USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 8 HIS : no HD1:sc= -0.929 X(o=-0.93,f=-1.3) USER MOD Set 1.2: A 28 SER OG : rot -46:sc= 0.00189 USER MOD Single : A 1 GLY N :NH3+ -143:sc= 0.00753 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.154 X(o=0.15,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 172:sc= -0.334 (180deg=-0.42) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.752 9.340 19.742 1.00 0.00 N ATOM 2 CA GLY A 1 -10.619 9.761 18.939 1.00 0.00 C ATOM 3 C GLY A 1 -10.784 9.408 17.474 1.00 0.00 C ATOM 4 O GLY A 1 -11.877 9.525 16.920 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.939 10.051 20.478 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.590 9.241 19.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.539 8.426 20.190 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.488 10.839 19.037 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.712 9.293 19.322 1.00 0.00 H new ATOM 8 N SER A 2 -9.696 8.976 16.845 1.00 0.00 N ATOM 9 CA SER A 2 -9.723 8.611 15.434 1.00 0.00 C ATOM 10 C SER A 2 -9.203 7.191 15.230 1.00 0.00 C ATOM 11 O SER A 2 -8.180 6.979 14.580 1.00 0.00 O ATOM 12 CB SER A 2 -8.886 9.594 14.614 1.00 0.00 C ATOM 13 OG SER A 2 -9.204 9.509 13.235 1.00 0.00 O ATOM 0 H SER A 2 -8.785 8.870 17.291 1.00 0.00 H new ATOM 0 HA SER A 2 -10.758 8.654 15.094 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.061 10.610 14.969 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.826 9.384 14.760 1.00 0.00 H new ATOM 0 HG SER A 2 -8.657 10.148 12.733 1.00 0.00 H new ATOM 19 N SER A 3 -9.917 6.220 15.792 1.00 0.00 N ATOM 20 CA SER A 3 -9.527 4.820 15.676 1.00 0.00 C ATOM 21 C SER A 3 -10.708 3.901 15.975 1.00 0.00 C ATOM 22 O SER A 3 -11.600 4.248 16.748 1.00 0.00 O ATOM 23 CB SER A 3 -8.371 4.510 16.629 1.00 0.00 C ATOM 24 OG SER A 3 -8.794 4.571 17.981 1.00 0.00 O ATOM 0 H SER A 3 -10.768 6.378 16.332 1.00 0.00 H new ATOM 0 HA SER A 3 -9.201 4.643 14.651 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.974 3.518 16.413 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.561 5.220 16.466 1.00 0.00 H new ATOM 0 HG SER A 3 -8.038 4.367 18.570 1.00 0.00 H new ATOM 30 N GLY A 4 -10.706 2.724 15.356 1.00 0.00 N ATOM 31 CA GLY A 4 -11.781 1.772 15.568 1.00 0.00 C ATOM 32 C GLY A 4 -12.952 2.003 14.633 1.00 0.00 C ATOM 33 O GLY A 4 -14.101 2.065 15.071 1.00 0.00 O ATOM 0 H GLY A 4 -9.979 2.413 14.712 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.400 0.761 15.426 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.125 1.841 16.600 1.00 0.00 H new ATOM 37 N SER A 5 -12.661 2.133 13.343 1.00 0.00 N ATOM 38 CA SER A 5 -13.698 2.364 12.345 1.00 0.00 C ATOM 39 C SER A 5 -13.820 1.170 11.402 1.00 0.00 C ATOM 40 O SER A 5 -14.912 0.842 10.936 1.00 0.00 O ATOM 41 CB SER A 5 -13.393 3.631 11.545 1.00 0.00 C ATOM 42 OG SER A 5 -14.435 4.582 11.678 1.00 0.00 O ATOM 0 H SER A 5 -11.715 2.082 12.964 1.00 0.00 H new ATOM 0 HA SER A 5 -14.647 2.492 12.866 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.454 4.065 11.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.260 3.377 10.493 1.00 0.00 H new ATOM 0 HG SER A 5 -14.215 5.383 11.159 1.00 0.00 H new ATOM 48 N SER A 6 -12.692 0.526 11.124 1.00 0.00 N ATOM 49 CA SER A 6 -12.670 -0.629 10.234 1.00 0.00 C ATOM 50 C SER A 6 -11.392 -1.439 10.426 1.00 0.00 C ATOM 51 O SER A 6 -11.435 -2.655 10.609 1.00 0.00 O ATOM 52 CB SER A 6 -12.788 -0.178 8.777 1.00 0.00 C ATOM 53 OG SER A 6 -13.584 -1.078 8.027 1.00 0.00 O ATOM 0 H SER A 6 -11.781 0.784 11.502 1.00 0.00 H new ATOM 0 HA SER A 6 -13.521 -1.263 10.481 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.225 0.820 8.736 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.795 -0.109 8.333 1.00 0.00 H new ATOM 0 HG SER A 6 -13.645 -0.766 7.100 1.00 0.00 H new ATOM 59 N GLY A 7 -10.252 -0.755 10.382 1.00 0.00 N ATOM 60 CA GLY A 7 -8.977 -1.425 10.553 1.00 0.00 C ATOM 61 C GLY A 7 -7.951 -0.989 9.526 1.00 0.00 C ATOM 62 O GLY A 7 -7.071 -0.180 9.822 1.00 0.00 O ATOM 0 H GLY A 7 -10.190 0.252 10.231 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.594 -1.222 11.553 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.124 -2.503 10.481 1.00 0.00 H new ATOM 66 N HIS A 8 -8.061 -1.527 8.316 1.00 0.00 N ATOM 67 CA HIS A 8 -7.134 -1.189 7.241 1.00 0.00 C ATOM 68 C HIS A 8 -7.424 0.204 6.692 1.00 0.00 C ATOM 69 O HIS A 8 -8.536 0.715 6.825 1.00 0.00 O ATOM 70 CB HIS A 8 -7.223 -2.222 6.118 1.00 0.00 C ATOM 71 CG HIS A 8 -6.876 -3.612 6.554 1.00 0.00 C ATOM 72 ND1 HIS A 8 -7.618 -4.320 7.475 1.00 0.00 N ATOM 73 CD2 HIS A 8 -5.859 -4.427 6.187 1.00 0.00 C ATOM 74 CE1 HIS A 8 -7.072 -5.509 7.658 1.00 0.00 C ATOM 75 NE2 HIS A 8 -6.003 -5.599 6.888 1.00 0.00 N ATOM 0 H HIS A 8 -8.783 -2.199 8.055 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.124 -1.196 7.650 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.235 -2.219 5.712 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.555 -1.926 5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.080 -4.198 5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.438 -6.277 8.324 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.385 -6.408 6.824 1.00 0.00 H new ATOM 83 N GLU A 9 -6.417 0.813 6.074 1.00 0.00 N ATOM 84 CA GLU A 9 -6.565 2.148 5.506 1.00 0.00 C ATOM 85 C GLU A 9 -7.588 2.147 4.373 1.00 0.00 C ATOM 86 O GLU A 9 -8.294 1.161 4.162 1.00 0.00 O ATOM 87 CB GLU A 9 -5.218 2.659 4.990 1.00 0.00 C ATOM 88 CG GLU A 9 -4.093 2.541 6.005 1.00 0.00 C ATOM 89 CD GLU A 9 -4.318 3.408 7.229 1.00 0.00 C ATOM 90 OE1 GLU A 9 -4.454 4.638 7.068 1.00 0.00 O ATOM 91 OE2 GLU A 9 -4.358 2.854 8.348 1.00 0.00 O ATOM 0 H GLU A 9 -5.491 0.404 5.954 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.921 2.812 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.947 2.102 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.323 3.703 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.996 1.500 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.152 2.823 5.533 1.00 0.00 H new ATOM 98 N ASP A 10 -7.662 3.258 3.649 1.00 0.00 N ATOM 99 CA ASP A 10 -8.597 3.387 2.538 1.00 0.00 C ATOM 100 C ASP A 10 -8.112 4.431 1.537 1.00 0.00 C ATOM 101 O ASP A 10 -8.908 5.029 0.813 1.00 0.00 O