USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 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 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 21 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.8) USER MOD Set 1.2: A 27 ASN : amide:sc=-0.00701 K(o=-0.25,f=-1.6) USER MOD Single : A 1 SER N :NH3+ 151:sc= 0.00566 (180deg=0) USER MOD Single : A 1 SER OG : rot 170:sc= 0.00515 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl -156:sc= 0 (180deg=-0.464) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.79! C(o=-1.8!,f=-6.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -167:sc= -0.275 (180deg=-0.757) USER MOD Single : A 44 LYS NZ :NH3+ -122:sc= 0.79 (180deg=-0.0444) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0.3 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.793 1.500 -1.942 1.00 0.00 N ATOM 2 CA SER A 1 6.606 1.027 -3.323 1.00 0.00 C ATOM 3 C SER A 1 6.130 -0.445 -3.323 1.00 0.00 C ATOM 4 O SER A 1 6.949 -1.370 -3.235 1.00 0.00 O ATOM 5 CB SER A 1 7.921 1.180 -4.118 1.00 0.00 C ATOM 6 OG SER A 1 8.396 2.514 -4.089 1.00 0.00 O ATOM 0 H1 SER A 1 7.530 2.233 -1.923 1.00 0.00 H new ATOM 0 H2 SER A 1 5.900 1.898 -1.587 1.00 0.00 H new ATOM 0 H3 SER A 1 7.081 0.704 -1.338 1.00 0.00 H new ATOM 0 HA SER A 1 5.840 1.633 -3.807 1.00 0.00 H new ATOM 0 HB2 SER A 1 8.678 0.515 -3.702 1.00 0.00 H new ATOM 0 HB3 SER A 1 7.760 0.873 -5.151 1.00 0.00 H new ATOM 0 HG SER A 1 9.303 2.547 -4.459 1.00 0.00 H new ATOM 14 N HIS A 2 4.793 -0.646 -3.354 1.00 0.00 N ATOM 15 CA HIS A 2 4.180 -1.982 -3.483 1.00 0.00 C ATOM 16 C HIS A 2 4.159 -2.404 -4.960 1.00 0.00 C ATOM 17 O HIS A 2 4.398 -1.573 -5.841 1.00 0.00 O ATOM 18 CB HIS A 2 2.733 -1.995 -2.919 1.00 0.00 C ATOM 19 CG HIS A 2 2.596 -1.557 -1.491 1.00 0.00 C ATOM 20 ND1 HIS A 2 3.104 -2.258 -0.426 1.00 0.00 N ATOM 21 CD2 HIS A 2 1.981 -0.467 -0.962 1.00 0.00 C ATOM 22 CE1 HIS A 2 2.785 -1.600 0.691 1.00 0.00 C ATOM 23 NE2 HIS A 2 2.106 -0.504 0.420 1.00 0.00 N ATOM 0 H HIS A 2 4.113 0.112 -3.290 1.00 0.00 H new ATOM 0 HA HIS A 2 4.779 -2.686 -2.905 1.00 0.00 H new ATOM 0 HB2 HIS A 2 2.113 -1.349 -3.541 1.00 0.00 H new ATOM 0 HB3 HIS A 2 2.334 -3.005 -3.012 1.00 0.00 H new ATOM 0 HD2 HIS A 2 1.476 0.304 -1.526 1.00 0.00 H new ATOM 0 HE1 HIS A 2 3.049 -1.924 1.687 1.00 0.00 H new ATOM 0 HE2 HIS A 2 1.746 0.177 1.088 1.00 0.00 H new ATOM 31 N MET A 3 3.876 -3.713 -5.201 1.00 0.00 N ATOM 32 CA MET A 3 3.770 -4.361 -6.550 1.00 0.00 C ATOM 33 C MET A 3 4.942 -4.053 -7.526 1.00 0.00 C ATOM 34 O MET A 3 4.840 -4.384 -8.719 1.00 0.00 O ATOM 35 CB MET A 3 2.355 -4.120 -7.217 1.00 0.00 C ATOM 36 CG MET A 3 1.901 -2.659 -7.411 1.00 0.00 C ATOM 37 SD MET A 3 2.966 -1.703 -8.517 1.00 0.00 S ATOM 38 CE MET A 3 2.412 -0.021 -8.220 1.00 0.00 C ATOM 0 H MET A 3 3.709 -4.373 -4.441 1.00 0.00 H new ATOM 0 HA MET A 3 3.866 -5.427 -6.346 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.356 -4.605 -8.193 1.00 0.00 H new ATOM 0 HB3 MET A 3 1.606 -4.628 -6.610 1.00 0.00 H new ATOM 0 HG2 MET A 3 0.885 -2.654 -7.806 1.00 0.00 H new ATOM 0 HG3 MET A 3 1.868 -2.167 -6.439 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.646 0.597 -9.087 1.00 0.00 H new ATOM 0 HE2 MET A 3 1.335 -0.017 -8.051 1.00 0.00 H new ATOM 0 HE3 MET A 3 2.918 0.379 -7.342 1.00 0.00 H new ATOM 48 N CYS A 4 6.050 -3.501 -6.976 1.00 0.00 N ATOM 49 CA CYS A 4 7.241 -3.057 -7.714 1.00 0.00 C ATOM 50 C CYS A 4 8.067 -2.144 -6.787 1.00 0.00 C ATOM 51 O CYS A 4 7.578 -1.073 -6.414 1.00 0.00 O ATOM 52 CB CYS A 4 6.891 -2.256 -9.000 1.00 0.00 C ATOM 53 SG CYS A 4 5.877 -0.779 -8.704 1.00 0.00 S ATOM 0 H CYS A 4 6.135 -3.351 -5.971 1.00 0.00 H new ATOM 0 HA CYS A 4 7.792 -3.946 -8.019 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.817 -1.955 -9.490 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.363 -2.913 -9.691 1.00 0.00 H new ATOM 58 N PRO A 5 9.303 -2.551 -6.357 1.00 0.00 N ATOM 59 CA PRO A 5 10.206 -1.674 -5.568 1.00 0.00 C ATOM 60 C PRO A 5 10.851 -0.571 -6.446 1.00 0.00 C ATOM 61 O PRO A 5 12.063 -0.559 -6.682 1.00 0.00 O ATOM 62 CB PRO A 5 11.244 -2.674 -5.004 1.00 0.00 C ATOM 63 CG PRO A 5 11.309 -3.759 -6.028 1.00 0.00 C ATOM 64 CD PRO A 5 9.895 -3.895 -6.553 1.00 0.00 C ATOM 0 HA PRO A 5 9.695 -1.114 -4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.216 -2.201 -4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 