USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 426 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 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 1 MET N :NH3+ -126:sc= -3.18! (180deg=-2.33!) USER MOD Set 1.2: A 3 LYS NZ :NH3+ -124:sc= -0.212 (180deg=-0.688) USER MOD Single : A 1 MET CE :methyl 151:sc= -0.11 (180deg=-0.576) USER MOD Single : A 2 GLN : amide:sc= -0.677 K(o=-0.68,f=-3.3!) USER MOD Single : A 5 ASN : amide:sc= -0.515 X(o=-0.51,f=-0.83) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0.15) USER MOD Single : A 9 GLN : amide:sc=-0.000271 X(o=-0.00027,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 140:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.73!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0329 (180deg=-0.304) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -114:sc= 0.979 (180deg=-0.702!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.2) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -39:sc= 0.767 USER MOD Single : A 53 GLN : amide:sc= -0.342 X(o=-0.34,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C MET A 1 1.583 -1.108 -2.180 1.00 1.00 C ATOM 4 O MET A 1 1.630 -0.961 -3.400 1.00 1.00 O ATOM 5 CB MET A 1 3.560 -0.204 -0.948 1.00 1.00 C ATOM 6 CG MET A 1 3.791 -1.501 -0.170 1.00 1.00 C ATOM 7 SD MET A 1 4.978 -1.228 1.134 1.00 1.00 S ATOM 8 CE MET A 1 4.020 -0.173 2.209 1.00 1.00 C ATOM 0 H1 MET A 1 0.931 0.948 0.168 1.00 1.00 H new ATOM 0 H2 MET A 1 0.551 -0.692 -0.060 1.00 1.00 H new ATOM 0 H3 MET A 1 1.957 -0.256 0.785 1.00 1.00 H new ATOM 0 HA MET A 1 1.920 0.960 -1.738 1.00 1.00 H new ATOM 0 HB2 MET A 1 4.121 -0.231 -1.882 1.00 1.00 H new ATOM 0 HB3 MET A 1 3.939 0.641 -0.374 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.850 -1.854 0.252 1.00 1.00 H new ATOM 0 HG3 MET A 1 4.151 -2.279 -0.843 1.00 1.00 H new ATOM 0 HE1 MET A 1 4.345 -0.313 3.240 1.00 1.00 H new ATOM 0 HE2 MET A 1 4.165 0.868 1.921 1.00 1.00 H new ATOM 0 HE3 MET A 1 2.964 -0.429 2.123 1.00 1.00 H new ATOM 18 N GLN A 2 1.124 -2.191 -1.571 1.00 1.00 N ATOM 19 CA GLN A 2 0.625 -3.323 -2.333 1.00 1.00 C ATOM 20 C GLN A 2 -0.873 -3.164 -2.602 1.00 1.00 C ATOM 21 O GLN A 2 -1.300 -3.129 -3.755 1.00 1.00 O ATOM 22 CB GLN A 2 0.915 -4.641 -1.612 1.00 1.00 C ATOM 23 CG GLN A 2 0.775 -5.830 -2.564 1.00 1.00 C ATOM 24 CD GLN A 2 2.003 -5.959 -3.466 1.00 1.00 C ATOM 25 OE1 GLN A 2 2.332 -5.075 -4.240 1.00 1.00 O ATOM 26 NE2 GLN A 2 2.662 -7.105 -3.323 1.00 1.00 N ATOM 0 H GLN A 2 1.087 -2.309 -0.558 1.00 1.00 H new ATOM 0 HA GLN A 2 1.146 -3.348 -3.290 1.00 1.00 H new ATOM 0 HB2 GLN A 2 1.923 -4.619 -1.198 1.00 1.00 H new ATOM 0 HB3 GLN A 2 0.229 -4.759 -0.773 1.00 1.00 H new ATOM 0 HG2 GLN A 2 0.644 -6.747 -1.989 1.00 1.00 H new ATOM 0 HG3 GLN A 2 -0.119 -5.707 -3.176 1.00 1.00 H new ATOM 0 HE21 GLN A 2 2.332 -7.803 -2.656 1.00 1.00 H new ATOM 0 HE22 GLN A 2 3.497 -7.286 -3.880 1.00 1.00 H new ATOM 35 N LYS A 3 -1.630 -3.071 -1.518 1.00 1.00 N ATOM 36 CA LYS A 3 -3.070 -2.916 -1.623 1.00 1.00 C ATOM 37 C LYS A 3 -3.684 -4.222 -2.133 1.00 1.00 C ATOM 38 O LYS A 3 -4.429 -4.884 -1.413 1.00 1.00 O ATOM 39 CB LYS A 3 -3.418 -1.698 -2.480 1.00 1.00 C ATOM 40 CG LYS A 3 -3.774 -0.495 -1.605 1.00 1.00 C ATOM 41 CD LYS A 3 -2.976 0.742 -2.021 1.00 1.00 C ATOM 42 CE LYS A 3 -1.559 0.700 -1.444 1.00 1.00 C ATOM 43 NZ LYS A 3 -1.598 0.777 0.033 1.00 1.00 N ATOM 0 H LYS A 3 -1.272 -3.100 -0.563 1.00 1.00 H new ATOM 0 HA LYS A 3 -3.503 -2.721 -0.642 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -2.574 -1.448 -3.122 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -4.256 -1.937 -3.134 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -4.841 -0.287 -1.684 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -3.571 -0.728 -0.560 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -2.928 0.800 -3.108 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -3.486 1.641 -1.676 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -1.061 -0.219 -1.753 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.973 1.529 -1.842 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -1.019 1.579 0.354 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -2.580 0.911 0.348 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -1.222 -0.105 0.437 1.00 1.00 H new ATOM 56 N GLY A 4 -3.347 -4.553 -3.371 1.00 1.00 N ATOM 57 CA GLY A 4 -3.855 -5.767 -3.986 1.00 1.00 C ATOM 58 C GLY A 4 -3.689 -6.966 -3.050 1.00 1.00 C ATOM 59 O GLY A 4 -2.735 -7.026 -2.275 1.00 1.00 O ATOM 0 H GLY A 4 -2.728 -4.001 -3.965 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -4.908 -5.639 -4.236 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -3.326 -5.954 -4.920 1.00 1.00 H new ATOM 63 N ASN A 5 -4.631 -7.892 -3.153 1.00 1.00 N ATOM 64 CA ASN A 5 -4.601 -9.086 -2.325 1.00 1.00 C ATOM 65 C ASN A 5 -4.744 -8.686 -0.855 1.00 1.00 C ATOM 66 O ASN A 5 -4.494 -7.538 -0.493 1.00 1.00 O ATOM 67 CB ASN A 5 -3.276 -9.833 -2.486 1.00 1.00 C ATOM 68 CG ASN A 5 -3.491 -11.347 -2.439 1.00 1.00 C ATOM 69 OD1 ASN A 5 -3.170 -12.017 -1.470 1.00 1.00 O ATOM 70 ND2 ASN A 5 -4.051 -11.848 -3.536 1.00 1.00 N ATOM 0 H ASN A 5 -5.420 -7.840 -3.797 1.00 1.00 H new ATOM 0 HA ASN A 5 -5.420 -9.734 -2.636 1.00 1.00 H new ATOM 0 HB2 ASN A 5 -2.812 -9.557 -3.433 1.00 1.00 H new ATOM 0 HB3 ASN A 5 -2.588 -9.535 -1.695 1.00 1.00 H new ATOM 0 HD21 ASN A 5 -4.236 -12.849 -3.602 1.00 1.00 H new ATOM 0 HD22 ASN A 5 -4.295 -11.232 -4.311 1.00 1.00 H new ATOM 77 N PHE A 6 -5.146 -9.657 -0.048 1.00 1.00 N ATOM 78 CA PHE A 6 -5.325 -9.421 1.375 1.00 1.00 C ATOM 79 C PHE A 6 -4.024 -8.936 2.018 1.00 1.00 C ATOM 80 O PHE A 6 -2.951 -9.066 1.431 1.00 1.00 O ATOM 81 CB PHE A 6 -5.723 -10.758 2.003 1.00 1.00 C ATOM 82 CG PHE A 6 -4.884 -11.944 1.526 1.00 1.00 C ATOM 83 CD1 PHE A 6 -3.543 -11.965 1.757 1.00 1.00 C ATOM 84 CD2 PHE A 6 -5.477 -12.979 0.872 1.00 1.00 C ATOM 85 CE1 PHE A 6 -2.764 -13.067 1.314 1.00 1.00 C ATOM 86 CE2 PHE A 6 -4.698 -14.080 0.430 1.00 1.00 C ATOM 87 CZ PHE A 6 -3.357 -14.101 0.660 1.00 1.00 C ATOM 0 H PHE A 6 -5.353 -10.608 -0.352 1.00 1.00 H new ATOM 0 HA PHE A 6 -6.084 -8.655 1.533 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -5.638 -10.678 3.087 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -6.772 -10.955 1.780 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -3.071 -11.144 2.277 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -6.541 -12.963 0.689 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -1.700 -13.084 1.497 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -5.170 -14.901 -0.089 1.00 1.00 H new ATOM 0 HZ PHE A 6 -2.764 -14.939 0.323 1.00 1.00 H new ATOM 97 N ARG A 7 -4.163 -8.387 3.216 1.00 1.00 N ATOM 98 CA ARG A 7 -3.012 -7.882 3.945 1.00 1.00 C ATOM 99 C ARG A 7 -2.178 -9.043 4.490 1.00 1.00 C ATOM 100 O ARG A 7 -2.352 -9.453 5.636 1.00 1.00 O ATOM 101 CB ARG A 7 -3.446 -6.986 5.107 1.00 1.00 C ATOM 102 CG ARG A 7 -2.873 -5.576 4.956 1.00 1.00 C ATOM 103 CD ARG A 7 -3.854 -4.526 5.481 1.00 1.00 C ATOM 104 NE ARG A 7 -3.885 -4.557 6.960 1.00 1.00 N ATOM 105 CZ ARG A 7 -2.996 -3.917 7.750 1.00 1.00 C ATOM 106 NH1 ARG A 7 -1.997 -3.190 7.207 1.00 1.00 N ATOM 107 NH2 ARG A 7 -3.119 -4.014 9.060 1.00 1.00 N ATOM 0 H ARG A 7 -5.055 -8.281 3.700 1.00 1.00 H new ATOM 0 HA ARG A 7 -2.412 -7.293 3.251 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -4.534 -6.938 5.147 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -3.111 -7.419 6.050 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -1.931 -5.502 5.499 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -2.652 -5.380 3.907 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -3.558 -3.535 5.136 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -4.851 -4.717 5.084 1.00 1.00 H new ATOM 0 HE ARG A 7 -4.624 -5.096 7.411 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -1.909 -3.121 6.193 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -1.330 -2.710 7.810 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -3.877 -4.566 9.462 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -2.456 -3.537 9.671 1.00 1.00 H new ATOM 120 N ASN A 8 -1.289 -9.540 3.642 1.00 1.00 N ATOM 121 CA ASN A 8 -0.427 -10.645 4.024 1.00 1.00 C ATOM 122 C ASN A 8 0.421 -11.064 2.821 1.00 1.00 C ATOM 123 O ASN A 8 -0.114 -11.479 1.794 1.00 1.00 O ATOM 124 CB ASN A 8 -1.249 -11.857 4.468 1.00 1.00 C ATOM 125 CG ASN A 8 -0.373 -13.108 4.566 1.00 1.00 C ATOM 126 OD1 ASN A 8 -0.519 -14.059 3.817 1.00 1.00 O ATOM 127 ND2 ASN A 8 0.542 -13.053 5.529 1.00 1.00 N ATOM 0 H ASN A 8 -1.147 -9.197 2.692 1.00 1.00 H new ATOM 0 HA ASN A 8 0.201 -10.313 4.851 1.00 1.00 H new ATOM 0 HB2 ASN A 8 -1.709 -11.654 5.435 1.00 1.00 H new ATOM 0 HB3 ASN A 8 -2.059 -12.031 3.760 1.00 1.00 H new ATOM 0 HD21 ASN A 8 1.176 -13.839 5.676 1.00 1.00 H new ATOM 0 HD22 ASN A 8 0.610 -12.225 6.121 1.00 1.00 H new ATOM 134 N GLN A 9 1.730 -10.942 2.989 1.00 1.00 N ATOM 135 CA GLN A 9 2.657 -11.303 1.930 1.00 1.00 C ATOM 136 C GLN A 9 3.651 -12.353 2.429 1.00 1.00 C ATOM 137 O GLN A 9 4.200 -12.223 3.522 1.00 1.00 O ATOM 138 CB GLN A 9 3.386 -10.068 1.395 1.00 1.00 C ATOM 139 CG GLN A 9 2.564 -9.376 0.306 1.00 1.00 C ATOM 140 CD GLN A 9 1.870 -8.127 0.853 1.00 1.00 C ATOM 141 OE1 GLN A 9 0.662 -8.081 1.021 1.00 1.00 O ATOM 142 NE2 GLN A 9 2.697 -7.121 1.121 1.00 1.00 N ATOM 0 H GLN A 9 2.170 -10.598 3.842 1.00 1.00 H new ATOM 0 HA GLN A 9 2.087 -11.733 1.106 1.00 1.00 H new ATOM 0 HB2 GLN A 9 3.575 -9.371 2.211 1.00 1.00 H new ATOM 0 HB3 GLN A 9 4.356 -10.360 0.993 1.00 1.00 H new ATOM 0 HG2 GLN A 9 3.213 -9.101 -0.525 1.00 1.00 H new ATOM 0 HG3 GLN A 9 1.819 -10.068 -0.087 1.00 1.00 H new ATOM 0 HE21 GLN A 9 3.698 -7.226 0.957 1.00 1.00 H new ATOM 0 HE22 GLN A 9 2.330 -6.244 1.491 1.00 1.00 H new ATOM 151 N ARG A 10 3.852 -13.370 1.605 1.00 1.00 N ATOM 152 CA ARG A 10 4.771 -14.442 1.949 1.00 1.00 C ATOM 153 C ARG A 10 5.049 -15.317 0.725 1.00 1.00 C ATOM 154 O ARG A 10 6.203 -15.605 0.414 1.00 1.00 O ATOM 155 CB ARG A 10 4.203 -15.314 3.072 1.00 1.00 C ATOM 156 CG ARG A 10 5.232 -15.509 4.188 1.00 1.00 C ATOM 157 CD ARG A 10 4.591 -15.314 5.564 1.00 1.00 C ATOM 158 NE ARG A 10 5.633 -15.339 6.615 1.00 1.00 N ATOM 159 CZ ARG A 10 6.223 -16.465 7.069 1.00 1.00 C ATOM 160 NH1 ARG A 10 5.878 -17.669 6.567 1.00 1.00 N ATOM 161 NH2 ARG A 10 7.142 -16.370 8.012 1.00 1.00 N ATOM 0 H ARG A 10 3.394 -13.475 0.700 1.00 1.00 H new ATOM 0 HA ARG A 10 5.700 -13.986 2.292 1.00 1.00 H new ATOM 0 HB2 ARG A 10 3.304 -14.850 3.478 1.00 1.00 H new ATOM 0 HB3 ARG A 10 3.908 -16.284 2.671 1.00 1.00 H new ATOM 0 HG2 ARG A 10 5.662 -16.509 4.121 1.00 1.00 H new ATOM 0 HG3 ARG A 10 6.051 -14.801 4.061 1.00 1.00 H new ATOM 0 HD2 ARG A 10 4.055 -14.365 5.594 1.00 1.00 H new ATOM 0 HD3 ARG A 10 3.858 -16.100 5.748 1.00 1.00 H new ATOM 0 HE ARG A 10 5.923 -14.450 7.022 1.00 1.00 H new ATOM 0 HH11 ARG A 10 5.167 -17.733 5.839 1.00 1.00 H new ATOM 0 HH12 ARG A 10 6.329 -18.515 6.916 1.00 1.00 H new ATOM 0 HH21 ARG A 10 7.396 -15.456 8.386 1.00 1.00 H new ATOM 0 HH22 ARG A 10 7.598 -17.211 8.366 1.00 1.00 H new ATOM 174 N LYS A 11 3.972 -15.714 0.064 1.00 1.00 N ATOM 175 CA LYS A 11 4.086 -16.549 -1.120 1.00 1.00 C ATOM 176 C LYS A 11 3.791 -15.708 -2.363 1.00 1.00 C ATOM 177 O LYS A 11 4.430 -15.882 -3.400 1.00 1.00 O ATOM 178 CB LYS A 11 3.196 -17.787 -0.989 1.00 1.00 C ATOM 179 CG LYS A 11 3.531 -18.573 0.280 1.00 1.00 C ATOM 180 CD LYS A 11 4.843 -19.342 0.118 1.00 1.00 C ATOM 181 CE LYS A 11 5.559 -19.496 1.461 1.00 1.00 C ATOM 182 NZ LYS A 11 6.978 -19.860 1.254 1.00 1.00 N ATOM 0 H LYS A 11 3.016 -15.473 0.326 1.00 1.00 H new ATOM 0 HA LYS A 11 5.104 -16.925 -1.225 1.00 1.00 H new ATOM 0 HB2 LYS A 11 2.149 -17.485 -0.968 1.00 1.00 H new ATOM 0 HB3 LYS A 11 3.326 -18.427 -1.862 1.00 1.00 H new ATOM 0 HG2 LYS A 11 3.608 -17.890 1.126 1.00 1.00 H new ATOM 0 HG3 LYS A 11 2.723 -19.269 0.505 1.00 1.00 H new ATOM 0 HD2 LYS A 11 4.642 -20.326 -0.306 1.00 1.00 H new ATOM 0 HD3 LYS A 11 5.491 -18.819 -0.585 1.00 1.00 H new ATOM 0 HE2 LYS A 11 5.495 -18.564 2.023 1.00 1.00 H new ATOM 0 HE3 LYS A 11 5.064 -20.262 2.058 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 7.449 -19.960 2.176 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 7.033 -20.761 0.737 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 7.451 -19.115 0.703 1.00 1.00 H new ATOM 195 N THR A 12 2.824 -14.814 -2.218 1.00 1.00 N ATOM 196 CA THR A 12 2.437 -13.946 -3.317 1.00 1.00 C ATOM 197 C THR A 12 3.674 -13.468 -4.080 1.00 1.00 C ATOM 198 O THR A 12 3.610 -13.227 -5.285 1.00 1.00 O ATOM 199 CB THR A 12 1.598 -12.802 -2.742 1.00 1.00 C ATOM 200 OG1 THR A 12 2.458 -12.186 -1.788 1.00 1.00 O ATOM 201 CG2 THR A 12 0.416 -13.303 -1.910 1.00 1.00 C ATOM 0 H THR A 12 2.297 -14.672 -1.356 1.00 1.00 H new ATOM 