ATOM 102 CB ASP A 10 -9.987 3.764 3.054 1.00 0.00 C ATOM 103 CG ASP A 10 -11.056 2.787 2.606 1.00 0.00 C ATOM 104 OD1 ASP A 10 -10.869 1.568 2.807 1.00 0.00 O ATOM 105 OD2 ASP A 10 -12.079 3.241 2.054 1.00 0.00 O ATOM 0 H ASP A 10 -7.085 4.083 3.812 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.655 2.424 2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.969 3.803 4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.243 4.764 2.703 1.00 0.00 H new ATOM 110 N PHE A 11 -6.801 4.646 1.503 1.00 0.00 N ATOM 111 CA PHE A 11 -6.210 5.619 0.592 1.00 0.00 C ATOM 112 C PHE A 11 -4.832 5.160 0.124 1.00 0.00 C ATOM 113 O PHE A 11 -4.051 4.609 0.902 1.00 0.00 O ATOM 114 CB PHE A 11 -6.101 6.985 1.273 1.00 0.00 C ATOM 115 CG PHE A 11 -7.357 7.404 1.982 1.00 0.00 C ATOM 116 CD1 PHE A 11 -8.401 7.987 1.283 1.00 0.00 C ATOM 117 CD2 PHE A 11 -7.493 7.215 3.348 1.00 0.00 C ATOM 118 CE1 PHE A 11 -9.559 8.373 1.932 1.00 0.00 C ATOM 119 CE2 PHE A 11 -8.648 7.598 4.002 1.00 0.00 C ATOM 120 CZ PHE A 11 -9.682 8.179 3.294 1.00 0.00 C ATOM 0 H PHE A 11 -6.128 4.160 2.096 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.859 5.705 -0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.280 6.960 1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.848 7.736 0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.309 8.142 0.218 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.687 6.763 3.908 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.366 8.825 1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.742 7.443 5.067 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.585 8.481 3.804 1.00 0.00 H new ATOM 130 N CYS A 12 -4.540 5.389 -1.151 1.00 0.00 N ATOM 131 CA CYS A 12 -3.258 4.999 -1.725 1.00 0.00 C ATOM 132 C CYS A 12 -2.101 5.529 -0.883 1.00 0.00 C ATOM 133 O CYS A 12 -2.125 6.672 -0.427 1.00 0.00 O ATOM 134 CB CYS A 12 -3.139 5.517 -3.160 1.00 0.00 C ATOM 135 SG CYS A 12 -1.678 4.896 -4.055 1.00 0.00 S ATOM 0 H CYS A 12 -5.175 5.843 -1.808 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.208 3.910 -1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.036 5.237 -3.712 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.104 6.606 -3.140 1.00 0.00 H new ATOM 140 N SER A 13 -1.090 4.691 -0.682 1.00 0.00 N ATOM 141 CA SER A 13 0.075 5.073 0.108 1.00 0.00 C ATOM 142 C SER A 13 1.195 5.589 -0.790 1.00 0.00 C ATOM 143 O SER A 13 2.373 5.325 -0.548 1.00 0.00 O ATOM 144 CB SER A 13 0.573 3.883 0.931 1.00 0.00 C ATOM 145 OG SER A 13 0.889 4.275 2.255 1.00 0.00 O ATOM 0 H SER A 13 -1.054 3.742 -1.055 1.00 0.00 H new ATOM 0 HA SER A 13 -0.223 5.874 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.191 3.106 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.454 3.452 0.456 1.00 0.00 H new ATOM 0 HG SER A 13 1.203 3.496 2.760 1.00 0.00 H new ATOM 151 N VAL A 14 0.819 6.327 -1.830 1.00 0.00 N ATOM 152 CA VAL A 14 1.790 6.881 -2.765 1.00 0.00 C ATOM 153 C VAL A 14 1.292 8.193 -3.362 1.00 0.00 C ATOM 154 O VAL A 14 2.034 9.172 -3.443 1.00 0.00 O ATOM 155 CB VAL A 14 2.096 5.895 -3.907 1.00 0.00 C ATOM 156 CG1 VAL A 14 3.087 6.503 -4.888 1.00 0.00 C ATOM 157 CG2 VAL A 14 2.625 4.582 -3.349 1.00 0.00 C ATOM 0 H VAL A 14 -0.152 6.555 -2.046 1.00 0.00 H new ATOM 0 HA VAL A 14 2.703 7.065 -2.199 1.00 0.00 H new ATOM 0 HB VAL A 14 1.170 5.690 -4.444 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.291 5.791 -5.688 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.666 7.415 -5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.015 6.740 -4.368 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.836 3.897 -4.170 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.540 4.768 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.878 4.140 -2.690 1.00 0.00 H new ATOM 167 N CYS A 15 0.030 8.206 -3.777 1.00 0.00 N ATOM 168 CA CYS A 15 -0.570 9.397 -4.367 1.00 0.00 C ATOM 169 C CYS A 15 -1.709 9.920 -3.496 1.00 0.00 C ATOM 170 O CYS A 15 -2.063 11.098 -3.561 1.00 0.00 O ATOM 171 CB CYS A 15 -1.088 9.090 -5.773 1.00 0.00 C ATOM 172 SG CYS A 15 -2.493 7.931 -5.811 1.00 0.00 S ATOM 0 H CYS A 15 -0.598 7.404 -3.716 1.00 0.00 H new ATOM 0 HA CYS A 15 0.199 10.167 -4.431 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.388 10.023 -6.250 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.273 8.676 -6.367 1.00 0.00 H new ATOM 177 N ARG A 16 -2.277 9.038 -2.681 1.00 0.00 N ATOM 178 CA ARG A 16 -3.376 9.410 -1.798 1.00 0.00 C ATOM 179 C ARG A 16 -4.597 9.845 -2.603 1.00 0.00 C ATOM 180 O ARG A 16 -4.870 11.037 -2.742 1.00 0.00 O ATOM 181 CB ARG A 16 -2.943 10.537 -0.858 1.00 0.00 C ATOM 182 CG ARG A 16 -1.606 10.286 -0.181 1.00 0.00 C ATOM 183 CD ARG A 16 -1.159 11.490 0.632 1.00 0.00 C ATOM 184 NE ARG A 16 -2.041 11.740 1.769 1.00 0.00 N ATOM 185 CZ ARG A 16 -1.891 12.763 2.604 1.00 0.00 C ATOM 186 NH1 ARG A 16 -0.900 13.626 2.430 1.00 0.00 N ATOM 187 NH2 ARG A 16 -2.735 12.924 3.616 1.00 0.00 N ATOM 0 H ARG A 16 -1.994 8.060 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.646 8.535 -1.206 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.886 11.468 -1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.708 10.675 -0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.684 9.415 0.470 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.853 10.055 -0.934 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.142 11.328 0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.135 12.371 -0.009 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.814 11.094 1.931 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.250 13.506 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.788 14.410 3.073 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.499 12.262 3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.619 13.709 4.257 1.00 0.00 H new ATOM 201 N LYS A 17 -5.328 8.870 -3.132 1.00 0.00 N ATOM 202 CA LYS A 17 -6.521 9.150 -3.923 1.00 0.00 C ATOM 203 C LYS A 17 -7.613 8.124 -3.642 1.00 0.00 C ATOM 204 O LYS A 17 -7.380 6.918 -3.721 1.00 0.00 O ATOM 205 CB LYS A 17 -6.179 9.152 -5.415 1.00 0.00 C ATOM 206 CG LYS A 17 -5.917 10.539 -5.977 1.00 0.00 C ATOM 207 CD LYS A 17 -7.212 11.264 -6.302 1.00 0.00 C ATOM 208 CE LYS A 17 -6.996 12.352 -7.342 1.00 0.00 C ATOM 209 NZ LYS A 17 -6.471 13.606 -6.731 1.00 0.00 N ATOM 0 H LYS A 17 -5.115 7.878 -3.027 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.892 10.135 -3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.298 8.531 -5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.999 8.694 -5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.344 11.122 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.308 10.458 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.948 10.549 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.622 11.704 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.298 11.997 -8.100 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.938 12.562 -7.