5 10.935 -3.062 -4.033 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.003 -3.504 -6.829 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.658 -4.694 -5.589 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.887 -4.184 -7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.340 -4.658 -6.008 1.00 0.00 H new ATOM 72 N ALA A 6 10.004 0.344 -6.924 1.00 0.00 N ATOM 73 CA ALA A 6 10.400 1.464 -7.776 1.00 0.00 C ATOM 74 C ALA A 6 9.750 2.734 -7.212 1.00 0.00 C ATOM 75 O ALA A 6 8.527 2.887 -7.302 1.00 0.00 O ATOM 76 CB ALA A 6 9.963 1.201 -9.228 1.00 0.00 C ATOM 0 H ALA A 6 9.004 0.325 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 6 11.483 1.585 -7.784 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.262 2.040 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.437 0.289 -9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.880 1.087 -9.267 1.00 0.00 H new ATOM 82 N VAL A 7 10.560 3.605 -6.579 1.00 0.00 N ATOM 83 CA VAL A 7 10.069 4.867 -5.975 1.00 0.00 C ATOM 84 C VAL A 7 9.520 5.788 -7.076 1.00 0.00 C ATOM 85 O VAL A 7 8.444 6.379 -6.924 1.00 0.00 O ATOM 86 CB VAL A 7 11.188 5.603 -5.148 1.00 0.00 C ATOM 87 CG1 VAL A 7 10.670 6.913 -4.483 1.00 0.00 C ATOM 88 CG2 VAL A 7 11.807 4.652 -4.097 1.00 0.00 C ATOM 0 H VAL A 7 11.564 3.459 -6.471 1.00 0.00 H new ATOM 0 HA VAL A 7 9.270 4.615 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 7 11.967 5.896 -5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.480 7.382 -3.925 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.317 7.597 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 7 9.850 6.677 -3.804 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.578 5.181 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.030 4.311 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.250 3.792 -4.600 1.00 0.00 H new ATOM 98 N SER A 8 10.274 5.898 -8.187 1.00 0.00 N ATOM 99 CA SER A 8 9.778 6.500 -9.425 1.00 0.00 C ATOM 100 C SER A 8 8.777 5.519 -10.076 1.00 0.00 C ATOM 101 O SER A 8 9.173 4.578 -10.783 1.00 0.00 O ATOM 102 CB SER A 8 10.966 6.808 -10.367 1.00 0.00 C ATOM 103 OG SER A 8 11.944 7.620 -9.722 1.00 0.00 O ATOM 0 H SER A 8 11.239 5.572 -8.245 1.00 0.00 H new ATOM 0 HA SER A 8 9.268 7.441 -9.220 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.424 5.875 -10.694 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.602 7.315 -11.261 1.00 0.00 H new ATOM 0 HG SER A 8 12.683 7.796 -10.341 1.00 0.00 H new ATOM 109 N CYS A 9 7.481 5.703 -9.770 1.00 0.00 N ATOM 110 CA CYS A 9 6.416 4.811 -10.241 1.00 0.00 C ATOM 111 C CYS A 9 5.174 5.604 -10.651 1.00 0.00 C ATOM 112 O CYS A 9 4.535 6.262 -9.822 1.00 0.00 O ATOM 113 CB CYS A 9 6.025 3.785 -9.162 1.00 0.00 C ATOM 114 SG CYS A 9 4.698 2.658 -9.697 1.00 0.00 S ATOM 0 H CYS A 9 7.147 6.473 -9.191 1.00 0.00 H new ATOM 0 HA CYS A 9 6.808 4.281 -11.109 1.00 0.00 H new ATOM 0 HB2 CYS A 9 6.903 3.200 -8.890 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.705 4.314 -8.265 1.00 0.00 H new ATOM 119 N LEU A 10 4.871 5.584 -11.945 1.00 0.00 N ATOM 120 CA LEU A 10 3.550 5.943 -12.466 1.00 0.00 C ATOM 121 C LEU A 10 2.520 4.884 -11.988 1.00 0.00 C ATOM 122 O LEU A 10 2.855 3.692 -11.839 1.00 0.00 O ATOM 123 CB LEU A 10 3.602 6.139 -14.027 1.00 0.00 C ATOM 124 CG LEU A 10 3.740 4.905 -14.973 1.00 0.00 C ATOM 125 CD1 LEU A 10 4.870 3.957 -14.546 1.00 0.00 C ATOM 126 CD2 LEU A 10 2.396 4.187 -15.144 1.00 0.00 C ATOM 0 H LEU A 10 5.538 5.317 -12.669 1.00 0.00 H new ATOM 0 HA LEU A 10 3.224 6.906 -12.072 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.693 6.667 -14.316 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.439 6.804 -14.241 1.00 0.00 H new ATOM 0 HG LEU A 10 4.031 5.280 -15.954 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.921 3.117 -15.238 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.819 4.494 -14.556 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.673 3.587 -13.540 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.522 3.332 -15.808 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.041 3.843 -14.173 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.668 4.875 -15.573 1.00 0.00 H new ATOM 138 N GLN A 11 1.292 5.320 -11.738 1.00 0.00 N ATOM 139 CA GLN A 11 0.181 4.452 -11.338 1.00 0.00 C ATOM 140 C GLN A 11 -0.766 4.287 -12.554 1.00 0.00 C ATOM 141 O GLN A 11 -1.480 5.238 -12.908 1.00 0.00 