0 HA THR A 12 1.829 -14.479 -4.048 1.00 1.00 H new ATOM 0 HB THR A 12 1.230 -12.178 -3.556 1.00 1.00 H new ATOM 0 HG1 THR A 12 2.356 -11.212 -1.837 1.00 1.00 H new ATOM 0 HG21 THR A 12 -0.146 -12.451 -1.526 1.00 1.00 H new ATOM 0 HG22 THR A 12 -0.235 -13.915 -2.534 1.00 1.00 H new ATOM 0 HG23 THR A 12 0.785 -13.900 -1.076 1.00 1.00 H new ATOM 209 N VAL A 13 4.771 -13.345 -3.348 1.00 1.00 N ATOM 210 CA VAL A 13 6.021 -12.901 -3.941 1.00 1.00 C ATOM 211 C VAL A 13 6.254 -13.653 -5.252 1.00 1.00 C ATOM 212 O VAL A 13 5.744 -14.757 -5.438 1.00 1.00 O ATOM 213 CB VAL A 13 7.166 -13.074 -2.940 1.00 1.00 C ATOM 214 CG1 VAL A 13 7.023 -12.099 -1.770 1.00 1.00 C ATOM 215 CG2 VAL A 13 7.245 -14.519 -2.443 1.00 1.00 C ATOM 0 H VAL A 13 4.820 -13.545 -2.349 1.00 1.00 H new ATOM 0 HA VAL A 13 5.974 -11.839 -4.180 1.00 1.00 H new ATOM 0 HB VAL A 13 8.099 -12.845 -3.455 1.00 1.00 H new ATOM 0 HG11 VAL A 13 7.849 -12.243 -1.074 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.039 -11.076 -2.145 1.00 1.00 H new ATOM 0 HG13 VAL A 13 6.079 -12.283 -1.256 1.00 1.00 H new ATOM 0 HG21 VAL A 13 8.067 -14.615 -1.733 1.00 1.00 H new ATOM 0 HG22 VAL A 13 6.309 -14.787 -1.953 1.00 1.00 H new ATOM 0 HG23 VAL A 13 7.416 -15.186 -3.288 1.00 1.00 H new ATOM 225 N LYS A 14 7.026 -13.026 -6.128 1.00 1.00 N ATOM 226 CA LYS A 14 7.333 -13.622 -7.417 1.00 1.00 C ATOM 227 C LYS A 14 8.841 -13.857 -7.519 1.00 1.00 C ATOM 228 O LYS A 14 9.632 -12.949 -7.271 1.00 1.00 O ATOM 229 CB LYS A 14 6.765 -12.767 -8.552 1.00 1.00 C ATOM 230 CG LYS A 14 7.527 -11.446 -8.677 1.00 1.00 C ATOM 231 CD LYS A 14 6.634 -10.351 -9.263 1.00 1.00 C ATOM 232 CE LYS A 14 7.434 -9.423 -10.179 1.00 1.00 C ATOM 233 NZ LYS A 14 7.775 -8.167 -9.475 1.00 1.00 N ATOM 0 H LYS A 14 7.448 -12.111 -5.970 1.00 1.00 H new ATOM 0 HA LYS A 14 6.851 -14.595 -7.511 1.00 1.00 H new ATOM 0 HB2 LYS A 14 6.826 -13.316 -9.491 1.00 1.00 H new ATOM 0 HB3 LYS A 14 5.710 -12.566 -8.368 1.00 1.00 H new ATOM 0 HG2 LYS A 14 7.891 -11.138 -7.697 1.00 1.00 H new ATOM 0 HG3 LYS A 14 8.402 -11.585 -9.312 1.00 1.00 H new ATOM 0 HD2 LYS A 14 5.816 -10.805 -9.823 1.00 1.00 H new ATOM 0 HD3 LYS A 14 6.185 -9.772 -8.456 1.00 1.00 H new ATOM 0 HE2 LYS A 14 8.346 -9.923 -10.506 1.00 1.00 H new ATOM 0 HE3 LYS A 14 6.855 -9.199 -11.075 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 8.318 -7.549 -10.111 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 6.901 -7.683 -9.185 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 8.346 -8.385 -8.633 1.00 1.00 H new ATOM 246 N CYS A 15 9.194 -15.081 -7.885 1.00 1.00 N ATOM 247 CA CYS A 15 10.593 -15.446 -8.023 1.00 1.00 C ATOM 248 C CYS A 15 11.100 -14.911 -9.363 1.00 1.00 C ATOM 249 O CYS A 15 10.708 -15.403 -10.420 1.00 1.00 O ATOM 250 CB CYS A 15 10.798 -16.958 -7.898 1.00 1.00 C ATOM 251 SG CYS A 15 12.574 -17.365 -8.071 1.00 1.00 S ATOM 0 H CYS A 15 8.535 -15.832 -8.090 1.00 1.00 H new ATOM 0 HA CYS A 15 11.169 -14.999 -7.213 1.00 1.00 H new ATOM 0 HB2 CYS A 15 10.429 -17.305 -6.933 1.00 1.00 H new ATOM 0 HB3 CYS A 15 10.221 -17.476 -8.664 1.00 1.00 H new ATOM 256 N PHE A 16 11.963 -13.909 -9.276 1.00 1.00 N ATOM 257 CA PHE A 16 12.527 -13.302 -10.469 1.00 1.00 C ATOM 258 C PHE A 16 13.754 -14.078 -10.952 1.00 1.00 C ATOM 259 O PHE A 16 14.494 -13.603 -11.812 1.00 1.00 O ATOM 260 CB PHE A 16 12.953 -11.882 -10.089 1.00 1.00 C ATOM 261 CG PHE A 16 12.414 -10.799 -11.026 1.00 1.00 C ATOM 262 CD1 PHE A 16 11.077 -10.702 -11.255 1.00 1.00 C ATOM 263 CD2 PHE A 16 13.272 -9.933 -11.629 1.00 1.00 C ATOM 264 CE1 PHE A 16 10.576 -9.696 -12.124 1.00 1.00 C ATOM 265 CE2 PHE A 16 12.772 -8.928 -12.499 1.00 1.00 C ATOM 266 CZ PHE A 16 11.434 -8.831 -12.727 1.00 1.00 C ATOM 0 H PHE A 16 12.285 -13.503 -8.398 1.00 1.00 H new ATOM 0 HA PHE A 16 11.790 -13.305 -11.272 1.00 1.00 H new ATOM 0 HB2 PHE A 16 12.615 -11.671 -9.074 1.00 1.00 H new ATOM 0 HB3 PHE A 16 14.042 -11.831 -10.079 1.00 1.00 H new ATOM 0 HD1 PHE A 16 10.396 -11.390 -10.776 1.00 1.00 H new ATOM 0 HD2 PHE A 16 14.334 -10.010 -11.446 1.00 1.00 H new ATOM 0 HE1 PHE A 16 9.514 -9.618 -12.305 1.00 1.00 H new ATOM 0 HE2 PHE A 16 13.453 -8.241 -12.979 1.00 1.00 H new ATOM 0 HZ PHE A 16 11.053 -8.066 -13.388 1.00 1.00 H new ATOM 276 N ASN A 17 13.932 -15.258 -10.377 1.00 1.00 N ATOM 277 CA ASN A 17 15.057 -16.104 -10.738 1.00 1.00 C ATOM 278 C ASN A 17 14.581 -17.195 -11.698 1.00 1.00 C ATOM 279 O ASN A 17 15.265 -17.514 -12.670 1.00 1.00 O ATOM 280 CB ASN A 17 15.651 -16.786 -9.504 1.00 1.00 C ATOM 281 CG ASN A 17 16.999 -17.433 -9.830 1.00 1.00 C ATOM 282 OD1 ASN A 17 17.378 -17.592 -10.979 1.00 1.00 O ATOM 283 ND2 ASN A 17 17.698 -17.796 -8.759 1.00 1.00 N ATOM 0 H ASN A 17 13.316 -15.648 -9.664 1.00 1.00 H new ATOM 0 HA ASN A 17 15.816 -15.476 -11.203 1.00 1.00 H new ATOM 0 HB2 ASN A 17 15.778 -16.055 -8.706 1.00 1.00 H new ATOM 0 HB3 ASN A 17 14.960 -17.544 -9.135 1.00 1.00 H new ATOM 0 HD21 ASN A 17 18.611 -18.237 -8.871 1.00 1.00 H new ATOM 0 HD22 ASN A 17 17.321 -17.633 -7.825 1.00 1.00 H new ATOM 290 N CYS A 18 13.411 -17.739 -11.393 1.00 1.00 N ATOM 291 CA CYS A 18 12.836 -18.788 -12.217 1.00 1.00 C ATOM 292 C CYS A 18 11.623 -18.212 -12.950 1.00 1.00 C ATOM 293 O CYS A 18 11.411 -18.497 -14.128 1.00 1.00 O ATOM 294 CB CYS A 18 12.470 -20.021 -11.389 1.00 1.00 C ATOM 295 SG CYS A 18 11.322 -19.554 -10.043 1.00 1.00 S ATOM 0 H CYS A 18 12.846 -17.472 -10.587 1.00 1.00 H new ATOM 0 HA CYS A 18 13.573 -19.127 -12.946 1.00 1.00 H new ATOM 0 HB2 CYS A 18 12.008 -20.774 -12.028 1.00 1.00 H new ATOM 0 HB3 CYS A 18 13.371 -20.468 -10.970 1.00 1.00 H new ATOM 300 N GLY A 19 10.857 -17.412 -12.222 1.00 1.00 N ATOM 301 CA GLY A 19 9.670 -16.794 -12.788 1.00 1.00 C ATOM 302 C GLY A 19 8.400 -17.486 -12.289 1.00 1.00 C ATOM 303 O GLY A 19 7.381 -17.494 -12.979 1.00 1.00 O ATOM 0 H GLY A 19 11.035 -17.178 -11.245 1.00 1.00 H new ATOM 0 HA2 GLY A 19 9.642 -15.738 -12.519 1.00 1.00 H new ATOM 0 HA3 GLY A 19 9.713 -16.845 -13.876 1.00 1.00 H new ATOM 307 N LYS A 20 8.502 -18.051 -11.095 1.00 1.00 N ATOM 308 CA LYS A 20 7.374 -18.744 -10.496 1.00 1.00 C ATOM 309 C LYS A 20 6.977 -18.036 -9.199 1.00 1.00 C ATOM 310 O LYS A 20 7.838 -17.654 -8.407 1.00 1.00 O ATOM 311 CB LYS A 20 7.694 -20.229 -10.313 1.00 1.00 C ATOM 312 CG LYS A 20 7.223 -21.044 -11.520 1.00 1.00 C ATOM 313 CD LYS A 20 7.381 -22.544 -11.264 1.00 1.00 C ATOM 314 CE LYS A 20 6.081 -23.149 -10.732 1.00 1.00 C ATOM 315 NZ LYS A 20 6.343 -24.461 -10.097 1.00 1.00 N ATOM 0 H LYS A 20 9.349 -18.043 -10.526 1.00 1.00 H new ATOM 0 HA LYS A 20 6.509 -18.707 -11.158 1.00 1.00 H new ATOM 0 HB2 LYS A 20 8.768 -20.359 -10.178 1.00 1.00 H new ATOM 0 HB3 LYS A 20 7.212 -20.600 -9.409 1.00 1.00 H new ATOM 0 HG2 LYS A 20 6.179 -20.816 -11.732 1.00 1.00 H new ATOM 0 HG3 LYS A 20 7.797 -20.759 -12.402 1.00 1.00 H new ATOM 0 HD2 LYS A 20 7.669 -23.046 -12.188 1.00 1.00 H new ATOM 0 HD3 LYS A 20 8.185 -22.712 -10.547 1.00 1.00 H new ATOM 0 HE2 LYS A 20 5.627 -22.472 -10.008 1.00 1.00 H new ATOM 0 HE3 LYS A 20 5.368 -23.269 -11.548 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 5.450 -24.859 -9.741 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 6.756 -25.109 -10.797 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 7.007 -24.337 -9.306 1.00 1.00 H new ATOM 328 N GLU A 21 5.673 -17.883 -9.021 1.00 1.00 N ATOM 329 CA GLU A 21 5.151 -17.229 -7.833 1.00 1.00 C ATOM 330 C GLU A 21 5.096 -18.214 -6.665 1.00 1.00 C ATOM 331 O GLU A 21 4.803 -19.393 -6.856 1.00 1.00 O ATOM 332 CB GLU A 21 3.774 -16.620 -8.103 1.00 1.00 C ATOM 333 CG GLU A 21 2.727 -17.713 -8.328 1.00 1.00 C ATOM 334 CD GLU A 21 1.340 -17.106 -8.552 1.00 1.00 C ATOM 335 OE1 GLU A 21 0.820 -17.145 -9.677 1.00 1.00 O ATOM 336 OE2 GLU A 21 0.800 -16.581 -7.504 1.00 1.00 O ATOM 0 H GLU A 21 4.962 -18.201 -9.680 1.00 1.00 H new ATOM 0 HA GLU A 21 5.825 -16.416 -7.564 1.00 1.00 H new ATOM 0 HB2 GLU A 21 3.477 -15.995 -7.261 1.00 1.00 H new ATOM 0 HB3 GLU A 21 3.824 -15.973 -8.979 1.00 1.00 H new ATOM 0 HG2 GLU A 21 3.007 -18.318 -9.191 1.00 1.00 H new ATOM 0 HG3 GLU A 21 2.701 -18.380 -7.466 1.00 1.00 H new ATOM 344 N GLY A 22 5.383 -17.695 -5.480 1.00 1.00 N ATOM 345 CA GLY A 22 5.370 -18.514 -4.280 1.00 1.00 C ATOM 346 C GLY A 22 6.672 -18.354 -3.493 1.00 1.00 C ATOM 347 O GLY A 22 6.803 -18.883 -2.390 1.00 1.00 O ATOM 0 H GLY A 22 5.626 -16.717 -5.325 1.00 1.00 H new ATOM 0 HA2 GLY A 22 4.525 -18.232 -3.652 1.00 1.00 H new ATOM 0 HA3 GLY A 22 5.231 -19.561 -4.551 1.00 1.00 H new ATOM 351 N HIS A 23 7.601 -17.623 -4.090 1.00 1.00 N ATOM 352 CA HIS A 23 8.888 -17.386 -3.457 1.00 1.00 C ATOM 353 C HIS A 23 9.625 -16.268 -4.197 1.00 1.00 C ATOM 354 O HIS A 23 9.150 -15.777 -5.220 1.00 1.00 O ATOM 355 CB HIS A 23 9.700 -18.681 -3.378 1.00 1.00 C ATOM 356 CG HIS A 23 10.188 -19.183 -4.716 1.00 1.00 C ATOM 357 ND1 HIS A 23 9.375 -19.870 -5.600 1.00 1.00 N ATOM 358 CD2 HIS A 23 11.411 -19.089 -5.311 1.00 1.00 C ATOM 359 CE1 HIS A 23 10.088 -20.173 -6.675 1.00 1.00 C ATOM 360 NE2 HIS A 23 11.350 -19.688 -6.494 1.00 1.00 N ATOM 0 H HIS A 23 7.489 -17.187 -5.005 1.00 1.00 H new ATOM 0 HA HIS A 23 8.738 -17.056 -2.429 1.00 1.00 H new ATOM 0 HB2 HIS A 23 10.559 -18.520 -2.727 1.00 1.00 H new ATOM 0 HB3 HIS A 23 9.088 -19.454 -2.913 1.00 1.00 H new ATOM 0 HD1 HIS A 23 8.394 -20.104 -5.450 1.00 1.00 H new ATOM 0 HD2 HIS A 23 12.282 -18.608 -4.891 1.00 1.00 H new ATOM 0 HE1 HIS A 23 9.732 -20.710 -7.542 1.00 1.00 H new ATOM 368 N ILE A 24 10.774 -15.898 -3.650 1.00 1.00 N ATOM 369 CA ILE A 24 11.581 -14.847 -4.245 1.00 1.00 C ATOM 370 C ILE A 24 12.851 -15.459 -4.838 1.00 1.00 C ATOM 371 O ILE A 24 13.208 -16.591 -4.516 1.00 1.00 O ATOM 372 CB ILE A 24 11.851 -13.737 -3.226 1.00 1.00 C ATOM 373 CG1 ILE A 24 12.492 -14.302 -1.957 1.00 1.00 C ATOM 374 CG2 ILE A 24 10.575 -12.949 -2.922 1.00 1.00 C ATOM 375 CD1 ILE A 24 12.802 -13.187 -0.956 1.00 1.00 C ATOM 0 H ILE A 24 11.165 -16.307 -2.801 1.00 1.00 H new ATOM 0 HA ILE A 24 11.043 -14.372 -5.065 1.00 1.00 H new ATOM 0 HB ILE A 24 12.564 -13.038 -3.663 1.00 1.00 H new ATOM 0 HG12 ILE A 24 11.822 -15.030 -1.500 1.00 1.00 H new ATOM 0 HG13 ILE A 24 13.410 -14.831 -2.213 1.00 1.00 H new ATOM 0 HG21 ILE A 24 10.795 -12.167 -2.195 1.00 1.00 H new ATOM 0 HG22 ILE A 24 10.199 -12.497 -3.840 1.00 1.00 H new ATOM 0 HG23 ILE A 24 9.821 -13.622 -2.514 1.00 1.00 H new ATOM 0 HD11 ILE A 24 13.257 -13.616 -0.063 1.00 1.00 H new ATOM 0 HD12 ILE A 24 13.491 -12.474 -1.408 1.00 1.00 H new ATOM 0 HD13 ILE A 24 11.879 -12.676 -0.683 1.00 1.00 H new ATOM 387 N ALA A 25 13.499 -14.684 -5.695 1.00 1.00 N ATOM 388 CA ALA A 25 14.722 -15.136 -6.336 1.00 1.00 C ATOM 389 C ALA A 25 15.750 -15.502 -5.264 1.00 1.00 C ATOM 390 O ALA A 25 16.431 -16.521 -5.373 1.00 1.00 O ATOM 391 CB ALA A 25 15.232 -14.050 -7.286 1.00 1.00 C ATOM 0 H ALA A 25 13.200 -13.746 -5.961 1.00 1.00 H new ATOM 0 HA ALA A 25 14.535 -16.029 -6.932 1.00 1.00 H new ATOM 0 HB1 ALA A 25 16.150 -14.389 -7.767 1.00 1.00 H new ATOM 0 HB2 ALA A 25 14.477 -13.848 -8.046 1.00 1.00 H new ATOM 0 HB3 ALA A 25 15.433 -13.139 -6.723 1.00 1.00 H new ATOM 397 N LYS A 26 15.831 -14.651 -4.252 1.00 1.00 N ATOM 398 CA LYS A 26 16.764 -14.872 -3.161 1.00 1.00 C ATOM 399 C LYS A 26 16.383 -16.156 -2.422 1.00 1.00 C ATOM 400 O LYS A 26 17.199 -16.725 -1.697 1.00 1.00 O ATOM 401 CB LYS A 26 16.833 -13.640 -2.256 1.00 1.00 C ATOM 402 CG LYS A 26 17.952 -13.780 -1.222 1.00 1.00 C ATOM 403 CD LYS A 26 18.168 -12.467 -0.466 1.00 1.00 C ATOM 404 CE LYS A 26 19.058 -12.681 0.760 1.00 1.00 C ATOM 405 NZ LYS A 26 20.452 -12.280 0.464 1.00 1.00 N ATOM 0 H LYS A 26 15.265 -13.807 -4.165 1.00 1.00 H new ATOM 0 HA LYS A 26 17.774 -15.013 -3.547 1.00 1.00 H new ATOM 0 HB2 LYS A 26 17.002 -12.749 -2.861 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.878 -13.504 -1.748 1.00 1.00 H new ATOM 0 HG2 LYS A 26 17.703 -14.573 -0.517 1.00 1.00 H new ATOM 0 HG3 LYS A 26 18.877 -14.074 -1.719 1.00 1.00 H new ATOM 0 HD2 LYS A 26 18.626 -11.733 -1.129 1.00 1.00 H new ATOM 0 HD3 LYS A 26 17.206 -12.060 -0.155 1.00 1.00 H new ATOM 0 HE2 LYS A 26 18.677 -12.100 1.600 1.00 1.00 H new ATOM 0 HE3 LYS A 26 19.030 -13.729 1.059 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 21.043 -12.431 1.306 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 20.818 -12.852 -0.323 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 20.475 -11.274 0.201 1.00 1.00 H new ATOM 418 N ASN A 27 15.144 -16.576 -2.631 1.00 1.00 N ATOM 419 CA ASN A 27 14.645 -17.783 -1.993 1.00 1.00 C ATOM 420 C ASN A 27 14.340 -18.831 -3.065 1.00 1.00 C ATOM 421 O ASN A 27 13.448 -19.660 -2.891 1.00 1.00 O ATOM 422 CB ASN A 27 13.354 -17.505 -1.222 1.00 1.00 C ATOM 423 CG ASN A 27 13.324 -18.282 0.096 1.00 1.00 C ATOM 424 OD1 ASN A 27 12.580 -19.233 0.269 1.00 1.00 O ATOM 