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.337 14.323 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.149 13.959 -6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.560 13.412 -6.268 1.00 0.00 H new ATOM 223 N SER A 18 -8.806 8.610 -3.315 1.00 0.00 N ATOM 224 CA SER A 18 -9.935 7.735 -3.021 1.00 0.00 C ATOM 225 C SER A 18 -10.191 6.771 -4.175 1.00 0.00 C ATOM 226 O SER A 18 -9.544 6.850 -5.219 1.00 0.00 O ATOM 227 CB SER A 18 -11.191 8.563 -2.744 1.00 0.00 C ATOM 228 OG SER A 18 -11.540 8.518 -1.372 1.00 0.00 O ATOM 0 H SER A 18 -9.016 9.606 -3.247 1.00 0.00 H new ATOM 0 HA SER A 18 -9.690 7.153 -2.133 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.022 9.597 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.018 8.186 -3.345 1.00 0.00 H new ATOM 0 HG SER A 18 -12.345 9.056 -1.221 1.00 0.00 H new ATOM 234 N GLY A 19 -11.140 5.861 -3.979 1.00 0.00 N ATOM 235 CA GLY A 19 -11.465 4.894 -5.012 1.00 0.00 C ATOM 236 C GLY A 19 -11.101 3.478 -4.615 1.00 0.00 C ATOM 237 O GLY A 19 -10.796 3.211 -3.453 1.00 0.00 O ATOM 0 H GLY A 19 -11.690 5.776 -3.124 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.532 4.944 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.940 5.157 -5.930 1.00 0.00 H new ATOM 241 N GLN A 20 -11.135 2.567 -5.582 1.00 0.00 N ATOM 242 CA GLN A 20 -10.808 1.169 -5.326 1.00 0.00 C ATOM 243 C GLN A 20 -9.310 0.994 -5.095 1.00 0.00 C ATOM 244 O GLN A 20 -8.490 1.455 -5.890 1.00 0.00 O ATOM 245 CB GLN A 20 -11.261 0.295 -6.497 1.00 0.00 C ATOM 246 CG GLN A 20 -10.693 0.731 -7.837 1.00 0.00 C ATOM 247 CD GLN A 20 -9.957 -0.386 -8.551 1.00 0.00 C ATOM 248 OE1 GLN A 20 -10.537 -1.110 -9.360 1.00 0.00 O ATOM 249 NE2 GLN A 20 -8.671 -0.532 -8.253 1.00 0.00 N ATOM 0 H GLN A 20 -11.385 2.772 -6.549 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.335 0.858 -4.424 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.966 -0.737 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -12.350 0.310 -6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.504 1.090 -8.471 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.013 1.569 -7.684 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.230 0.091 -7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.124 -1.267 -8.701 1.00 0.00 H new ATOM 258 N LEU A 21 -8.960 0.325 -4.002 1.00 0.00 N ATOM 259 CA LEU A 21 -7.561 0.089 -3.665 1.00 0.00 C ATOM 260 C LEU A 21 -7.316 -1.385 -3.358 1.00 0.00 C ATOM 261 O LEU A 21 -8.228 -2.106 -2.950 1.00 0.00 O ATOM 262 CB LEU A 21 -7.152 0.946 -2.466 1.00 0.00 C ATOM 263 CG LEU A 21 -6.406 2.241 -2.789 1.00 0.00 C ATOM 264 CD1 LEU A 21 -6.773 3.331 -1.794 1.00 0.00 C ATOM 265 CD2 LEU A 21 -4.903 2.004 -2.794 1.00 0.00 C ATOM 0 H LEU A 21 -9.626 -0.064 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.954 0.368 -4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.050 1.199 -1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.524 0.342 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.704 2.571 -3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.232 4.245 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.845 3.520 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.504 3.010 -0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.388 2.937 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.587 1.649 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.655 1.256 -3.547 1.00 0.00 H new ATOM 277 N LEU A 22 -6.078 -1.827 -3.554 1.00 0.00 N ATOM 278 CA LEU A 22 -5.712 -3.216 -3.296 1.00 0.00 C ATOM 279 C LEU A 22 -5.422 -3.436 -1.815 1.00 0.00 C ATOM 280 O LEU A 22 -5.042 -2.507 -1.102 1.00 0.00 O ATOM 281 CB LEU A 22 -4.490 -3.605 -4.130 1.00 0.00 C ATOM 282 CG LEU A 22 -4.351 -5.090 -4.464 1.00 0.00 C ATOM 283 CD1 LEU A 22 -5.539 -5.566 -5.286 1.00 0.00 C ATOM 284 CD2 LEU A 22 -3.049 -5.350 -5.207 1.00 0.00 C ATOM 0 H LEU A 22 -5.311 -1.244 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.554 -3.847 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.519 -3.044 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.594 -3.288 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.332 -5.652 -3.530 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.422 -6.625 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.458 -5.416 -4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.590 -4.998 -6.215 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.967 -6.412 -5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.038 -4.777 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.208 -5.048 -4.584 1.00 0.00 H new ATOM 296 N MET A 23 -5.602 -4.671 -1.359 1.00 0.00 N ATOM 297 CA MET A 23 -5.356 -5.014 0.037 1.00 0.00 C ATOM 298 C MET A 23 -4.285 -6.094 0.151 1.00 0.00 C ATOM 299 O MET A 23 -4.230 -7.017 -0.662 1.00 0.00 O ATOM 300 CB MET A 23 -6.649 -5.490 0.703 1.00 0.00 C ATOM 301 CG MET A 23 -7.794 -4.497 0.584 1.00 0.00 C ATOM 302 SD MET A 23 -9.240 -4.988 1.543 1.00 0.00 S ATOM 303 CE MET A 23 -9.834 -3.393 2.101 1.00 0.00 C ATOM 0 H MET A 23 -5.917 -5.451 -1.936 1.00 0.00 H new ATOM 0 HA MET A 23 -5.000 -4.119 0.548 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.952 -6.437 0.255 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.455 -5.684 1.758 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.456 -3.516 0.919 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.075 -4.396 -0.464 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.728 -3.530 2.709 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.062 -2.905 2.696 