O ATOM 142 CB GLN A 11 -0.554 5.067 -10.118 1.00 0.00 C ATOM 143 CG GLN A 11 -1.747 4.241 -9.600 1.00 0.00 C ATOM 144 CD GLN A 11 -2.434 4.890 -8.398 1.00 0.00 C ATOM 145 OE1 GLN A 11 -3.367 5.685 -8.545 1.00 0.00 O ATOM 146 NE2 GLN A 11 -1.973 4.565 -7.202 1.00 0.00 N ATOM 0 H GLN A 11 1.031 6.304 -11.807 1.00 0.00 H new ATOM 0 HA GLN A 11 0.545 3.470 -11.036 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.162 5.194 -9.306 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.909 6.062 -10.389 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.472 4.114 -10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.401 3.245 -9.322 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.200 3.905 -7.115 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.390 4.975 -6.366 1.00 0.00 H new ATOM 155 N PRO A 12 -0.718 3.104 -13.262 1.00 0.00 N ATOM 156 CA PRO A 12 -1.594 2.812 -14.422 1.00 0.00 C ATOM 157 C PRO A 12 -3.097 2.812 -14.047 1.00 0.00 C ATOM 158 O PRO A 12 -3.617 1.851 -13.477 1.00 0.00 O ATOM 159 CB PRO A 12 -1.110 1.418 -14.913 1.00 0.00 C ATOM 160 CG PRO A 12 -0.405 0.816 -13.731 1.00 0.00 C ATOM 161 CD PRO A 12 0.230 1.982 -13.009 1.00 0.00 C ATOM 0 HA PRO A 12 -1.520 3.576 -15.196 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.948 0.798 -15.231 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.440 1.511 -15.768 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.104 0.286 -13.084 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.347 0.093 -14.048 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.341 1.782 -11.943 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.225 2.201 -13.397 1.00 0.00 H new ATOM 169 N GLU A 13 -3.756 3.933 -14.348 1.00 0.00 N ATOM 170 CA GLU A 13 -5.207 4.122 -14.113 1.00 0.00 C ATOM 171 C GLU A 13 -6.033 3.433 -15.218 1.00 0.00 C ATOM 172 O GLU A 13 -7.201 3.088 -15.023 1.00 0.00 O ATOM 173 CB GLU A 13 -5.538 5.638 -14.050 1.00 0.00 C ATOM 174 CG GLU A 13 -4.765 6.392 -12.947 1.00 0.00 C ATOM 175 CD GLU A 13 -5.012 7.909 -12.956 1.00 0.00 C ATOM 176 OE1 GLU A 13 -4.458 8.609 -13.833 1.00 0.00 O ATOM 177 OE2 GLU A 13 -5.746 8.412 -12.079 1.00 0.00 O ATOM 0 H GLU A 13 -3.303 4.746 -14.765 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.470 3.663 -13.160 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.313 6.091 -15.015 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.608 5.761 -13.882 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.051 5.991 -11.975 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.698 6.204 -13.068 1.00 0.00 H new ATOM 184 N GLY A 14 -5.393 3.268 -16.384 1.00 0.00 N ATOM 185 CA GLY A 14 -5.969 2.555 -17.522 1.00 0.00 C ATOM 186 C GLY A 14 -5.719 1.057 -17.451 1.00 0.00 C ATOM 187 O GLY A 14 -6.375 0.285 -18.162 1.00 0.00 O ATOM 0 H GLY A 14 -4.456 3.629 -16.560 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.042 2.741 -17.559 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.546 2.948 -18.446 1.00 0.00 H new ATOM 191 N ASP A 15 -4.695 0.661 -16.641 1.00 0.00 N ATOM 192 CA ASP A 15 -4.357 -0.752 -16.311 1.00 0.00 C ATOM 193 C ASP A 15 -3.705 -1.533 -17.486 1.00 0.00 C ATOM 194 O ASP A 15 -3.076 -2.566 -17.242 1.00 0.00 O ATOM 195 CB ASP A 15 -5.601 -1.528 -15.775 1.00 0.00 C ATOM 196 CG ASP A 15 -6.132 -0.993 -14.432 1.00 0.00 C ATOM 197 OD1 ASP A 15 -6.940 -0.037 -14.429 1.00 0.00 O ATOM 198 OD2 ASP A 15 -5.737 -1.530 -13.374 1.00 0.00 O ATOM 0 H ASP A 15 -4.070 1.330 -16.191 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.606 -0.688 -15.523 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.398 -1.477 -16.517 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -5.340 -2.580 -15.659 1.00 0.00 H new ATOM 203 N GLU A 16 -3.839 -1.039 -18.734 1.00 0.00 N ATOM 204 CA GLU A 16 -3.419 -1.765 -19.957 1.00 0.00 C ATOM 205 C GLU A 16 -1.907 -1.569 -20.205 1.00 0.00 C ATOM 206 O GLU A 16 -1.481 -0.878 -21.138 1.00 0.00 O ATOM 207 CB GLU A 16 -4.283 -1.286 -21.171 1.00 0.00 C ATOM 208 CG GLU A 16 -4.066 -2.071 -22.484 1.00 0.00 C ATOM 209 CD GLU A 16 -4.942 -1.570 -23.644 1.00 0.00 C ATOM 210 OE1 GLU A 16 -4.619 -0.519 -24.234 1.00 0.00 O ATOM 211 OE2 GLU A 16 -5.952 -2.233 -23.981 1.00 0.00 O ATOM 0 H GLU A 16 -4.243 -0.122 -18.926 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.585 -2.834 -19.828 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.336 -1.353 -20.896 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.068 -0.233 -21.356 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.017 -2.000 -22.773 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.277 -3.126 -22.308 1.00 0.00 H new ATOM 218 N VAL A 17 -1.108 -2.142 -19.302 1.00 0.00 N ATOM 219 CA VAL A 17 0.362 -2.112 -19.346 1.00 0.00 C ATOM 220 C VAL A 17 0.887 -3.543 -19.161 1.00 0.00 C ATOM 221 O VAL A 17 0.353 -4.313 -18.352 1.00 0.00 O ATOM 222 CB VAL A 17 0.965 -1.137 -18.250 1.00 0.00 C ATOM 223 CG1 VAL A 17 0.583 0.341 -18.542 1.00 0.00 C ATOM 224 CG2 VAL A 17 0.535 -1.543 -16.807 1.00 0.00 C ATOM 0 H VAL A 17 -1.471 -2.654 -18.498 1.00 0.00 H new ATOM 0 HA VAL A 17 0.681 -1.724 -20.313 1.00 0.00 H new ATOM 0 HB VAL A 17 2.050 -1.228 -18.306 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.010 0.986 -17.774 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.972 0.632 -19.518 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.502 0.444 -18.539 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.970 -0.848 -16.089 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.552 -1.512 -16.729 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.885 -2.553 -16.594 1.00 0.00 H new ATOM 234 N ASP A 18 1.911 -3.894 -19.944 1.00 0.00 N ATOM 235 CA ASP A 18 2.533 -5.225 -19.913 1.00 0.00 C ATOM 236 C ASP A 18 3.516 -5.295 -18.728 1.00 0.00 C ATOM 237 O ASP A 18 4.395 -4.457 -18.623 1.00 0.00 O ATOM 238 CB ASP A 18 3.253 -5.483 -21.262 1.00 0.00 C ATOM 239 CG ASP A 18 3.807 -6.911 -21.394 1.00 0.00 C ATOM 240 OD1 ASP A 18 2.994 -7.861 -21.403 1.00 0.00 O ATOM 241 OD2 ASP A 18 5.036 -7.089 -21.509 1.00 0.00 O ATOM 0 H ASP A 18 2.336 -3.261 -20.622 1.00 0.00 H new ATOM 0 HA ASP A 18 1.777 -5.998 -19.777 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.557 -5.294 -22.079 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.072 -4.772 -21.370 1.00 0.00 H new ATOM 246 N TRP A 19 3.328 -6.262 -17.813 1.00 0.00 N ATOM 247 CA TRP A 19 4.220 -6.461 -16.642 1.00 0.00 C ATOM 248 C TRP A 19 5.322 -7.483 -16.956 1.00 0.00 C ATOM 249 O TRP A 19 5.333 -8.087 -18.027 1.00 0.00 O ATOM 250 CB TRP A 19 3.402 -6.912 -15.394 1.00 0.00 C ATOM 251 CG TRP A 19 2.539 -5.842 -14.765 1.00 0.00 C ATOM 252 CD1 TRP A 19 1.848 -4.865 -15.404 1.00 0.00 C ATOM 253 CD2 TRP A 19 2.282 -5.666 -13.370 1.00 0.00 C ATOM 254 NE1 TRP A 19 1.169 -4.094 -14.498 1.00 0.00 N ATOM 255 CE2 TRP A 19 1.413 -4.572 -13.239 1.00 0.00 C ATOM 256 CE3 TRP A 19 2.684 -6.350 -12.227 1.00 0.00 C ATOM 257 CZ2 TRP A 19 0.960 -4.124 -11.998 1.00 0.00 C ATOM 258 CZ3 TRP A 19 2.240 -5.910 -10.998 1.00 0.00 C ATOM 259 CH2 TRP A 19 1.383 -4.806 -10.890 1.00 0.00 C ATOM 0 H TRP A 19 2.558 -6.929 -17.858 1.00 0.00 H new ATOM 0 HA TRP A 19 4.694 -5.505 -16.418 1.00 0.00 H new ATOM 0 HB2 TRP A 19 2.764 -7.748 -15.681 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.096 -7.285 -14.641 1.00 0.00 H new ATOM 0 HD1 TRP A 19 1.835 -4.716 -16.474 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.578 -3.294 -14.725 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.332 -7.210 -12.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.301 -3.272 -11.915 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.558 -6.425 -10.103 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.050 -4.488 -9.913 1.00 0.00 H new ATOM 270 N VAL A 20 6.248 -7.661 -16.002 1.00 0.00 N ATOM 271 CA VAL A 20 7.411 -8.564 -16.153 1.00 0.00 C ATOM 272 C VAL A 20 7.986 -8.933 -14.766 1.00 0.00 C ATOM 273 O VAL A 20 8.208 -8.057 -13.933 1.00 0.00 O ATOM 274 CB VAL A 20 8.530 -7.905 -17.067 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.137 -6.615 -16.439 1.00 0.00 C ATOM 276 CG2 VAL A 20 9.633 -8.918 -17.443 1.00 0.00 C ATOM 0 H VAL A 20 6.216 -7.185 -15.101 1.00 0.00 H new ATOM 0 HA VAL A 20 7.074 -9.477 -16.644 1.00 0.00 H new ATOM 0 HB VAL A 20 8.030 -7.601 -17.987 1.00 0.00 H new ATOM 0 HG11 VAL A 20 9.896 -6.208 -17.107 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.349 -5.876 -16.292 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.591 -6.857 -15.478 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.379 -8.428 -18.068 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.108 -9.292 -16.536 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.191 -9.751 -17.990 1.00 0.00 H new ATOM 286 N