425 ND2 ASN A 27 14.172 -17.825 1.013 1.00 1.00 N ATOM 0 H ASN A 27 14.471 -16.102 -3.233 1.00 1.00 H new ATOM 0 HA ASN A 27 15.408 -18.139 -1.301 1.00 1.00 H new ATOM 0 HB2 ASN A 27 13.269 -16.437 -1.021 1.00 1.00 H new ATOM 0 HB3 ASN A 27 12.495 -17.784 -1.832 1.00 1.00 H new ATOM 0 HD21 ASN A 27 14.227 -18.276 1.926 1.00 1.00 H new ATOM 0 HD22 ASN A 27 14.767 -17.024 0.803 1.00 1.00 H new ATOM 432 N CYS A 28 15.096 -18.760 -4.150 1.00 1.00 N ATOM 433 CA CYS A 28 14.917 -19.692 -5.250 1.00 1.00 C ATOM 434 C CYS A 28 15.786 -20.923 -4.983 1.00 1.00 C ATOM 435 O CYS A 28 17.004 -20.811 -4.852 1.00 1.00 O ATOM 436 CB CYS A 28 15.243 -19.046 -6.598 1.00 1.00 C ATOM 437 SG CYS A 28 14.869 -20.213 -7.958 1.00 1.00 S ATOM 0 H CYS A 28 15.835 -18.071 -4.291 1.00 1.00 H new ATOM 0 HA CYS A 28 13.871 -19.992 -5.308 1.00 1.00 H new ATOM 0 HB2 CYS A 28 14.663 -18.132 -6.722 1.00 1.00 H new ATOM 0 HB3 CYS A 28 16.295 -18.763 -6.630 1.00 1.00 H new ATOM 442 N ARG A 29 15.126 -22.069 -4.909 1.00 1.00 N ATOM 443 CA ARG A 29 15.823 -23.320 -4.660 1.00 1.00 C ATOM 444 C ARG A 29 15.931 -24.134 -5.951 1.00 1.00 C ATOM 445 O ARG A 29 16.498 -25.225 -5.955 1.00 1.00 O ATOM 446 CB ARG A 29 15.100 -24.151 -3.599 1.00 1.00 C ATOM 447 CG ARG A 29 16.088 -25.016 -2.813 1.00 1.00 C ATOM 448 CD ARG A 29 15.912 -24.817 -1.306 1.00 1.00 C ATOM 449 NE ARG A 29 17.034 -25.451 -0.578 1.00 1.00 N ATOM 450 CZ ARG A 29 17.218 -26.785 -0.485 1.00 1.00 C ATOM 451 NH1 ARG A 29 16.355 -27.639 -1.075 1.00 1.00 N ATOM 452 NH2 ARG A 29 18.256 -27.242 0.192 1.00 1.00 N ATOM 0 H ARG A 29 14.116 -22.158 -5.017 1.00 1.00 H new ATOM 0 HA ARG A 29 16.821 -23.077 -4.296 1.00 1.00 H new ATOM 0 HB2 ARG A 29 14.566 -23.490 -2.916 1.00 1.00 H new ATOM 0 HB3 ARG A 29 14.354 -24.787 -4.076 1.00 1.00 H new ATOM 0 HG2 ARG A 29 15.938 -26.066 -3.065 1.00 1.00 H new ATOM 0 HG3 ARG A 29 17.108 -24.762 -3.100 1.00 1.00 H new ATOM 0 HD2 ARG A 29 15.872 -23.753 -1.073 1.00 1.00 H new ATOM 0 HD3 ARG A 29 14.966 -25.250 -0.982 1.00 1.00 H new ATOM 0 HE ARG A 29 17.710 -24.842 -0.118 1.00 1.00 H new ATOM 0 HH11 ARG A 29 15.556 -27.278 -1.596 1.00 1.00 H new ATOM 0 HH12 ARG A 29 16.502 -28.646 -1.000 1.00 1.00 H new ATOM 0 HH21 ARG A 29 18.903 -26.590 0.635 1.00 1.00 H new ATOM 0 HH22 ARG A 29 18.410 -28.247 0.272 1.00 1.00 H new ATOM 465 N ALA A 30 15.377 -23.572 -7.015 1.00 1.00 N ATOM 466 CA ALA A 30 15.404 -24.232 -8.309 1.00 1.00 C ATOM 467 C ALA A 30 15.135 -25.726 -8.120 1.00 1.00 C ATOM 468 O ALA A 30 16.062 -26.535 -8.143 1.00 1.00 O ATOM 469 CB ALA A 30 16.746 -23.963 -8.992 1.00 1.00 C ATOM 0 H ALA A 30 14.907 -22.667 -7.007 1.00 1.00 H new ATOM 0 HA ALA A 30 14.623 -23.836 -8.958 1.00 1.00 H new ATOM 0 HB1 ALA A 30 16.766 -24.458 -9.963 1.00 1.00 H new ATOM 0 HB2 ALA A 30 16.876 -22.890 -9.130 1.00 1.00 H new ATOM 0 HB3 ALA A 30 17.554 -24.349 -8.371 1.00 1.00 H new ATOM 475 N PRO A 31 13.829 -26.056 -7.933 1.00 1.00 N ATOM 476 CA PRO A 31 13.427 -27.439 -7.740 1.00 1.00 C ATOM 477 C PRO A 31 13.468 -28.212 -9.060 1.00 1.00 C ATOM 478 O PRO A 31 13.075 -27.689 -10.102 1.00 1.00 O ATOM 479 CB PRO A 31 12.032 -27.363 -7.140 1.00 1.00 C ATOM 480 CG PRO A 31 11.521 -25.965 -7.450 1.00 1.00 C ATOM 481 CD PRO A 31 12.705 -25.125 -7.900 1.00 1.00 C ATOM 0 HA PRO A 31 14.102 -27.984 -7.080 1.00 1.00 H new ATOM 0 HB2 PRO A 31 11.379 -28.122 -7.571 1.00 1.00 H new ATOM 0 HB3 PRO A 31 12.059 -27.540 -6.065 1.00 1.00 H new ATOM 0 HG2 PRO A 31 10.760 -26.001 -8.230 1.00 1.00 H new ATOM 0 HG3 PRO A 31 11.054 -25.525 -6.569 1.00 1.00 H new ATOM 0 HD2 PRO A 31 12.527 -24.684 -8.881 1.00 1.00 H new ATOM 0 HD3 PRO A 31 12.892 -24.303 -7.210 1.00 1.00 H new ATOM 489 N ARG A 32 13.949 -29.443 -8.973 1.00 1.00 N ATOM 490 CA ARG A 32 14.047 -30.293 -10.147 1.00 1.00 C ATOM 491 C ARG A 32 12.706 -30.339 -10.883 1.00 1.00 C ATOM 492 O ARG A 32 11.659 -30.087 -10.289 1.00 1.00 O ATOM 493 CB ARG A 32 14.460 -31.716 -9.765 1.00 1.00 C ATOM 494 CG ARG A 32 15.436 -32.298 -10.790 1.00 1.00 C ATOM 495 CD ARG A 32 15.657 -33.792 -10.549 1.00 1.00 C ATOM 496 NE ARG A 32 16.373 -33.998 -9.270 1.00 1.00 N ATOM 497 CZ ARG A 32 16.504 -35.196 -8.660 1.00 1.00 C ATOM 498 NH1 ARG A 32 15.968 -36.306 -9.209 1.00 1.00 N ATOM 499 NH2 ARG A 32 17.165 -35.264 -7.519 1.00 1.00 N ATOM 0 H ARG A 32 14.275 -29.872 -8.107 1.00 1.00 H new ATOM 0 HA ARG A 32 14.810 -29.869 -10.800 1.00 1.00 H new ATOM 0 HB2 ARG A 32 14.923 -31.711 -8.778 1.00 1.00 H new ATOM 0 HB3 ARG A 32 13.576 -32.350 -9.699 1.00 1.00 H new ATOM 0 HG2 ARG A 32 15.048 -32.142 -11.797 1.00 1.00 H new ATOM 0 HG3 ARG A 32 16.389 -31.771 -10.730 1.00 1.00 H new ATOM 0 HD2 ARG A 32 14.699 -34.311 -10.526 1.00 1.00 H new ATOM 0 HD3 ARG A 32 16.232 -34.220 -11.370 1.00 1.00 H new ATOM 0 HE ARG A 32 16.794 -33.184 -8.821 1.00 1.00 H new ATOM 0 HH11 ARG A 32 15.459 -36.244 -10.091 1.00 1.00 H new ATOM 0 HH12 ARG A 32 16.071 -37.207 -8.742 1.00 1.00 H new ATOM 0 HH21 ARG A 32 17.567 -34.420 -7.112 1.00 1.00 H new ATOM 0 HH22 ARG A 32 17.273 -36.161 -7.045 1.00 1.00 H new ATOM 512 N LYS A 33 12.782 -30.663 -12.166 1.00 1.00 N ATOM 513 CA LYS A 33 11.587 -30.745 -12.989 1.00 1.00 C ATOM 514 C LYS A 33 11.199 -32.213 -13.172 1.00 1.00 C ATOM 515 O LYS A 33 12.012 -33.107 -12.941 1.00 1.00 O ATOM 516 CB LYS A 33 11.792 -29.994 -14.306 1.00 1.00 C ATOM 517 CG LYS A 33 10.512 -29.271 -14.730 1.00 1.00 C ATOM 518 CD LYS A 33 10.369 -27.935 -13.998 1.00 1.00 C ATOM 519 CE LYS A 33 11.341 -26.896 -14.560 1.00 1.00 C ATOM 520 NZ LYS A 33 10.927 -26.479 -15.919 1.00 1.00 N ATOM 0 H LYS A 33 13.652 -30.872 -12.655 1.00 1.00 H new ATOM 0 HA LYS A 33 10.749 -30.253 -12.495 1.00 1.00 H new ATOM 0 HB2 LYS A 33 12.602 -29.273 -14.195 1.00 1.00 H new ATOM 0 HB3 LYS A 33 12.093 -30.694 -15.085 1.00 1.00 H new ATOM 0 HG2 LYS A 33 10.526 -29.100 -15.806 1.00 1.00 H new ATOM 0 HG3 LYS A 33 9.647 -29.900 -14.518 1.00 1.00 H new ATOM 0 HD2 LYS A 33 9.346 -27.571 -14.094 1.00 1.00 H new ATOM 0 HD3 LYS A 33 10.558 -28.077 -12.934 1.00 1.00 H new ATOM 0 HE2 LYS A 33 11.375 -26.028 -13.902 1.00 1.00 H new ATOM 0 HE3 LYS A 33 12.348 -27.312 -14.592 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 11.405 -25.590 -16.170 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 11.188 -27.218 -16.