088 -10.778 -2.973 1.00 0.00 H new ATOM 0 HA TYR A 59 0.296 -10.039 -5.636 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.632 -9.120 -3.813 1.00 0.00 H new ATOM 0 HB3 TYR A 59 2.245 -10.705 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 59 1.759 -9.385 -6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.588 -10.417 -3.778 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.603 -9.102 -8.449 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.442 -10.126 -5.395 1.00 0.00 H new ATOM 0 HH TYR A 59 7.029 -9.612 -7.488 1.00 0.00 H new ATOM 925 N ASN A 60 1.721 -12.878 -4.805 1.00 0.00 N ATOM 926 CA ASN A 60 2.248 -14.137 -5.349 1.00 0.00 C ATOM 927 C ASN A 60 1.127 -14.902 -6.037 1.00 0.00 C ATOM 928 O ASN A 60 1.281 -15.378 -7.144 1.00 0.00 O ATOM 929 CB ASN A 60 2.833 -14.986 -4.224 1.00 0.00 C ATOM 930 CG ASN A 60 4.106 -14.326 -3.688 1.00 0.00 C ATOM 931 OD1 ASN A 60 4.828 -13.684 -4.423 1.00 0.00 O ATOM 932 ND2 ASN A 60 4.413 -14.458 -2.426 1.00 0.00 N ATOM 0 H ASN A 60 1.778 -12.786 -3.791 1.00 0.00 H new ATOM 0 HA ASN A 60 3.033 -13.914 -6.072 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.104 -15.096 -3.422 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.058 -15.988 -4.590 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.259 -14.022 -2.059 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.807 -14.997 -1.807 1.00 0.00 H new ATOM 939 N GLN A 61 -0.012 -15.011 -5.411 1.00 0.00 N ATOM 940 CA GLN A 61 -1.126 -15.735 -6.086 1.00 0.00 C ATOM 941 C GLN A 61 -1.324 -15.071 -7.437 1.00 0.00 C ATOM 942 O GLN A 61 -1.568 -15.706 -8.443 1.00 0.00 O ATOM 943 CB GLN A 61 -2.414 -15.630 -5.268 1.00 0.00 C ATOM 944 CG GLN A 61 -2.389 -16.655 -4.132 1.00 0.00 C ATOM 945 CD GLN A 61 -2.698 -18.046 -4.691 1.00 0.00 C ATOM 946 OE1 GLN A 61 -1.830 -18.892 -4.761 1.00 0.00 O ATOM 947 NE2 GLN A 61 -3.909 -18.319 -5.095 1.00 0.00 N ATOM 0 H GLN A 61 -0.218 -14.640 -4.483 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.886 -16.793 -6.191 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.517 -14.624 -4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -3.278 -15.804 -5.909 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.412 -16.655 -3.649 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.121 -16.387 -3.370 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.639 -17.609 -5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.126 -19.243 -5.469 1.00 0.00 H new ATOM 956 N LEU A 62 -1.190 -13.780 -7.449 1.00 0.00 N ATOM 957 CA LEU A 62 -1.332 -13.018 -8.714 1.00 0.00 C ATOM 958 C LEU A 62 -0.113 -13.278 -9.601 1.00 0.00 C ATOM 959 O LEU A 62 -0.224 -13.413 -10.803 1.00 0.00 O ATOM 960 CB LEU A 62 -1.416 -11.519 -8.389 1.00 0.00 C ATOM 961 CG LEU A 62 -2.879 -11.082 -8.242 1.00 0.00 C ATOM 962 CD1 LEU A 62 -3.369 -11.336 -6.816 1.00 0.00 C ATOM 963 CD2 LEU A 62 -2.988 -9.591 -8.542 1.00 0.00 C ATOM 0 H LEU A 62 -0.986 -13.213 -6.626 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.235 -13.333 -9.236 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.874 -11.310 -7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.936 -10.942 -9.179 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.491 -11.655 -8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.409 -11.021 -6.727 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.291 -12.399 -6.589 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.757 -10.769 -6.115 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.026 -9.274 -8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.367 -9.033 -7.842 