GLN A 21 8.178 -10.241 -14.506 1.00 0.00 N ATOM 287 CA GLN A 21 8.826 -10.729 -13.265 1.00 0.00 C ATOM 288 C GLN A 21 10.354 -10.613 -13.410 1.00 0.00 C ATOM 289 O GLN A 21 10.920 -11.117 -14.384 1.00 0.00 O ATOM 290 CB GLN A 21 8.398 -12.187 -12.983 1.00 0.00 C ATOM 291 CG GLN A 21 8.910 -12.773 -11.648 1.00 0.00 C ATOM 292 CD GLN A 21 8.332 -14.143 -11.277 1.00 0.00 C ATOM 293 OE1 GLN A 21 8.178 -14.457 -10.099 1.00 0.00 O ATOM 294 NE2 GLN A 21 8.020 -14.973 -12.257 1.00 0.00 N ATOM 0 H GLN A 21 7.893 -10.986 -15.142 1.00 0.00 H new ATOM 0 HA GLN A 21 8.511 -10.119 -12.418 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.309 -12.238 -12.991 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.752 -12.818 -13.798 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.996 -12.855 -11.697 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.680 -12.070 -10.848 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.156 -14.690 -13.228 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.643 -15.896 -12.043 1.00 0.00 H new ATOM 303 N CYS A 22 10.999 -9.943 -12.439 1.00 0.00 N ATOM 304 CA CYS A 22 12.388 -9.451 -12.582 1.00 0.00 C ATOM 305 C CYS A 22 13.474 -10.536 -12.483 1.00 0.00 C ATOM 306 O CYS A 22 13.606 -11.164 -11.442 1.00 0.00 O ATOM 307 CB CYS A 22 12.680 -8.358 -11.554 1.00 0.00 C ATOM 308 SG CYS A 22 14.260 -7.530 -11.870 1.00 0.00 S ATOM 0 H CYS A 22 10.578 -9.726 -11.536 1.00 0.00 H new ATOM 0 HA CYS A 22 12.438 -9.058 -13.597 1.00 0.00 H new ATOM 0 HB2 CYS A 22 11.876 -7.622 -11.570 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.693 -8.794 -10.555 1.00 0.00 H new ATOM 313 N ASP A 23 14.241 -10.690 -13.600 1.00 0.00 N ATOM 314 CA ASP A 23 15.475 -11.532 -13.766 1.00 0.00 C ATOM 315 C ASP A 23 15.698 -12.685 -12.749 1.00 0.00 C ATOM 316 O ASP A 23 15.525 -13.859 -13.087 1.00 0.00 O ATOM 317 CB ASP A 23 16.762 -10.642 -13.855 1.00 0.00 C ATOM 318 CG ASP A 23 17.076 -9.796 -12.598 1.00 0.00 C ATOM 319 OD1 ASP A 23 17.780 -10.279 -11.688 1.00 0.00 O ATOM 320 OD2 ASP A 23 16.618 -8.643 -12.512 1.00 0.00 O ATOM 0 H ASP A 23 14.005 -10.202 -14.464 1.00 0.00 H new ATOM 0 HA ASP A 23 15.284 -12.045 -14.708 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.616 -11.288 -14.059 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.660 -9.970 -14.707 1.00 0.00 H new ATOM 325 N GLY A 24 16.025 -12.321 -11.508 1.00 0.00 N ATOM 326 CA GLY A 24 16.797 -13.166 -10.619 1.00 0.00 C ATOM 327 C GLY A 24 16.440 -13.001 -9.163 1.00 0.00 C ATOM 328 O GLY A 24 15.470 -13.585 -8.679 1.00 0.00 O ATOM 0 H GLY A 24 15.757 -11.427 -11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 24 16.650 -14.208 -10.904 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.856 -12.945 -10.751 1.00 0.00 H new ATOM 332 N SER A 25 17.215 -12.141 -8.477 1.00 0.00 N ATOM 333 CA SER A 25 17.267 -12.109 -7.008 1.00 0.00 C ATOM 334 C SER A 25 16.069 -11.361 -6.418 1.00 0.00 C ATOM 335 O SER A 25 15.365 -11.885 -5.551 1.00 0.00 O ATOM 336 CB SER A 25 18.587 -11.472 -6.547 1.00 0.00 C ATOM 337 OG SER A 25 18.705 -11.462 -5.140 1.00 0.00 O ATOM 0 H SER A 25 17.819 -11.452 -8.925 1.00 0.00 H new ATOM 0 HA SER A 25 17.219 -13.135 -6.643 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.425 -12.021 -6.977 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.648 -10.451 -6.923 1.00 0.00 H new ATOM 0 HG SER A 25 19.558 -11.051 -4.886 1.00 0.00 H new ATOM 343 N CYS A 26 15.836 -10.136 -6.908 1.00 0.00 N ATOM 344 CA CYS A 26 14.797 -9.252 -6.329 1.00 0.00 C ATOM 345 C CYS A 26 13.415 -9.773 -6.751 1.00 0.00 C ATOM 346 O CYS A 26 12.461 -9.704 -5.971 1.00 0.00 O ATOM 347 CB CYS A 26 15.026 -7.750 -6.695 1.00 0.00 C ATOM 348 SG CYS A 26 14.151 -7.097 -8.153 1.00 0.00 S ATOM 0 H CYS A 26 16.343 -9.731 -7.695 1.00 0.00 H new ATOM 0 HA CYS A 26 14.860 -9.283 -5.241 1.00 0.00 H new ATOM 0 HB2 CYS A 26 14.741 -7.147 -5.833 1.00 0.00 H new ATOM 0 HB3 CYS A 26 16.095 -7.600 -6.849 1.00 0.00 H new ATOM 353 N ASN A 27 13.340 -10.308 -8.000 1.00 0.00 N ATOM 354 CA ASN A 27 12.218 -11.147 -8.512 1.00 0.00 C ATOM 355 C ASN A 27 10.891 -10.380 -8.756 1.00 0.00 C ATOM 356 O ASN A 27 10.114 -10.778 -9.623 1.00 0.00 O ATOM 357 CB ASN A 27 11.984 -12.399 -7.604 1.00 0.00 C ATOM 358 CG ASN A 27 10.872 -13.328 -8.128 1.00 0.00 C ATOM 359 OD1 ASN A 27 11.118 -14.181 -8.973 1.00 0.00 O ATOM 360 ND2 ASN A 27 