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 9.897 -26.336 -15.940 1.00 1.00 H new ATOM 533 N LYS A 34 9.957 -32.417 -13.585 1.00 1.00 N ATOM 534 CA LYS A 34 9.451 -33.762 -13.801 1.00 1.00 C ATOM 535 C LYS A 34 9.299 -34.468 -12.453 1.00 1.00 C ATOM 536 O LYS A 34 10.054 -35.388 -12.141 1.00 1.00 O ATOM 537 CB LYS A 34 10.340 -34.515 -14.793 1.00 1.00 C ATOM 538 CG LYS A 34 9.732 -34.498 -16.197 1.00 1.00 C ATOM 539 CD LYS A 34 10.778 -34.105 -17.242 1.00 1.00 C ATOM 540 CE LYS A 34 10.257 -34.355 -18.659 1.00 1.00 C ATOM 541 NZ LYS A 34 10.802 -33.348 -19.597 1.00 1.00 N ATOM 0 H LYS A 34 9.286 -31.673 -13.776 1.00 1.00 H new ATOM 0 HA LYS A 34 8.461 -33.728 -14.256 1.00 1.00 H new ATOM 0 HB2 LYS A 34 11.331 -34.061 -14.816 1.00 1.00 H new ATOM 0 HB3 LYS A 34 10.469 -35.545 -14.461 1.00 1.00 H new ATOM 0 HG2 LYS A 34 9.328 -35.482 -16.434 1.00 1.00 H new ATOM 0 HG3 LYS A 34 8.899 -33.795 -16.228 1.00 1.00 H new ATOM 0 HD2 LYS A 34 11.036 -33.052 -17.126 1.00 1.00 H new ATOM 0 HD3 LYS A 34 11.692 -34.677 -17.080 1.00 1.00 H new ATOM 0 HE2 LYS A 34 10.540 -35.356 -18.986 1.00 1.00 H new ATOM 0 HE3 LYS A 34 9.168 -34.314 -18.665 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 10.438 -33.532 -20.554 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 10.511 -32.397 -19.293 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 11.840 -33.406 -19.604 1.00 1.00 H new ATOM 554 N GLY A 35 8.318 -34.011 -11.689 1.00 1.00 N ATOM 555 CA GLY A 35 8.056 -34.587 -10.381 1.00 1.00 C ATOM 556 C GLY A 35 7.199 -35.849 -10.499 1.00 1.00 C ATOM 557 O GLY A 35 6.365 -35.955 -11.397 1.00 1.00 O ATOM 0 H GLY A 35 7.694 -33.248 -11.951 1.00 1.00 H new ATOM 0 HA2 GLY A 35 8.999 -34.828 -9.890 1.00 1.00 H new ATOM 0 HA3 GLY A 35 7.548 -33.855 -9.753 1.00 1.00 H new ATOM 561 N CYS A 36 7.434 -36.773 -9.579 1.00 1.00 N ATOM 562 CA CYS A 36 6.694 -38.023 -9.569 1.00 1.00 C ATOM 563 C CYS A 36 5.210 -37.702 -9.375 1.00 1.00 C ATOM 564 O CYS A 36 4.814 -37.187 -8.331 1.00 1.00 O ATOM 565 CB CYS A 36 7.215 -38.981 -8.496 1.00 1.00 C ATOM 566 SG CYS A 36 6.483 -40.642 -8.729 1.00 1.00 S ATOM 0 H CYS A 36 8.126 -36.681 -8.836 1.00 1.00 H new ATOM 0 HA CYS A 36 6.832 -38.537 -10.520 1.00 1.00 H new ATOM 0 HB2 CYS A 36 8.302 -39.043 -8.549 1.00 1.00 H new ATOM 0 HB3 CYS A 36 6.966 -38.601 -7.505 1.00 1.00 H new ATOM 571 N TRP A 37 4.430 -38.019 -10.398 1.00 1.00 N ATOM 572 CA TRP A 37 2.999 -37.771 -10.353 1.00 1.00 C ATOM 573 C TRP A 37 2.320 -39.020 -9.789 1.00 1.00 C ATOM 574 O TRP A 37 1.103 -39.167 -9.888 1.00 1.00 O ATOM 575 CB TRP A 37 2.469 -37.372 -11.732 1.00 1.00 C ATOM 576 CG TRP A 37 2.560 -35.874 -12.024 1.00 1.00 C ATOM 577 CD1 TRP A 37 1.906 -34.873 -11.418 1.00 1.00 C ATOM 578 CD2 TRP A 37 3.384 -35.242 -13.027 1.00 1.00 C ATOM 579 NE1 TRP A 37 2.246 -33.648 -11.955 1.00 1.00 N ATOM 580 CE2 TRP A 37 3.173 -33.880 -12.965 1.00 1.00 C ATOM 581 CE3 TRP A 37 4.277 -35.803 -13.957 1.00 1.00 C ATOM 582 CZ2 TRP A 37 3.819 -32.965 -13.804 1.00 1.00 C ATOM 583 CZ3 TRP A 37 4.915 -34.875 -14.789 1.00 1.00 C ATOM 584 CH2 TRP A 37 4.714 -33.501 -14.738 1.00 1.00 C ATOM 0 H TRP A 37 4.762 -38.445 -11.263 1.00 1.00 H new ATOM 0 HA TRP A 37 2.773 -36.928 -9.700 1.00 1.00 H new ATOM 0 HB2 TRP A 37 3.027 -37.915 -12.495 1.00 1.00 H new ATOM 0 HB3 TRP A 37 1.428 -37.685 -11.814 1.00 1.00 H new ATOM 0 HD1 TRP A 37 1.201 -35.008 -10.611 1.00 1.00 H new ATOM 0 HE1 TRP A 37 1.884 -32.740 -11.664 1.00 1.00 H new ATOM 0 HE3 TRP A 37 4.457 -36.866 -14.024 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 3.637 -31.903 -13.735 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 5.612 -35.254 -15.522 1.00 1.00 H new ATOM 0 HH2 TRP A 37 5.246 -32.849 -15.416 1.00 1.00 H new ATOM 595 N LYS A 38 3.136 -39.888 -9.210 1.00 1.00 N ATOM 596 CA LYS A 38 2.629 -41.120 -8.630 1.00 1.00 C ATOM 597 C LYS A 38 2.587 -40.982 -7.107 1.00 1.00 C ATOM 598 O LYS A 38 1.608 -41.372 -6.471 1.00 1.00 O ATOM 599 CB LYS A 38 3.447 -42.318 -9.117 1.00 1.00 C ATOM 600 CG LYS A 38 2.656 -43.619 -8.967 1.00 1.00 C ATOM 601 CD LYS A 38 2.715 -44.135 -7.528 1.00 1.00 C ATOM 602 CE LYS A 38 1.357 -44.681 -7.085 1.00 1.00 C ATOM 603 NZ LYS A 38 0.447 -43.571 -6.720 1.00 1.00 N ATOM 0 H LYS A 38 4.145 -39.763 -9.130 1.00 1.00 H new ATOM 0 HA LYS A 38 1.607 -41.305 -8.962 1.00 1.00 H new ATOM 0 HB2 LYS A 38 3.723 -42.174 -10.162 1.00 1.00 H new ATOM 0 HB3 LYS A 38 4.375 -42.385 -8.549 1.00 1.00 H new ATOM 0 HG2 LYS A 38 1.618 -43.453 -9.255 1.00 1.00 H new ATOM 0 HG3 LYS A 38 3.058 -44.373 -9.644 1.00 1.00 H new ATOM 0 HD2 LYS A 38 3.469 -44.918 -7.449 1.00 1.00 H new ATOM 0 HD3 LYS A 38 3.022 -43.329 -6.861 1.00 1.00 H new ATOM 0 HE2 LYS A 38 0.916 -45.272 -7.888 1.00 1.00 H new ATOM 0 HE3 LYS A 38 1.487 -45.348 -6.233 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 0.239 -43.613 -5.702 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 0.901 -42.662 -6.943 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -0.439 -43.657 -7.258 1.00 1.00 H new ATOM 616 N CYS A 39 3.661 -40.427 -6.565 1.00 1.00 N ATOM 617 CA CYS A 39 3.759 -40.233 -5.128 1.00 1.00 C ATOM 618 C CYS A 39 3.621 -38.738 -4.835 1.00 1.00 C ATOM 619 O CYS A 39 3.195 -38.352 -3.747 1.00 1.00 O ATOM 620 CB CYS A 39 5.062 -40.807 -4.568 1.00 1.00 C ATOM 621 SG CYS A 39 6.483 -40.217 -5.558 1.00 1.00 S ATOM 0 H CYS A 39 4.471 -40.105 -7.095 1.00 1.00 H new ATOM 0 HA CYS A 39 2.956 -40.775 -4.629 1.00 1.00 H new ATOM 0 HB2 CYS A 39 5.184 -40.506 -3.527 1.00 1.00 H new ATOM 0 HB3 CYS A 39 5.025 -41.896 -4.583 1.00 1.00 H new ATOM 626 N GLY A 40 3.990 -37.937 -5.824 1.00 1.00 N ATOM 627 CA GLY A 40 3.912 -36.493 -5.685 1.00 1.00 C ATOM 628 C GLY A 40 5.286 -35.898 -5.366 1.00 1.00 C ATOM 629 O GLY A 40 5.422 -34.684 -5.222 1.00 1.00 O ATOM 0 H GLY A 40 4.344 -38.261 -6.724 1.00 1.00 H new ATOM 0 HA2 GLY A 40 3.527 -36.056 -6.606 1.00 1.00 H new ATOM 0 HA3 GLY A 40 3.208 -36.238 -4.893 1.00 1.00 H new ATOM 633 N LYS A 41 6.268 -36.781 -5.265 1.00 1.00 N ATOM 634 CA LYS A 41 7.626 -36.359 -4.965 1.00 1.00 C ATOM 635 C LYS A 41 8.177 -35.556 -6.144 1.00 1.00 C ATOM 636 O LYS A 41 8.505 -36.122 -7.186 1.00 1.00 O ATOM 637 CB LYS A 41 8.489 -37.563 -4.583 1.00 1.00 C ATOM 638 CG LYS A 41 9.431 -37.218 -3.427 1.00 1.00 C ATOM 639 CD LYS A 41 8.893 -37.762 -2.102 1.00 1.00 C ATOM 640 CE LYS A 41 8.880 -36.672 -1.027 1.00 1.00 C ATOM 641 NZ LYS A 41 7.545 -36.039 -0.948 1.00 1.00 N ATOM 0 H LYS A 41 6.151 -37.787 -5.386 1.00 1.00 H new ATOM 0 HA LYS A 41 7.638 -35.700 -4.097 1.00 1.00 H new ATOM 0 HB2 LYS A 41 7.849 -38.398 -4.298 1.00 1.00 H new ATOM 0 HB3 LYS A 41 9.070 -37.887 -5.446 1.00 1.00 H new ATOM 0 HG2 LYS A 41 10.419 -37.635 -3.621 1.00 1.00 H new ATOM 0 HG3 LYS A 41 9.549 -36.137 -3.359 1.00 1.00 H new ATOM 0 HD2 LYS A 41 7.884 -38.148 -2.246 1.00 1.00 H new ATOM 0 HD3 LYS A 41 9.510 -38.598 -1.771 1.00 1.00 H new ATOM 0 HE2 LYS A 41 9.143 -37.103 -0.061 1.00 1.00 H new ATOM 0 HE3 LYS A 41 9.634 -35.918 -1.256 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 7.553 -35.302 -0.214 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 7.309 -35.611 -1.