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.074 -2.772 1.238 1.00 0.00 H new ATOM 313 N CYS A 24 -3.433 -5.971 1.164 1.00 0.00 N ATOM 314 CA CYS A 24 -2.362 -6.935 1.385 1.00 0.00 C ATOM 315 C CYS A 24 -2.838 -8.083 2.271 1.00 0.00 C ATOM 316 O CYS A 24 -3.644 -7.885 3.181 1.00 0.00 O ATOM 317 CB CYS A 24 -1.154 -6.249 2.024 1.00 0.00 C ATOM 318 SG CYS A 24 0.266 -7.356 2.307 1.00 0.00 S ATOM 0 H CYS A 24 -3.464 -5.212 1.845 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.069 -7.344 0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.837 -5.425 1.385 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.458 -5.815 2.976 1.00 0.00 H new ATOM 323 N ASP A 25 -2.332 -9.281 2.000 1.00 0.00 N ATOM 324 CA ASP A 25 -2.704 -10.460 2.774 1.00 0.00 C ATOM 325 C ASP A 25 -1.691 -10.722 3.884 1.00 0.00 C ATOM 326 O ASP A 25 -1.316 -11.867 4.141 1.00 0.00 O ATOM 327 CB ASP A 25 -2.806 -11.683 1.861 1.00 0.00 C ATOM 328 CG ASP A 25 -3.901 -12.638 2.294 1.00 0.00 C ATOM 329 OD1 ASP A 25 -4.983 -12.159 2.692 1.00 0.00 O ATOM 330 OD2 ASP A 25 -3.676 -13.866 2.236 1.00 0.00 O ATOM 0 H ASP A 25 -1.664 -9.461 1.251 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.676 -10.274 3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.997 -11.355 0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.851 -12.209 1.854 1.00 0.00 H new ATOM 335 N THR A 26 -1.251 -9.653 4.541 1.00 0.00 N ATOM 336 CA THR A 26 -0.281 -9.767 5.623 1.00 0.00 C ATOM 337 C THR A 26 -0.330 -8.547 6.536 1.00 0.00 C ATOM 338 O THR A 26 -0.708 -8.648 7.704 1.00 0.00 O ATOM 339 CB THR A 26 1.151 -9.929 5.078 1.00 0.00 C ATOM 340 OG1 THR A 26 1.125 -10.015 3.649 1.00 0.00 O ATOM 341 CG2 THR A 26 1.812 -11.172 5.654 1.00 0.00 C ATOM 0 H THR A 26 -1.551 -8.699 4.342 1.00 0.00 H new ATOM 0 HA THR A 26 -0.548 -10.656 6.195 1.00 0.00 H new ATOM 0 HB THR A 26 1.731 -9.056 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.973 -9.124 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.822 -11.265 5.255 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.857 -11.090 6.740 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.231 -12.053 5.381 1.00 0.00 H new ATOM 349 N CYS A 27 0.053 -7.395 5.997 1.00 0.00 N ATOM 350 CA CYS A 27 0.053 -6.154 6.763 1.00 0.00 C ATOM 351 C CYS A 27 -1.288 -5.437 6.637 1.00 0.00 C ATOM 352 O CYS A 27 -2.254 -5.993 6.114 1.00 0.00 O ATOM 353 CB CYS A 27 1.181 -5.237 6.288 1.00 0.00 C ATOM 354 SG CYS A 27 0.960 -4.602 4.595 1.00 0.00 S ATOM 0 H CYS A 27 0.368 -7.295 5.032 1.00 0.00 H new ATOM 0 HA CYS A 27 0.214 -6.404 7.812 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.262 -4.393 6.973 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.124 -5.782 6.340 1.00 0.00 H new ATOM 359 N SER A 28 -1.339 -4.200 7.118 1.00 0.00 N ATOM 360 CA SER A 28 -2.562 -3.407 7.062 1.00 0.00 C ATOM 361 C SER A 28 -2.345 -2.131 6.255 1.00 0.00 C ATOM 362 O SER A 28 -2.547 -1.025 6.756 1.00 0.00 O ATOM 363 CB SER A 28 -3.033 -3.057 8.475 1.00 0.00 C ATOM 364 OG SER A 28 -3.684 -4.158 9.083 1.00 0.00 O ATOM 0 H SER A 28 -0.548 -3.724 7.551 1.00 0.00 H new ATOM 0 HA SER A 28 -3.330 -4.002 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.179 -2.755 9.082 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.713 -2.206 8.435 1.00 0.00 H new ATOM 0 HG SER A 28 -4.317 -4.555 8.449 1.00 0.00 H new ATOM 370 N ARG A 29 -1.933 -2.293 5.002 1.00 0.00 N ATOM 371 CA ARG A 29 -1.688 -1.155 4.124 1.00 0.00 C ATOM 372 C ARG A 29 -2.345 -1.367 2.763 1.00 0.00 C ATOM 373 O ARG A 29 -2.519 -2.500 2.316 1.00 0.00 O ATOM 374 CB ARG A 29 -0.185 -0.934 3.949 1.00 0.00 C ATOM 375 CG ARG A 29 0.566 -0.782 5.261 1.00 0.00 C ATOM 376 CD ARG A 29 0.958 0.665 5.514 1.00 0.00 C ATOM 377 NE ARG A 29 2.088 0.773 6.434 1.00 0.00 N ATOM 378 CZ ARG A 29 2.011 0.487 7.729 1.00 0.00 C ATOM 379 NH1 ARG A 29 0.864 0.077 8.254 1.00 0.00 N ATOM 380 NH2 ARG A 29 3.082 0.610 8.502 1.00 0.00 N ATOM 0 H ARG A 29 -1.762 -3.202 4.572 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.127 -0.270 4.585 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.235 -1.774 3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.026 -0.042 3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.056 -1.140 6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 29 1.460 -1.405 5.244 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.214 1.142 4.568 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.104 1.206 5.923 1.00 0.00 H new ATOM 0 HE ARG A 29 2.985 1.085 6.062 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.038 -0.019 7.663 1.00 0.00 H new ATOM 0 HH12 ARG A 29 0.808 -0.142 9.249 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.966 0.925 8.102 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.021 0.390 9.496 1.00 0.00 H new ATOM 394 N VAL A 30 -2.708 -0.268 2.110 1.00 0.00 N ATOM 395 CA VAL A 30 -3.345 -0.332 0.800 1.00 0.00 C ATOM 396 C VAL A 30 -2.479 0.332 -0.265 1.00 0.00 C ATOM 397 O VAL A 30 -1.757 1.288 0.015 1.00 0.00 O ATOM 398 CB VAL A 30 -4.729 0.343 0.815 1.00 0.00 C ATOM 399 CG1 VAL A 30 -5.691 -0.430 1.704 1.00 0.00 C ATOM 400 CG2 VAL A 30 -4.611 1.789 1.274 1.00 0.00 C ATOM 0 H VAL A 30 -2.572 0.678 2.467 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.467 -1.388 0.559 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.127 0.339 -0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.664 0.062 1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.798 -1.447 1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.302 -0.460 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.598 2.251 1.279 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.192 1.818 2.280 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.958 2.335 0.593 1.00 0.00 H new ATOM 410 N TYR A 31 -2.558 -0.182 -1.488 1.00 0.00 N ATOM 411 CA TYR A 31 -1.780 0.360 -2.596 1.00 0.00 C ATOM 412 C TYR A 31 -2.526 0.196 -3.916 1.00 0.00 C ATOM 413 O TYR A 31 -3.069 -0.870 -4.208 1.00 0.00 O ATOM 414 CB TYR A 31 -0.418 -0.333 -2.677 1.00 0.00 C ATOM 415 CG TYR A 31 0.353 -0.306 -1.377 1.00 0.00 C ATOM 416 CD1 TYR A 31 1.104 0.805 -1.014 1.00 0.00 C ATOM 417 CD2 TYR A 31 0.330 -1.392 -0.510 1.00 0.00 C ATOM 418 CE1 TYR A 31 1.811 0.833 0.172 1.00 0.00 C ATOM 419 CE2 