9.644 -13.151 -7.642 1.00 0.00 N ATOM 0 H ASN A 27 14.073 -10.166 -8.695 1.00 0.00 H new ATOM 0 HA ASN A 27 12.543 -11.477 -9.499 1.00 0.00 H new ATOM 0 HB2 ASN A 27 12.914 -12.963 -7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 27 11.728 -12.068 -6.598 1.00 0.00 H new ATOM 0 HD21 ASN A 27 8.876 -13.735 -7.973 1.00 0.00 H new ATOM 0 HD22 ASN A 27 9.472 -12.432 -6.939 1.00 0.00 H new ATOM 367 N GLN A 28 10.663 -9.274 -8.026 1.00 0.00 N ATOM 368 CA GLN A 28 9.382 -8.551 -8.009 1.00 0.00 C ATOM 369 C GLN A 28 8.962 -8.110 -9.424 1.00 0.00 C ATOM 370 O GLN A 28 9.818 -7.825 -10.276 1.00 0.00 O ATOM 371 CB GLN A 28 9.499 -7.308 -7.093 1.00 0.00 C ATOM 372 CG GLN A 28 9.988 -7.571 -5.638 1.00 0.00 C ATOM 373 CD GLN A 28 8.922 -8.040 -4.624 1.00 0.00 C ATOM 374 OE1 GLN A 28 7.902 -8.774 -5.059 1.00 0.00 O flip ATOM 375 NE2 GLN A 28 9.024 -7.737 -3.436 1.00 0.00 N flip ATOM 0 H GLN A 28 11.372 -8.854 -7.425 1.00 0.00 H new ATOM 0 HA GLN A 28 8.619 -9.228 -7.625 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.182 -6.600 -7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.523 -6.825 -7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.777 -8.322 -5.674 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.438 -6.654 -5.259 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.813 -7.173 -3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.320 -8.050 -2.768 1.00 0.00 H new ATOM 384 N TRP A 29 7.652 -8.086 -9.661 1.00 0.00 N ATOM 385 CA TRP A 29 7.081 -7.671 -10.945 1.00 0.00 C ATOM 386 C TRP A 29 7.155 -6.141 -11.104 1.00 0.00 C ATOM 387 O TRP A 29 6.964 -5.394 -10.145 1.00 0.00 O ATOM 388 CB TRP A 29 5.617 -8.158 -11.075 1.00 0.00 C ATOM 389 CG TRP A 29 5.444 -9.660 -11.200 1.00 0.00 C ATOM 390 CD1 TRP A 29 5.823 -10.627 -10.307 1.00 0.00 C ATOM 391 CD2 TRP A 29 4.819 -10.354 -12.288 1.00 0.00 C ATOM 392 NE1 TRP A 29 5.485 -11.871 -10.785 1.00 0.00 N ATOM 393 CE2 TRP A 29 4.854 -11.728 -11.997 1.00 0.00 C ATOM 394 CE3 TRP A 29 4.218 -9.930 -13.470 1.00 0.00 C ATOM 395 CZ2 TRP A 29 4.332 -12.686 -12.863 1.00 0.00 C ATOM 396 CZ3 TRP A 29 3.696 -10.874 -14.331 1.00 0.00 C ATOM 397 CH2 TRP A 29 3.749 -12.241 -14.022 1.00 0.00 C ATOM 0 H TRP A 29 6.953 -8.354 -8.968 1.00 0.00 H new ATOM 0 HA TRP A 29 7.668 -8.128 -11.741 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.058 -7.815 -10.204 1.00 0.00 H new ATOM 0 HB3 TRP A 29 5.169 -7.683 -11.948 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.316 -10.440 -9.364 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.672 -12.757 -10.316 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.161 -8.878 -13.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.384 -13.739 -12.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.240 -10.555 -15.257 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.323 -12.957 -14.709 1.00 0.00 H new ATOM 408 N PHE A 30 7.489 -5.702 -12.314 1.00 0.00 N ATOM 409 CA PHE A 30 7.468 -4.289 -12.720 1.00 0.00 C ATOM 410 C PHE A 30 6.620 -4.174 -13.987 1.00 0.00 C ATOM 411 O PHE A 30 6.550 -5.113 -14.772 1.00 0.00 O ATOM 412 CB PHE A 30 8.899 -3.755 -13.011 1.00 0.00 C ATOM 413 CG PHE A 30 9.871 -3.793 -11.834 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.966 -2.725 -10.937 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.714 -4.885 -11.644 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.871 -2.753 -9.899 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.615 -4.912 -10.598 1.00 0.00 C ATOM 418 CZ PHE A 30 11.694 -3.847 -9.729 1.00 0.00 C ATOM 0 H PHE A 30 7.789 -6.328 -13.061 1.00 0.00 H new ATOM 0 HA PHE A 30 7.051 -3.694 -11.908 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.325 -4.336 -13.829 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.819 -2.725 -13.359 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.322 -1.867 -11.059 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.662 -5.722 -12.324 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.936 -1.918 -9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.258 -5.769 -10.461 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.401 -3.868 -8.913 1.00 0.00 H new ATOM 428 N HIS A 31 5.962 -3.024 -14.161 1.00 0.00 N ATOM 429 CA HIS A 31 5.290 -2.671 -15.434 1.00 0.00 C ATOM 430 C HIS A 31 6.377 -2.187 -16.413 1.00 0.00 C ATOM 431 O HIS A 31 7.380 -1.607 -15.986 1.00 0.00 O ATOM 