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 6.833 -36.758 -0.708 1.00 1.00 H new ATOM 654 N GLU A 42 8.263 -34.249 -5.941 1.00 1.00 N ATOM 655 CA GLU A 42 8.769 -33.362 -6.974 1.00 1.00 C ATOM 656 C GLU A 42 10.287 -33.507 -7.101 1.00 1.00 C ATOM 657 O GLU A 42 11.034 -32.606 -6.724 1.00 1.00 O ATOM 658 CB GLU A 42 8.379 -31.911 -6.691 1.00 1.00 C ATOM 659 CG GLU A 42 9.031 -31.410 -5.401 1.00 1.00 C ATOM 660 CD GLU A 42 7.979 -30.876 -4.426 1.00 1.00 C ATOM 661 OE1 GLU A 42 8.001 -29.686 -4.080 1.00 1.00 O ATOM 662 OE2 GLU A 42 7.116 -31.747 -4.025 1.00 1.00 O ATOM 0 H GLU A 42 7.990 -33.783 -5.075 1.00 1.00 H new ATOM 0 HA GLU A 42 8.315 -33.646 -7.923 1.00 1.00 H new ATOM 0 HB2 GLU A 42 8.683 -31.279 -7.526 1.00 1.00 H new ATOM 0 HB3 GLU A 42 7.295 -31.831 -6.610 1.00 1.00 H new ATOM 0 HG2 GLU A 42 9.588 -32.221 -4.932 1.00 1.00 H new ATOM 0 HG3 GLU A 42 9.749 -30.623 -5.634 1.00 1.00 H new ATOM 670 N GLY A 43 10.698 -34.649 -7.634 1.00 1.00 N ATOM 671 CA GLY A 43 12.113 -34.923 -7.815 1.00 1.00 C ATOM 672 C GLY A 43 12.324 -36.172 -8.674 1.00 1.00 C ATOM 673 O GLY A 43 12.780 -36.077 -9.813 1.00 1.00 O ATOM 0 H GLY A 43 10.076 -35.394 -7.946 1.00 1.00 H new ATOM 0 HA2 GLY A 43 12.595 -34.067 -8.287 1.00 1.00 H new ATOM 0 HA3 GLY A 43 12.588 -35.061 -6.843 1.00 1.00 H new ATOM 677 N HIS A 44 11.982 -37.314 -8.096 1.00 1.00 N ATOM 678 CA HIS A 44 12.128 -38.580 -8.794 1.00 1.00 C ATOM 679 C HIS A 44 10.940 -38.786 -9.736 1.00 1.00 C ATOM 680 O HIS A 44 9.949 -38.061 -9.660 1.00 1.00 O ATOM 681 CB HIS A 44 12.304 -39.730 -7.801 1.00 1.00 C ATOM 682 CG HIS A 44 11.017 -40.193 -7.162 1.00 1.00 C ATOM 683 ND1 HIS A 44 10.793 -40.132 -5.797 1.00 1.00 N ATOM 684 CD2 HIS A 44 9.887 -40.722 -7.714 1.00 1.00 C ATOM 685 CE1 HIS A 44 9.581 -40.607 -5.551 1.00 1.00 C ATOM 686 NE2 HIS A 44 9.021 -40.973 -6.740 1.00 1.00 N ATOM 0 H HIS A 44 11.604 -37.389 -7.152 1.00 1.00 H new ATOM 0 HA HIS A 44 13.031 -38.562 -9.403 1.00 1.00 H new ATOM 0 HB2 HIS A 44 12.766 -40.573 -8.315 1.00 1.00 H new ATOM 0 HB3 HIS A 44 12.994 -39.417 -7.018 1.00 1.00 H new ATOM 0 HD1 HIS A 44 11.449 -39.781 -5.100 1.00 1.00 H new ATOM 0 HD2 HIS A 44 9.725 -40.906 -8.766 1.00 1.00 H new ATOM 0 HE1 HIS A 44 9.117 -40.690 -4.579 1.00 1.00 H new ATOM 694 N GLN A 45 11.079 -39.778 -10.603 1.00 1.00 N ATOM 695 CA GLN A 45 10.030 -40.089 -11.559 1.00 1.00 C ATOM 696 C GLN A 45 9.483 -41.496 -11.308 1.00 1.00 C ATOM 697 O GLN A 45 10.032 -42.244 -10.500 1.00 1.00 O ATOM 698 CB GLN A 45 10.536 -39.946 -12.995 1.00 1.00 C ATOM 699 CG GLN A 45 11.386 -38.684 -13.153 1.00 1.00 C ATOM 700 CD GLN A 45 12.187 -38.722 -14.456 1.00 1.00 C ATOM 701 OE1 GLN A 45 12.108 -39.656 -15.237 1.00 1.00 O ATOM 702 NE2 GLN A 45 12.962 -37.657 -14.646 1.00 1.00 N ATOM 0 H GLN A 45 11.902 -40.377 -10.663 1.00 1.00 H new ATOM 0 HA GLN A 45 9.218 -39.375 -11.422 1.00 1.00 H new ATOM 0 HB2 GLN A 45 11.125 -40.822 -13.266 1.00 1.00 H new ATOM 0 HB3 GLN A 45 9.690 -39.907 -13.681 1.00 1.00 H new ATOM 0 HG2 GLN A 45 10.743 -37.804 -13.143 1.00 1.00 H new ATOM 0 HG3 GLN A 45 12.066 -38.591 -12.306 1.00 1.00 H new ATOM 0 HE21 GLN A 45 12.981 -36.910 -13.952 1.00 1.00 H new ATOM 0 HE22 GLN A 45 13.537 -37.588 -15.486 1.00 1.00 H new ATOM 711 N MET A 46 8.409 -41.814 -12.016 1.00 1.00 N ATOM 712 CA MET A 46 7.782 -43.118 -11.880 1.00 1.00 C ATOM 713 C MET A 46 8.785 -44.240 -12.156 1.00 1.00 C ATOM 714 O MET A 46 8.864 -45.208 -11.401 1.00 1.00 O ATOM 715 CB MET A 46 6.612 -43.227 -12.859 1.00 1.00 C ATOM 716 CG MET A 46 7.106 -43.209 -14.307 1.00 1.00 C ATOM 717 SD MET A 46 5.726 -42.997 -15.420 1.00 1.00 S ATOM 718 CE MET A 46 6.522 -42.082 -16.730 1.00 1.00 C ATOM 0 H MET A 46 7.957 -41.191 -12.686 1.00 1.00 H new ATOM 0 HA MET A 46 7.421 -43.222 -10.857 1.00 1.00 H new ATOM 0 HB2 MET A 46 6.060 -44.148 -12.671 1.00 1.00 H new ATOM 0 HB3 MET A 46 5.919 -42.401 -12.697 1.00 1.00 H new ATOM 0 HG2 MET A 46 7.823 -42.400 -14.445 1.00 1.00 H new ATOM 0 HG3 MET A 46 7.627 -44.139 -14.534 1.00 1.00 H new ATOM 0 HE1 MET A 46 5.797 -41.864 -17.514 1.00 1.00 H new ATOM 0 HE2 MET A 46 6.918 -41.147 -16.333 1.00 1.00 H new ATOM 0 HE3 MET A 46 7.338 -42.675 -17.144 1.00 1.00 H new ATOM 728 N LYS A 47 9.527 -44.073 -13.241 1.00 1.00 N ATOM 729 CA LYS A 47 10.522 -45.059 -13.627 1.00 1.00 C ATOM 730 C LYS A 47 11.637 -45.089 -12.580 1.00 1.00 C ATOM 731 O LYS A 47 12.391 -46.058 -12.498 1.00 1.00 O ATOM 732 CB LYS A 47 11.020 -44.791 -15.048 1.00 1.00 C ATOM 733 CG LYS A 47 11.731 -46.018 -15.621 1.00 1.00 C ATOM 734 CD LYS A 47 13.245 -45.804 -15.666 1.00 1.00 C ATOM 735 CE LYS A 47 13.974 -46.861 -14.834 1.00 1.00 C ATOM 736 NZ LYS A 47 14.490 -47.941 -15.705 1.00 1.00 N ATOM 0 H LYS A 47 9.459 -43.269 -13.865 1.00 1.00 H new ATOM 0 HA LYS A 47 10.081 -46.055 -13.652 1.00 1.00 H new ATOM 0 HB2 LYS A 47 10.179 -44.522 -15.687 1.00 1.00 H new ATOM 0 HB3 LYS A 47 11.702 -43.940 -15.044 1.00 1.00 H new ATOM 0 HG2 LYS A 47 11.502 -46.893 -15.012 1.00 1.00 H new ATOM 0 HG3 LYS A 47 11.359 -46.222 -16.625 1.00 1.00 H new ATOM 0 HD2 LYS A 47 13.591 -45.847 -16.699 1.00 1.00 H new ATOM 0 HD3 LYS A 47 13.487 -44.810 -15.290 1.00 1.00 H new ATOM 0 HE2 LYS A 47 14.798 -46.399 -14.290 1.00 1.00 H new ATOM 0 HE3 LYS A 47 13.295 -47.279 -14.090 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 14.982 -48.650 -15.124 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 13.698 -48.392 -16.205 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 15.154 -47.541 -16.398 1.00 1.00 H new ATOM 749 N ASP A 48 11.707 -44.016 -11.806 1.00 1.00 N ATOM 750 CA ASP A 48 12.718 -43.907 -10.767 1.00 1.00 C ATOM 751 C ASP A 48 12.033 -43.821 -9.402 1.00 1.00 C ATOM 752 O ASP A 48 12.612 -43.312 -8.444 1.00 1.00 O ATOM 753 CB ASP A 48 13.563 -42.645 -10.952 1.00 1.00 C ATOM 754 CG ASP A 48 15.036 -42.791 -10.563 1.00 1.00 C ATOM 755 OD1 ASP A 48 15.904 -43.015 -11.420 1.00 1.00 O ATOM 756 OD2 ASP A 48 15.282 -42.663 -9.303 1.00 1.00 O ATOM 0 H ASP A 48 11.080 -43.214 -11.877 1.00 1.00 H new ATOM 0 HA ASP A 48 13.361 -44.785 -10.829 1.00 1.00 H new ATOM 0 HB2 ASP A 48 13.507 -42.338 -11.996 1.00 1.00 H new ATOM 0 HB3 ASP A 48 13.124 -41.842 -10.360 1.00 1.00 H new ATOM 762 N CYS A 49 10.809 -44.327 -9.357 1.00 1.00 N ATOM 763 CA CYS A 49 10.039 -44.315 -8.125 1.00 1.00 C ATOM 764 C CYS A 49 10.485 -45.500 -7.267 1.00 1.00 C ATOM 765 O CYS A 49 10.193 -46.650 -7.590 1.00 1.00 O ATOM 766 CB CYS A 49 8.534 -44.343 -8.398 1.00 1.00 C ATOM 767 SG CYS A 49 7.609 -44.226 -6.823 1.00 1.00 S ATOM 0 H CYS A 49 10.332 -44.748 -10.154 1.00 1.00 H new ATOM 0 HA CYS A 49 10.227 -43.387 -7.586 1.00 1.00 H new ATOM 0 HB2 CYS A 49 8.260 -43.516 -9.053 1.00 1.00 H new ATOM 0 HB3 CYS A 49 8.268 -45.263 -8.918 1.00 1.00 H new ATOM 772 N THR A 50 11.187 -45.179 -6.190 1.00 1.00 N ATOM 773 CA THR A 50 11.677 -46.203 -5.283 1.00 1.00 C ATOM 774 C THR A 50 10.596 -46.576 -4.266 1.00 1.00 C ATOM 775 O THR A 50 10.846 -47.355 -3.347 1.00 1.00 O ATOM 776 CB THR A 50 12.965 -45.688 -4.639 1.00 1.00 C ATOM 777 OG1 THR A 50 13.466 -46.811 -3.918 1.00 1.00 O ATOM 778 CG2 THR A 50 12.701 -44.639 -3.558 1.00 1.00 C ATOM 0 H THR A 50 11.428 -44.224 -5.925 1.00 1.00 H new ATOM 0 HA THR A 50 11.910 -47.125 -5.816 1.00 1.00 H new ATOM 0 HB THR A 50 13.609 -45.262 -5.408 1.00 1.00 H new ATOM 0 HG1 THR A 50 12.721 -47.288 -3.497 1.00 1.00 H new ATOM 0 HG21 THR A 50 13.649 -44.307 -3.134 1.00 1.00 H new ATOM 0 HG22 THR A 50 12.182 -43.787 -3.997 1.00 1.00 H new ATOM 0 HG23 THR A 50 12.084 -45.074 -2.772 1.00 1.00 H new ATOM 786 N GLU A 51 9.419 -46.002 -4.464 1.00 1.00 N ATOM 787 CA GLU A 51 8.299 -46.264 -3.576 1.00 1.00 C ATOM 788 C GLU A 51 7.119 -46.836 -4.363 1.00 1.00 C ATOM 789 O GLU A 51 7.064 -46.710 -5.586 1.00 1.00 O ATOM 790 CB GLU A 51 7.891 -44.998 -2.820 1.00 1.00 C ATOM 791 CG GLU A 51 7.238 -43.984 -3.761 1.00 1.00 C ATOM 792 CD GLU A 51 6.448 -42.936 -2.974 1.00 1.00 C ATOM 793 OE1 GLU A 51 6.856 -41.766 -2.917 1.00 1.00 O ATOM 794 OE2 GLU A 51 5.373 -43.373 -2.411 1.00 1.00 O ATOM 0 H GLU A 51 9.216 -45.356 -5.227 1.00 1.00 H new ATOM 0 HA GLU A 51 8.611 -47.004 -2.839 1.00 1.00 H new ATOM 0 HB2 GLU A 51 7.197 -45.256 -2.020 1.00 1.00 H new ATOM 0 HB3 GLU A 51 8.768 -44.552 -2.351 1.00 1.00 H new ATOM 0 HG2 GLU A 51 8.004 -43.493 -4.360 1.00 1.00 H new ATOM 0 HG3 GLU A 51 6.574 -44.501 -4.454 1.00 1.00 H new ATOM 802 N ARG A 52 6.204 -47.454 -3.631 1.00 1.00 N ATOM 803 CA ARG A 52 5.028 -48.046 -4.246 1.00 1.00 C ATOM 804 C ARG A 52 5.440 -49.124 -5.250 1.00 1.00 C ATOM 805 O ARG A 52 6.126 -48.836 -6.229 1.00 1.00 O ATOM 806 CB ARG A 52 4.188 -46.986 -4.962 1.00 1.00 C ATOM 807 CG ARG A 52 2.770 -47.497 -5.225 1.00 1.00 C ATOM 808 CD ARG A 52 2.571 -47.822 -6.707 1.00 1.00 C ATOM 809 NE ARG A 52 1.839 -49.101 -6.850 1.00 1.00 N ATOM 810 CZ ARG A 52 0.493 -49.202 -6.880 1.00 1.00 C ATOM 811 NH1 ARG A 52 -0.280 -48.101 -6.778 1.00 1.00 N ATOM 812 NH2 ARG A 52 -0.056 -50.396 -7.012 1.00 1.00 N ATOM 0 H ARG A 52 6.253 -47.558 -2.617 1.00 1.00 H new ATOM 0 HA ARG A 52 4.429 -48.493 -3.453 1.00 1.00 H new ATOM 0 HB2 ARG A 52 4.146 -46.080 -4.357 1.00 1.00 H new ATOM 0 HB3 ARG A 52 4.663 -46.717 -5.906 1.00 1.00 H new ATOM 0 HG2 ARG A 52 2.583 -48.388 -4.625 1.00 1.00 H new ATOM 0 HG3 ARG A 52 2.045 -46.745 -4.913 1.00 1.00 H new ATOM 0 HD2 ARG A 52 2.016 -47.019 -7.193 1.00 1.00 H new ATOM 0 HD3 ARG A 52 3.538 -47.889 -7.206 1.00 1.00 H new ATOM 0 HE ARG A 52 2.385 -49.959 -6.931 1.00 1.00 H new ATOM 0 HH11 ARG A 52 0.152 -47.182 -6.677 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -1.296 -48.187 -6.802 1.00 1.00 H new ATOM 0 HH21 ARG A 52 0.535 -51.223 -7.089 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -1.071 -50.491 -7.037 1.00 1.00 H new ATOM 825 N GLN A 53 5.004 -50.344 -4.972 1.00 1.00 N ATOM 826 CA GLN A 53 5.320 -51.467 -5.838 1.00 1.00 C ATOM 827 C GLN A 53 4.080 -52.338 -6.051 1.00 1.00 C ATOM 828 O GLN A 53 3.224 -52.432 -5.172 1.00 1.00 O ATOM 829 CB GLN A 53 6.477 -52.291 -5.270 1.00 1.00 C ATOM 830 CG GLN A 53 7.434 -52.731 -6.379 1.00 1.00 C ATOM 831 CD GLN A 53 7.778 -54.216 -6.250 1.00 1.00 C ATOM 832 OE1 GLN A 53 8.351 -54.664 -5.271 1.00 1.00 O ATOM 833 NE2 GLN A 53 7.396 -54.952 -7.290 1.00 1.00 N ATOM 0 H GLN A 53 4.434 -50.579 -4.159 1.00 1.00 H new ATOM 0 HA GLN A 53 5.637 -51.076 -6.805 1.00 1.00 H new ATOM 0 HB2 GLN A 53 7.019 -51.702 -4.530 1.00 1.00 H new ATOM 0 HB3 GLN A 53 6.085 -53.168 -4.754 1.00 1.00 H new ATOM 0 HG2 GLN A 53 6.980 -52.543 -7.352 1.00 1.00 H new ATOM 0 HG3 GLN A 53 8.347 -52.137 -6.333 1.00 1.00 H new ATOM 0 HE21 GLN A 53 6.920 -54.513 -8.078 1.00 1.00 H new ATOM 0 HE22 GLN A 53 7.579 -55.955 -7.299 1.00 1.00 H new ATOM 842 N ALA A 54 4.022 -52.952 -7.223 1.00 1.00 N ATOM 843 CA ALA A 54 2.901 -53.812 -7.563 1.00 1.00 C ATOM 844 C ALA A 54 3.388 -54.943 -8.471 1.00 1.00 C ATOM 845 O ALA A 54 3.286 -56.117 -8.116 1.00 1.00 O ATOM 846 CB ALA A 54 1.795 -52.978 -8.212 1.00 1.00 C ATOM 0 H ALA A 54 4.733 -52.871 -7.950 1.00 1.00 H new ATOM 0 HA ALA A 54 2.481 -54.267 -6.666 1.00 1.00 H new ATOM 0 HB1 ALA A 54 0.955 -53.624 -8.467 1.00 1.00 H new ATOM 0 HB2 ALA A 54 1.463 -52.208 -7.515 1.00 1.00 H new ATOM 0 HB3 ALA A 54 2.178 -52.507 -9.117 1.00 1.00 H new ATOM 852 N ASN A 55 3.905 -54.550 -9.625 1.00 1.00 N ATOM 853 CA ASN A 55 4.408 -55.516 -10.587 1.00 1.00 C ATOM 854 C ASN A 55 3.314 -56.541 -10.895 1.00 1.00 C ATOM 855 O ASN A 55 2.725 -56.520 -11.974 1.00 1.00 O ATOM 856 CB ASN A 55 5.618 -56.270 -10.030 1.00 1.00 C ATOM 857 CG ASN A 55 6.261 -57.147 -11.107 1.00 1.00 C ATOM 858 OD1 ASN A 55 5.857 -58.272 -11.349 1.00 1.00 O ATOM 859 ND2 ASN A 55 7.281 -56.571 -11.736 1.00 1.00 N ATOM 0 H ASN A 55 3.987 -53.576 -9.916 1.00 1.00 H new ATOM 0 HA ASN A 55 4.703 -54.974 -11.486 1.00 1.00 H new ATOM 0 HB2 ASN A 55 6.351 -55.558 -9.650 1.00 1.00 H new ATOM 0 HB3 ASN A 55 5.309 -56.890 -9.188 1.00 1.00 H new ATOM 0 HD21 ASN A 55 7.777 -57.075 -12.471 1.00 1.00 H new ATOM 0 HD22 ASN A 55 7.567 -55.625 -11.483 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 12.626 -19.711 -8.096 1.00 1.00 ZN HETATM 868 ZN ZN A 57 7.234 -41.957 -6.932 1.00 1.00 ZN