TYR A 31 1.033 -1.372 0.679 1.00 0.00 C ATOM 420 CZ TYR A 31 1.772 -0.258 1.015 1.00 0.00 C ATOM 421 OH TYR A 31 2.474 -0.233 2.199 1.00 0.00 O ATOM 0 H TYR A 31 -3.152 -0.973 -1.737 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.629 1.424 -2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.565 -1.369 -2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.178 0.146 -3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.135 1.662 -1.671 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.247 -2.267 -0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.391 1.704 0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.004 -2.224 1.342 1.00 0.00 H new ATOM 0 HH TYR A 31 2.340 -1.078 2.677 1.00 0.00 H new ATOM 431 N HIS A 32 -2.548 1.261 -4.712 1.00 0.00 N ATOM 432 CA HIS A 32 -3.226 1.237 -6.003 1.00 0.00 C ATOM 433 C HIS A 32 -2.667 0.127 -6.889 1.00 0.00 C ATOM 434 O HIS A 32 -1.765 -0.608 -6.487 1.00 0.00 O ATOM 435 CB HIS A 32 -3.081 2.587 -6.704 1.00 0.00 C ATOM 436 CG HIS A 32 -4.156 3.567 -6.346 1.00 0.00 C ATOM 437 ND1 HIS A 32 -3.990 4.933 -6.437 1.00 0.00 N ATOM 438 CD2 HIS A 32 -5.417 3.372 -5.894 1.00 0.00 C ATOM 439 CE1 HIS A 32 -5.102 5.535 -6.056 1.00 0.00 C ATOM 440 NE2 HIS A 32 -5.984 4.610 -5.722 1.00 0.00 N ATOM 0 H HIS A 32 -2.104 2.151 -4.485 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.283 1.040 -5.827 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.111 3.016 -6.451 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.089 2.430 -7.783 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.889 2.419 -5.704 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.263 6.602 -6.023 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.932 4.787 -5.390 1.00 0.00 H new ATOM 448 N LEU A 33 -3.209 0.012 -8.097 1.00 0.00 N ATOM 449 CA LEU A 33 -2.765 -1.008 -9.040 1.00 0.00 C ATOM 450 C LEU A 33 -1.648 -0.476 -9.932 1.00 0.00 C ATOM 451 O LEU A 33 -0.828 -1.241 -10.440 1.00 0.00 O ATOM 452 CB LEU A 33 -3.939 -1.480 -9.901 1.00 0.00 C ATOM 453 CG LEU A 33 -4.753 -2.648 -9.343 1.00 0.00 C ATOM 454 CD1 LEU A 33 -5.944 -2.945 -10.240 1.00 0.00 C ATOM 455 CD2 LEU A 33 -3.877 -3.883 -9.189 1.00 0.00 C ATOM 0 H LEU A 33 -3.956 0.612 -8.446 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.378 -1.852 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.611 -0.636 -10.057 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.554 -1.766 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.127 -2.368 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.511 -3.779 -9.827 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.584 -2.064 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.592 -3.205 -11.238 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.473 -4.704 -8.791 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.473 -4.166 -10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.057 -3.664 -8.505 1.00 0.00 H new ATOM 467 N ASP A 34 -1.621 0.839 -10.116 1.00 0.00 N ATOM 468 CA ASP A 34 -0.602 1.475 -10.944 1.00 0.00 C ATOM 469 C ASP A 34 0.495 2.089 -10.080 1.00 0.00 C ATOM 470 O ASP A 34 1.603 2.344 -10.553 1.00 0.00 O ATOM 471 CB ASP A 34 -1.233 2.550 -11.830 1.00 0.00 C ATOM 472 CG ASP A 34 -2.291 1.988 -12.759 1.00 0.00 C ATOM 473 OD1 ASP A 34 -2.298 0.757 -12.975 1.00 0.00 O ATOM 474 OD2 ASP A 34 -3.112 2.778 -13.269 1.00 0.00 O ATOM 0 H ASP A 34 -2.293 1.486 -9.703 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.154 0.710 -11.578 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.679 3.320 -11.200 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.454 3.033 -12.421 1.00 0.00 H new ATOM 479 N CYS A 35 0.179 2.325 -8.811 1.00 0.00 N ATOM 480 CA CYS A 35 1.136 2.911 -7.880 1.00 0.00 C ATOM 481 C CYS A 35 1.798 1.831 -7.030 1.00 0.00 C ATOM 482 O CYS A 35 1.724 1.860 -5.801 1.00 0.00 O ATOM 483 CB CYS A 35 0.441 3.932 -6.977 1.00 0.00 C ATOM 484 SG CYS A 35 -0.627 5.108 -7.869 1.00 0.00 S ATOM 0 H CYS A 35 -0.733 2.119 -8.404 1.00 0.00 H new ATOM 0 HA CYS A 35 1.908 3.416 -8.461 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.160 3.399 -6.240 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.199 4.491 -6.428 1.00 0.00 H new ATOM 489 N LEU A 36 2.446 0.879 -7.692 1.00 0.00 N ATOM 490 CA LEU A 36 3.123 -0.211 -6.998 1.00 0.00 C ATOM 491 C LEU A 36 4.609 -0.235 -7.341 1.00 0.00 C ATOM 492 O LEU A 36 5.098 0.611 -8.091 1.00 0.00 O ATOM 493 CB LEU A 36 2.482 -1.551 -7.364 1.00 0.00 C ATOM 494 CG LEU A 36 1.173 -1.886 -6.649 1.00 0.00 C ATOM 495 CD1 LEU A 36 0.630 -3.223 -7.130 1.00 0.00 C ATOM 496 CD2 LEU A 36 1.378 -1.902 -5.142 1.00 0.00 C ATOM 0 H LEU A 36 2.517 0.840 -8.709 1.00 0.00 H new ATOM 0 HA LEU A 36 3.019 -0.046 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.299 -1.562 -8.438 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.200 -2.344 -7.155 1.00 0.00 H new ATOM 0 HG LEU A 36 0.442 -1.113 -6.887 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.302 -3.445 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.445 -3.176 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.358 -4.007 -6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.436 -2.142 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.124 -2.654 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.721 -0.922 -4.811 1.00 0.00 H new ATOM 508 N ASP A 37 5.323 -1.210 -6.788 1.00 0.00 N ATOM 509 CA ASP A 37 6.753 -1.346 -7.038 1.00 0.00 C ATOM 510 C ASP A 37 7.178 -2.810 -6.978 1.00 0.00 C ATOM 511 O ASP A 37 7.435 -3.365 -5.909 1.00 0.00 O ATOM 512 CB ASP A 37 7.550 -0.529 -6.019 1.00 0.00 C ATOM 513 CG ASP A 37 9.030 -0.857 -6.046 1.00 0.00 C ATOM 514 OD1 ASP A 37 9.647 -0.729 -7.124 1.00 0.00 O ATOM 515 OD2 ASP A 37 9.572 -1.242 -4.988 1.00 0.00 O ATOM 0 H ASP A 37 4.935 -1.917 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 37 6.960 -0.967 -8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.412 0.533 -6.221 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.157 -0.717 -5.020 1.00 0.00 H new ATOM 520 N PRO A 38 7.252 -3.453 -8.153 1.00 0.00 N ATOM 521 CA PRO A 38 6.948 -2.804 -9.432 1.00 0.00 C ATOM 522 C PRO A 38 5.463 -2.493 -9.585 1.00 0.00 C ATOM 523 O PRO A 38 4.624 -2.960 -8.815 1.00 0.00 O ATOM 524 CB