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.649 -9.399 -9.560 1.00 0.00 H new ATOM 975 N PHE A 63 1.051 -13.342 -9.016 1.00 0.00 N ATOM 976 CA PHE A 63 2.282 -13.581 -9.826 1.00 0.00 C ATOM 977 C PHE A 63 3.356 -14.244 -8.965 1.00 0.00 C ATOM 978 O PHE A 63 3.533 -15.446 -8.977 1.00 0.00 O ATOM 979 CB PHE A 63 2.816 -12.238 -10.342 1.00 0.00 C ATOM 980 CG PHE A 63 2.171 -11.912 -11.665 1.00 0.00 C ATOM 981 CD1 PHE A 63 0.931 -11.271 -11.689 1.00 0.00 C ATOM 982 CD2 PHE A 63 2.808 -12.255 -12.863 1.00 0.00 C ATOM 983 CE1 PHE A 63 0.322 -10.970 -12.912 1.00 0.00 C ATOM 984 CE2 PHE A 63 2.201 -11.954 -14.088 1.00 0.00 C ATOM 985 CZ PHE A 63 0.957 -11.312 -14.112 1.00 0.00 C ATOM 0 H PHE A 63 1.205 -13.239 -8.013 1.00 0.00 H new ATOM 0 HA PHE A 63 2.036 -14.235 -10.663 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.606 -11.450 -9.619 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.899 -12.285 -10.456 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.442 -11.007 -10.763 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.767 -12.751 -12.842 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -0.637 -10.474 -12.930 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.692 -12.217 -15.014 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.487 -11.081 -15.056 1.00 0.00 H new ATOM 995 N GLY A 64 4.082 -13.456 -8.229 1.00 0.00 N ATOM 996 CA GLY A 64 5.165 -14.011 -7.368 1.00 0.00 C ATOM 997 C GLY A 64 6.388 -14.325 -8.228 1.00 0.00 C ATOM 998 O GLY A 64 7.456 -14.613 -7.726 1.00 0.00 O ATOM 0 H GLY A 64 3.973 -12.443 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.429 -13.295 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.818 -14.914 -6.866 1.00 0.00 H new ATOM 1002 N ASP A 65 6.237 -14.269 -9.520 1.00 0.00 N ATOM 1003 CA ASP A 65 7.386 -14.560 -10.425 1.00 0.00 C ATOM 1004 C ASP A 65 6.884 -14.662 -11.867 1.00 0.00 C ATOM 1005 O ASP A 65 7.623 -14.461 -12.810 1.00 0.00 O ATOM 1006 CB ASP A 65 8.043 -15.884 -10.018 1.00 0.00 C ATOM 1007 CG ASP A 65 6.979 -16.840 -9.476 1.00 0.00 C ATOM 1008 OD1 ASP A 65 5.865 -16.797 -9.974 1.00 0.00 O ATOM 1009 OD2 ASP A 65 7.293 -17.597 -8.574 1.00 0.00 O ATOM 0 H ASP A 65 5.364 -14.033 -9.992 1.00 0.00 H new ATOM 0 HA ASP A 65 8.118 -13.756 -10.349 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.545 -16.331 -10.876 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.806 -15.705 -9.260 1.00 0.00 H new ATOM 1014 N VAL A 66 5.631 -14.973 -12.041 1.00 0.00 N ATOM 1015 CA VAL A 66 5.074 -15.090 -13.419 1.00 0.00 C ATOM 1016 C VAL A 66 3.560 -15.298 -13.340 1.00 0.00 C ATOM 1017 O VAL A 66 2.890 -15.003 -14.316 1.00 0.00 O ATOM 1018 CB VAL A 66 5.715 -16.283 -14.128 1.00 0.00 C ATOM 1019 CG1 VAL A 66 5.518 -17.546 -13.288 1.00 0.00 C ATOM 1020 CG2 VAL A 66 5.056 -16.476 -15.496 1.00 0.00 C ATOM 1021 OXT VAL A 66 3.096 -15.749 -12.305 1.00 0.00 O ATOM 0 H VAL A 66 4.966 -15.152 -11.288 1.00 0.00 H new ATOM 0 HA VAL A 66 5.288 -14.178 -13.976 1.00 0.00 H new ATOM 0 HB VAL A 66 6.781 -16.096 -14.258 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.976 -18.395 -13.795 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.985 -17.411 -12.313 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.452 -17.733 -13.157 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.512 -17.326 -16.003 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.990 -16.662 -15.363 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.196 -15.578 -16.097 1.00 0.00 H new TER 1031 VAL A 66 HETATM 1032 ZN ZN A 67 -5.898 7.897 2.739 1.00 0.00 ZN HETATM 1033 ZN ZN A 68 -3.925 -9.089 -0.112 1.00 0.00 ZN