PRO A 38 7.387 -3.840 -10.469 1.00 0.00 C ATOM 525 CG PRO A 38 7.297 -5.147 -9.760 1.00 0.00 C ATOM 526 CD PRO A 38 7.639 -4.864 -8.324 1.00 0.00 C ATOM 0 HA PRO A 38 7.452 -1.842 -9.531 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.741 -3.820 -11.346 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.402 -3.647 -10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.296 -5.570 -9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.988 -5.872 -10.190 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.091 -5.516 -7.644 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.700 -5.017 -8.126 1.00 0.00 H new ATOM 534 N PRO A 39 5.129 -1.685 -10.602 1.00 0.00 N ATOM 535 CA PRO A 39 3.743 -1.294 -10.880 1.00 0.00 C ATOM 536 C PRO A 39 2.906 -2.458 -11.400 1.00 0.00 C ATOM 537 O PRO A 39 3.437 -3.410 -11.974 1.00 0.00 O ATOM 538 CB PRO A 39 3.889 -0.216 -11.957 1.00 0.00 C ATOM 539 CG PRO A 39 5.184 -0.521 -12.626 1.00 0.00 C ATOM 540 CD PRO A 39 6.077 -1.091 -11.559 1.00 0.00 C ATOM 0 HA PRO A 39 3.227 -0.952 -9.983 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.061 -0.249 -12.665 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.895 0.782 -11.519 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.045 -1.233 -13.440 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.620 0.378 -13.061 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.760 -1.838 -11.964 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.689 -0.319 -11.092 1.00 0.00 H new ATOM 548 N LEU A 40 1.596 -2.375 -11.197 1.00 0.00 N ATOM 549 CA LEU A 40 0.685 -3.422 -11.646 1.00 0.00 C ATOM 550 C LEU A 40 -0.320 -2.873 -12.654 1.00 0.00 C ATOM 551 O LEU A 40 -0.309 -1.684 -12.974 1.00 0.00 O ATOM 552 CB LEU A 40 -0.053 -4.031 -10.452 1.00 0.00 C ATOM 553 CG LEU A 40 0.499 -5.357 -9.927 1.00 0.00 C ATOM 554 CD1 LEU A 40 -0.304 -5.831 -8.726 1.00 0.00 C ATOM 555 CD2 LEU A 40 0.492 -6.410 -11.026 1.00 0.00 C ATOM 0 H LEU A 40 1.141 -1.594 -10.725 1.00 0.00 H new ATOM 0 HA LEU A 40 1.275 -4.198 -12.134 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.042 -3.308 -9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.096 -4.180 -10.732 1.00 0.00 H new ATOM 0 HG LEU A 40 1.530 -5.200 -9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.103 -6.776 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.247 -5.086 -7.933 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.345 -5.972 -9.017 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.888 -7.347 -10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.529 -6.565 -11.375 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.112 -6.073 -11.857 1.00 0.00 H new ATOM 567 N LYS A 41 -1.191 -3.747 -13.149 1.00 0.00 N ATOM 568 CA LYS A 41 -2.206 -3.350 -14.117 1.00 0.00 C ATOM 569 C LYS A 41 -3.543 -4.015 -13.807 1.00 0.00 C ATOM 570 O LYS A 41 -4.485 -3.362 -13.356 1.00 0.00 O ATOM 571 CB LYS A 41 -1.759 -3.716 -15.534 1.00 0.00 C ATOM 572 CG LYS A 41 -2.749 -3.302 -16.610 1.00 0.00 C ATOM 573 CD LYS A 41 -2.172 -3.497 -18.002 1.00 0.00 C ATOM 574 CE LYS A 41 -3.088 -2.919 -19.071 1.00 0.00 C ATOM 575 NZ LYS A 41 -2.571 -3.177 -20.443 1.00 0.00 N ATOM 0 H LYS A 41 -1.214 -4.735 -12.895 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.333 -2.270 -14.050 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.797 -3.244 -15.736 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.604 -4.793 -15.590 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.663 -3.886 -16.509 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.022 -2.256 -16.471 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.194 -3.019 -18.062 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.019 -4.560 -18.188 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.083 -3.353 -18.970 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.192 -1.845 -18.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.223 -2.768 -21.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.633 -2.741 -20.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.496 -4.203 -20.598 1.00 0.00 H new ATOM 589 N THR A 42 -3.621 -5.320 -14.049 1.00 0.00 N ATOM 590 CA THR A 42 -4.842 -6.074 -13.796 1.00 0.00 C ATOM 591 C THR A 42 -4.820 -6.706 -12.409 1.00 0.00 C ATOM 592 O THR A 42 -3.928 -6.431 -11.605 1.00 0.00 O ATOM 593 CB THR A 42 -5.049 -7.180 -14.848 1.00 0.00 C ATOM 594 OG1 THR A 42 -4.099 -8.232 -14.646 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.903 -6.621 -16.255 1.00 0.00 C ATOM 0 H THR A 42 -2.851 -5.877 -14.420 1.00 0.00 H new ATOM 0 HA THR A 42 -5.668 -5.366 -13.857 1.00 0.00 H new ATOM 0 HB THR A 42 -6.058 -7.576 -14.734 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.238 -8.932 -15.318 1.00 0.00 H new ATOM 0 HG21 THR A 42 -5.053 -7.420 -16.981 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.647 -5.840 -16.415 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.904 -6.202 -16.378 1.00 0.00 H new ATOM 603 N ILE A 43 -5.805 -7.554 -12.134 1.00 0.00 N ATOM 604 CA ILE A 43 -5.896 -8.227 -10.844 1.00 0.00 C ATOM 605 C ILE A 43 -4.816 -9.293 -10.702 1.00 0.00 C ATOM 606 O ILE A 43 -4.806 -10.300 -11.411 1.00 0.00 O ATOM 607 CB ILE A 43 -7.277 -8.881 -10.647 1.00 0.00 C ATOM 608 CG1 ILE A 43 -8.385 -7.835 -10.784 1.00 0.00 C ATOM 609 CG2 ILE A 43 -7.350 -9.563 -9.289 1.00 0.00 C ATOM 610 CD1 ILE A 43 -9.774 -8.431 -10.850 1.00 0.00 C ATOM 0 H ILE A 43 -6.552 -7.792 -12.787 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.752 -7.464 -10.079 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.419 -9.636 -11.420 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.333 -7.149 -9.938 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.208 -7.246 -11.684 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.331 -10.021 -9.164 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.580 -10.332 -9.226 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.191 -8.825 -8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.509 -7.632 -10.947 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.845 -9.095 -11.712 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.971 -8.997 -9.939 1.00 0.00 H new ATOM 622 N PRO A 44 -3.884 -9.071 -9.763 1.00 0.00 N ATOM 623 CA PRO A 44 -2.783 -10.003 -9.504 1.00 0.00 C ATOM 624 C PRO A 44 -3.261 -11.300 -8.862 1.00 0.00 C ATOM 625 O PRO A 44 -3.290 -11.425 -7.637 1.00 0.00 O ATOM 626 CB PRO A 44 -1.882 -9.228 -8.539 1.00 0.00 C ATOM 627 CG PRO A 44 -2.794 -8.263 -7.862 1.00 0.00 C ATOM 628 CD PRO A 44 -3.835 -7.892 -8.882 1.00 0.00 C ATOM 0 HA PRO A 44 -2.283 -10.309 -10.423 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.406 -9.895 -7.820 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.083 -8.711 -9.071 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.253 -8.712 -6.981 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.248 -7.382 -7.523 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.802 -7.697 -8.417 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.558 -6.992 -9.430 1.00 0.00 H new ATOM 636 N LYS A 45 -3.635 -12.265 -9.695 1.00 0.00 N ATOM 637 CA LYS A 45 -4.110 -13.555 -9.209 1.00 0.00 C ATOM 638 C LYS A 45 -3.122 -14.160 -8.217 1.00 0.00 C ATOM 639 O LYS A 45 -1.962 -13.756 -8.156 1.00 0.00 O ATOM 640 CB LYS A 45 -4.327 -14.516 -10.380 1.00 0.00 C ATOM 641 CG LYS A 45 -5.791 -14.794 -10.676 1.00 0.00 C ATOM 642 CD LYS A 45 -6.144 -16.250 -10.421 1.00 0.00 C ATOM 643 CE LYS A 45 -7.421 -16.649 -11.145 1.00 0.00 C ATOM 644 NZ LYS A 45 -8.612 -15.941 -10.598 1.00 0.00 N ATOM 0 H LYS A 45 -3.618 -12.178 -10.711 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.059 -13.395 -8.698 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.857 -14.101 -11.272 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.823 -15.458 -10.164 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.417 -14.153 -10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.008 -14.542 -11.714 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.323 -16.887 -10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.265 -16.414 -9.350 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.321 -16.425 -12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.567 -17.726 -11.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.462 -16.240 -11.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.722 -16.174 -9.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.484 -14.914 -10.704 1.00 0.00 H new ATOM 658 N GLY A 46 -3.590 -15.134 -7.442 1.00 0.00 N ATOM 659 CA GLY A 46 -2.734 -15.780 -6.464 1.00 0.00 C ATOM 660 C GLY A 46 -2.451 -14.895 -5.267 1.00 0.00 C ATOM 661 O GLY A 46 -2.613 -13.677 -5.335 1.00 0.00 O ATOM 0 H GLY A 46 -4.546 -15.487 -7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.206 -16.703 -6.126 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.792 -16.058 -6.937 1.00 0.00 H new ATOM 665 N MET A 47 -2.029 -15.509 -4.166 1.00 0.00 N ATOM 666 CA MET A 47 -1.724 -14.768 -2.948 1.00 0.00 C ATOM 667 C MET A 47 -0.761 -13.621 -3.236 1.00 0.00 C ATOM 668 O MET A 47 0.439 -13.834 -3.410 1.00 0.00 O ATOM 669 CB MET A 47 -1.123 -15.702 -1.895 1.00 0.00 C ATOM 670 CG MET A 47 -0.939 -15.046 -0.535 1.00 0.00 C ATOM 671 SD MET A 47 -0.673 -16.246 0.784 1.00 0.00 S ATOM 672 CE MET A 47 0.782 -15.562 1.574 1.00 0.00 C ATOM 0 H MET A 47 -1.891 -16.517 -4.093 1.00 0.00 H new ATOM 0 HA MET A 47 -2.654 -14.350 -2.564 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.767 -16.574 -1.784 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.157 -16.062 -2.249 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.090 -14.364 -0.577 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.819 -14.446 -0.303 1.00 0.00 H new ATOM 0 HE1 MET A 47 0.988 -16.110 2.493 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.635 -15.647 0.901 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.609 -14.512 1.809 1.00 0.00 H new ATOM 682 N TRP A 48 -1.294 -12.406 -3.284 1.00 0.00 N ATOM 683 CA TRP A 48 -0.481 -11.225 -3.551 1.00 0.00 C ATOM 684 C TRP A 48 0.016 -10.600 -2.252 1.00 0.00 C ATOM 685 O TRP A 48 -0.674 -10.636 -1.233 1.00 0.00 O ATOM 686 CB TRP A 48 -1.284 -10.198 -4.351 1.00 0.00 C ATOM 687 CG TRP A 48 -0.481 -8.997 -4.752 1.00 0.00 C ATOM 688 CD1 TRP A 48 0.325 -8.878 -5.848 1.00 0.00 C ATOM 689 CD2 TRP A 48 -0.406 -7.747 -4.058 1.00 0.00 C ATOM 690 NE1 TRP A 48 0.897 -7.629 -5.877 1.00 0.00 N ATOM 691 CE2 TRP A 48 0.464 -6.915 -4.791 1.00 0.00 C ATOM 692 CE3 TRP A 48 -0.990 -7.247 -2.891 1.00 0.00 C ATOM 693 CZ2 TRP A 48 0.762 -5.615 -4.393 1.00 0.00 C ATOM 694 CZ3 TRP A 48 -0.693 -5.957 -2.497 1.00 0.00 C ATOM 695 CH2 TRP A 48 0.176 -5.152 -3.246 1.00 0.00 C ATOM 0 H TRP A 48 -2.285 -12.212 -3.142 1.00 0.00 H new ATOM 0 HA TRP A 48 0.384 -11.536 -4.137 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.681 -10.676 -5.246 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.138 -9.873 -3.757 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.489 -9.652 -6.584 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.540 -7.288 -6.592 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.662 -7.859 -2.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.432 -4.994 -4.969 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.138 -5.562 -1.596 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.387 -4.147 -2.912 1.00 0.00 H new ATOM 706 N ILE A 49 1.215 -10.028 -2.296 1.00 0.00 N ATOM 707 CA ILE A 49 1.801 -9.395 -1.122 1.00 0.00 C ATOM 708 C ILE A 49 2.525 -8.106 -1.497 1.00 0.00 C ATOM 709 O ILE A 49 3.399 -8.102 -2.365 1.00 0.00 O ATOM 710 CB ILE A 49 2.789 -10.336 -0.409 1.00 0.00 C ATOM 711 CG1 ILE A 49 2.084 -11.628 0.011 1.00 0.00 C ATOM 712 CG2 ILE A 49 3.403 -9.644 0.799 1.00 0.00 C ATOM 713 CD1 ILE A 49 2.995 -12.615 0.706 1.00 0.00 C ATOM 0 H ILE A 49 1.799 -9.990 -3.132 1.00 0.00 H new ATOM 0 HA ILE A 49 0.979 -9.164 -0.445 1.00 0.00 H new ATOM 0 HB ILE A 49 3.590 -10.590 -1.103 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.256 -11.381 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.655 -12.102 -0.872 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.099 -10.322 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.936 -8.750 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.614 -9.363 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.428 -13.506 0.975 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.810 -12.891 0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.404 -12.160 1.608 1.00 0.00 H new ATOM 725 N CYS A 50 2.157 -7.013 -0.836 1.00 0.00 N ATOM 726 CA CYS A 50 2.772 -5.717 -1.098 1.00 0.00 C ATOM 727 C CYS A 50 4.293 -5.811 -1.020 1.00 0.00 C ATOM 728 O CYS A 50 4.853 -6.667 -0.336 1.00 0.00 O ATOM 729 CB CYS A 50 2.262 -4.677 -0.099 1.00 0.00 C ATOM 730 SG CYS A 50 2.921 -4.881 1.588 1.00 0.00 S ATOM 0 H CYS A 50 1.436 -6.999 -0.115 1.00 0.00 H new ATOM 0 HA CYS A 50 2.496 -5.408 -2.106 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.522 -3.682 -0.461 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.174 -4.728 -0.061 1.00 0.00 H new ATOM 735 N PRO A 51 4.979 -4.909 -1.739 1.00 0.00 N ATOM 736 CA PRO A 51 6.444 -4.869 -1.768 1.00 0.00 C ATOM 737 C PRO A 51 7.037 -4.408 -0.441 1.00 0.00 C ATOM 738 O PRO A 51 8.240 -4.534 -0.210 1.00 0.00 O ATOM 739 CB PRO A 51 6.749 -3.853 -2.871 1.00 0.00 C ATOM 740 CG PRO A 51 5.544 -2.978 -2.925 1.00 0.00 C ATOM 741 CD PRO A 51 4.376 -3.860 -2.578 1.00 0.00 C ATOM 0 HA PRO A 51 6.875 -5.854 -1.946 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.646 -3.278 -2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.923 -4.347 -3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.631 -2.150 -2.221 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.423 -2.542 -3.916 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.603 -3.310 -2.041 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.909 -4.278 -3.470 1.00 0.00 H new ATOM 749 N ARG A 52 6.186 -3.873 0.429 1.00 0.00 N ATOM 750 CA ARG A 52 6.627 -3.393 1.733 1.00 0.00 C ATOM 751 C ARG A 52 6.830 -4.556 2.700 1.00 0.00 C ATOM 752 O ARG A 52 7.593 -4.452 3.661 1.00 0.00 O ATOM 753 CB ARG A 52 5.607 -2.408 2.309 1.00 0.00 C ATOM 754 CG ARG A 52 6.120 -0.980 2.390 1.00 0.00 C ATOM 755 CD ARG A 52 6.842 -0.721 3.703 1.00 0.00 C ATOM 756 NE ARG A 52 7.303 0.661 3.811 1.00 0.00 N ATOM 757 CZ ARG A 52 8.081 1.102 4.793 1.00 0.00 C ATOM 758 NH1 ARG A 52 8.485 0.273 5.746 1.00 0.00 N ATOM 759 NH2 ARG A 52 8.458 2.373 4.822 1.00 0.00 N ATOM 0 H ARG A 52 5.187 -3.761 0.254 1.00 0.00 H new ATOM 0 HA ARG A 52 7.581 -2.882 1.601 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.708 -2.428 1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.318 -2.739 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.797 -0.788 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.285 -0.286 2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.174 -0.946 4.534 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.694 -1.395 3.787 1.00 0.00 H new ATOM 0 HE ARG A 52 7.011 1.324 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.198 -0.706 5.726 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.082 0.614 6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.150 3.013 4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.055 2.711 5.577 1.00 0.00 H new ATOM 773 N CYS A 53 6.141 -5.662 2.440 1.00 0.00 N ATOM 774 CA CYS A 53 6.244 -6.844 3.287 1.00 0.00 C ATOM 775 C CYS A 53 7.427 -7.712 2.868 1.00 0.00 C ATOM 776 O CYS A 53 8.279 -8.055 3.687 1.00 0.00 O ATOM 777 CB CYS A 53 4.950 -7.658 3.222 1.00 0.00 C ATOM 778 SG CYS A 53 3.645 -7.073 4.349 1.00 0.00 S ATOM 0 H CYS A 53 5.505 -5.764 1.649 1.00 0.00 H new ATOM 0 HA CYS A 53 6.405 -6.513 4.313 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.570 -7.635 2.201 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.176 -8.699 3.455 1.00 0.00 H new ATOM 783 N GLN A 54 7.470 -8.064 1.587 1.00 0.00 N ATOM 784 CA GLN A 54 8.548 -8.892 1.059 1.00 0.00 C ATOM 785 C GLN A 54 9.910 -8.313 1.427 1.00 0.00 C ATOM 786 O GLN A 54 10.883 -9.048 1.598 1.00 0.00 O ATOM 787 CB GLN A 54 8.427 -9.016 -0.461 1.00 0.00 C ATOM 788 CG GLN A 54 7.212 -9.812 -0.911 1.00 0.00 C ATOM 789 CD GLN A 54 7.583 -11.155 -1.510 1.00 0.00 C ATOM 790 OE1 GLN A 54 8.353 -11.917 -0.924 1.00 0.00 O ATOM 791 NE2 GLN A 54 7.037 -11.452 -2.683 1.00 0.00 N ATOM 0 H GLN A 54 6.772 -7.789 0.896 1.00 0.00 H new ATOM 0 HA GLN A 54 8.463 -9.883 1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.379 -8.018 -0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.327 -9.491 -0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.549 -9.969 -0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.654 -9.232 -1.646 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.404 -10.791 -3.133 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.250 -12.342 -3.134 1.00 0.00 H new ATOM 800 N ASP A 55 9.972 -6.991 1.546 1.00 0.00 N ATOM 801 CA ASP A 55 11.216 -6.313 1.894 1.00 0.00 C ATOM 802 C ASP A 55 11.518 -6.462 3.382 1.00 0.00 C ATOM 803 O ASP A 55 10.643 -6.264 4.225 1.00 0.00 O ATOM 804 CB ASP A 55 11.134 -4.831 1.523 1.00 0.00 C ATOM 805 CG ASP A 55 11.883 -4.513 0.244 1.00 0.00 C ATOM 806 OD1 ASP A 55 13.129 -4.441 0.289 1.00 0.00 O ATOM 807 OD2 ASP A 55 11.224 -4.334 -0.801 1.00 0.00 O ATOM 0 H ASP A 55 9.176 -6.368 1.407 1.00 0.00 H new ATOM 0 HA ASP A 55 12.025 -6.777 1.330 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.088 -4.545 1.409 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.541 -4.232 2.338 1.00 0.00 H new ATOM 812 N GLN A 56 12.761 -6.813 3.696 1.00 0.00 N ATOM 813 CA GLN A 56 13.177 -6.990 5.082 1.00 0.00 C ATOM 814 C GLN A 56 12.236 -7.940 5.816 1.00 0.00 C ATOM 815 O GLN A 56 12.384 -8.120 7.023 1.00 0.00 O ATOM 816 CB GLN A 56 13.219 -5.640 5.800 1.00 0.00 C ATOM 817 CG GLN A 56 14.629 -5.138 6.069 1.00 0.00 C ATOM 818 CD GLN A 56 14.907 -3.801 5.411 1.00 0.00 C ATOM 819 OE1 GLN A 56 14.264 -2.797 5.720 1.00 0.00 O ATOM 820 NE2 GLN A 56 15.870 -3.779 4.496 1.00 0.00 N ATOM 0 H GLN A 56 13.497 -6.980 3.010 1.00 0.00 H new ATOM 0 HA GLN A 56 14.176 -7.425 5.082 1.00 0.00 H new ATOM 0 HB2 GLN A 56 12.688 -4.902 5.199 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.685 -5.724 6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 56 14.779 -5.048 7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 56 15.348 -5.873 5.707 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.378 -4.634 4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.101 -2.907 4.020 1.00 0.00 H new TER 829 GLN A 56 HETATM 830 ZN ZN A 201 -2.095 5.813 -6.225 1.00 0.00 ZN HETATM 831 ZN ZN A 401 1.921 -6.150 3.070 1.00 0.00 ZN