432 CB HIS A 31 4.151 -1.587 -15.234 1.00 0.00 C ATOM 433 CG HIS A 31 3.868 -1.230 -13.793 1.00 0.00 C ATOM 434 ND1 HIS A 31 3.627 -2.163 -12.823 1.00 0.00 N ATOM 435 CD2 HIS A 31 4.063 -0.066 -13.145 1.00 0.00 C ATOM 436 CE1 HIS A 31 3.721 -1.553 -11.638 1.00 0.00 C ATOM 437 NE2 HIS A 31 4.010 -0.263 -11.765 1.00 0.00 N ATOM 0 H HIS A 31 5.875 -2.311 -13.436 1.00 0.00 H new ATOM 0 HA HIS A 31 4.782 -3.547 -15.837 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.432 -0.681 -15.771 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.232 -1.956 -15.690 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.414 -3.149 -12.977 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.236 0.886 -13.626 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.579 -2.050 -10.690 1.00 0.00 H new ATOM 445 N GLN A 32 6.176 -2.437 -17.710 1.00 0.00 N ATOM 446 CA GLN A 32 7.123 -2.046 -18.772 1.00 0.00 C ATOM 447 C GLN A 32 7.341 -0.522 -18.763 1.00 0.00 C ATOM 448 O GLN A 32 8.441 -0.041 -19.017 1.00 0.00 O ATOM 449 CB GLN A 32 6.597 -2.559 -20.160 1.00 0.00 C ATOM 450 CG GLN A 32 7.314 -3.818 -20.717 1.00 0.00 C ATOM 451 CD GLN A 32 7.652 -4.884 -19.669 1.00 0.00 C ATOM 452 OE1 GLN A 32 8.727 -4.863 -19.067 1.00 0.00 O ATOM 453 NE2 GLN A 32 6.753 -5.828 -19.462 1.00 0.00 N ATOM 0 H GLN A 32 5.348 -2.919 -18.060 1.00 0.00 H new ATOM 0 HA GLN A 32 8.093 -2.509 -18.588 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.533 -2.778 -20.068 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.695 -1.753 -20.888 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.683 -4.269 -21.482 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.236 -3.506 -21.207 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.873 -5.816 -19.977 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.938 -6.570 -18.787 1.00 0.00 H new ATOM 462 N VAL A 33 6.275 0.214 -18.427 1.00 0.00 N ATOM 463 CA VAL A 33 6.312 1.681 -18.297 1.00 0.00 C ATOM 464 C VAL A 33 6.999 2.149 -16.981 1.00 0.00 C ATOM 465 O VAL A 33 7.448 3.290 -16.884 1.00 0.00 O ATOM 466 CB VAL A 33 4.859 2.266 -18.394 1.00 0.00 C ATOM 467 CG1 VAL A 33 4.236 1.965 -19.780 1.00 0.00 C ATOM 468 CG2 VAL A 33 3.957 1.710 -17.264 1.00 0.00 C ATOM 0 H VAL A 33 5.358 -0.190 -18.236 1.00 0.00 H new ATOM 0 HA VAL A 33 6.915 2.063 -19.121 1.00 0.00 H new ATOM 0 HB VAL A 33 4.927 3.347 -18.273 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.229 2.380 -19.824 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.849 2.416 -20.560 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.191 0.887 -19.932 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.956 2.132 -17.356 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.901 0.624 -17.344 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.378 1.981 -16.296 1.00 0.00 H new ATOM 478 N CYS A 34 7.040 1.258 -15.963 1.00 0.00 N ATOM 479 CA CYS A 34 7.691 1.544 -14.639 1.00 0.00 C ATOM 480 C CYS A 34 9.222 1.591 -14.771 1.00 0.00 C ATOM 481 O CYS A 34 9.891 2.401 -14.124 1.00 0.00 O ATOM 482 CB CYS A 34 7.294 0.466 -13.591 1.00 0.00 C ATOM 483 SG CYS A 34 7.409 0.954 -11.832 1.00 0.00 S ATOM 0 H CYS A 34 6.630 0.326 -16.023 1.00 0.00 H new ATOM 0 HA CYS A 34 7.339 2.520 -14.304 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.269 0.156 -13.792 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.927 -0.408 -13.744 1.00 0.00 H new ATOM 488 N VAL A 35 9.758 0.700 -15.629 1.00 0.00 N ATOM 489 CA VAL A 35 11.214 0.471 -15.777 1.00 0.00 C ATOM 490 C VAL A 35 11.715 0.790 -17.197 1.00 0.00 C ATOM 491 O VAL A 35 12.877 0.506 -17.515 1.00 0.00 O ATOM 492 CB VAL A 35 11.590 -1.007 -15.358 1.00 0.00 C ATOM 493 CG1 VAL A 35 11.543 -1.165 -13.821 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.657 -2.046 -16.034 1.00 0.00 C ATOM 0 H VAL A 35 9.192 0.115 -16.243 1.00 0.00 H new ATOM 0 HA VAL A 35 11.721 1.162 -15.104 1.00 0.00 H new ATOM 0 HB VAL A 35 12.607 -1.197 -15.701 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.805 -2.188 -13.552 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.253 -0.477 -13.363 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.538 -0.941 -13.463 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.945 -3.050 -15.723 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.625 -1.856 -15.737 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.744 -1.963 -17.117 1.00 0.00 H new ATOM 504 N GLY A 36 10.837 1.389 -18.034 1.00 0.00 N ATOM 505 CA GLY A 36 11.210 1.862 -19.381 1.00 0.00 C ATOM 506 C GLY A 36 11.643 0.751 -20.340 1.00 0.00 C ATOM 507 O GLY A 36 12.465 0.976 -21.232 1.00 0.00 O ATOM 0 H GLY A 36 9.860 1.556 -17.795 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.362 2.391 -19.815 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.022 2.583 -19.288 1.00 0.00 H new ATOM 511 N VAL A 37 11.101 -0.455 -20.134 1.00 0.00 N ATOM 512 CA VAL A 37 11.378 -1.628 -20.981 1.00 0.00 C ATOM 513 C VAL A 37 10.314 -1.721 -22.087 1.00 0.00 C ATOM 514 O VAL A 37 9.151 -1.376 -21.864 1.00 0.00 O ATOM 515 CB VAL A 37 11.388 -2.942 -20.114 1.00 0.00 C ATOM 516 CG1 VAL A 37 11.656 -4.215 -20.956 1.00 0.00 C ATOM 517 CG2 VAL A 37 12.417 -2.828 -18.978 1.00 0.00 C ATOM 0 H VAL A 37 10.453 -0.649 -19.370 1.00 0.00 H new ATOM 0 HA VAL A 37 12.361 -1.517 -21.438 1.00 0.00 H new ATOM 0 HB VAL A 37 10.389 -3.046 -19.690 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.651 -5.089 -20.305 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.878 -4.321 -21.712 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.627 -4.131 -21.444 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.411 -3.745 -18.388 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.410 -2.675 -19.401 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.161 -1.983 -18.338 1.00 0.00 H new ATOM 527 N SER A 38 10.731 -2.150 -23.280 1.00 0.00 N ATOM 528 CA SER A 38 9.825 -2.404 -24.409 1.00 0.00 C ATOM 529 C SER A 38 9.154 -3.787 -24.243 1.00 0.00 C ATOM 530 O SER A 38 9.791 -4.702 -23.713 1.00 0.00 O ATOM 531 CB SER A 38 10.635 -2.344 -25.717 1.00 0.00 C ATOM 532 OG SER A 38 11.415 -1.161 -25.777 1.00 0.00 O ATOM 0 H SER A 38 11.711 -2.333 -23.494 1.00 0.00 H new ATOM 0 HA SER A 38 9.040 -1.648 -24.438 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.285 -3.216 -25.787 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.958 -2.381 -26.570 1.00 0.00 H new ATOM 0 HG SER A 38 11.922 -1.146 -26.616 1.00 0.00 H new ATOM 538 N PRO A 39 7.855 -3.968 -24.666 1.00 0.00 N ATOM 539 CA PRO A 39 7.197 -5.303 -24.679 1.00 0.00 C ATOM 540 C PRO A 39 7.997 -6.343 -25.505 1.00 0.00 C ATOM 541 O PRO A 39 8.117 -7.502 -25.099 1.00 0.00 O ATOM 542 CB PRO A 39 5.806 -5.013 -25.300 1.00 0.00 C ATOM 543 CG PRO A 39 5.557 -3.567 -24.999 1.00 0.00 C ATOM 544 CD PRO A 39 6.913 -2.902 -25.109 1.00 0.00 C ATOM 0 HA PRO A 39 7.131 -5.747 -23.686 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.803 -5.201 -26.374 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.036 -5.648 -24.863 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.847 -3.134 -25.704 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.135 -3.439 -24.002 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.121 -2.580 -26.129 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.980 -2.018 -24.475 1.00 0.00 H new ATOM 552 N GLU A 40 8.576 -5.877 -26.644 1.00 0.00 N ATOM 553 CA GLU A 40 9.492 -6.681 -27.493 1.00 0.00 C ATOM 554 C GLU A 40 10.726 -7.145 -26.691 1.00 0.00 C ATOM 555 O GLU A 40 11.127 -8.314 -26.763 1.00 0.00 O ATOM 556 CB GLU A 40 9.977 -5.859 -28.716 1.00 0.00 C ATOM 557 CG GLU A 40 8.881 -5.452 -29.717 1.00 0.00 C ATOM 558 CD GLU A 40 9.460 -4.722 -30.943 1.00 0.00 C ATOM 559 OE1 GLU A 40 9.991 -5.400 -31.851 1.00 0.00 O ATOM 560 OE2 GLU A 40 9.417 -3.476 -30.994 1.00 0.00 O ATOM 0 H GLU A 40 8.420 -4.933 -26.998 1.00 0.00 H new ATOM 0 HA GLU A 40 8.932 -7.551 -27.835 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.467 -4.956 -28.353 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.732 -6.440 -29.246 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.342 -6.341 -30.046 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.157 -4.806 -29.219 1.00 0.00 H new ATOM 567 N MET A 41 11.306 -6.196 -25.934 1.00 0.00 N ATOM 568 CA MET A 41 12.483 -6.436 -25.078 1.00 0.00 C ATOM 569 C MET A 41 12.183 -7.488 -24.011 1.00 0.00 C ATOM 570 O MET A 41 12.966 -8.402 -23.832 1.00 0.00 O ATOM 571 CB MET A 41 12.971 -5.111 -24.411 1.00 0.00 C ATOM 572 CG MET A 41 13.938 -4.286 -25.264 1.00 0.00 C ATOM 573 SD MET A 41 15.489 -5.162 -25.584 1.00 0.00 S ATOM 574 CE MET A 41 16.057 -5.544 -23.920 1.00 0.00 C ATOM 0 H MET A 41 10.969 -5.234 -25.899 1.00 0.00 H new ATOM 0 HA MET A 41 13.282 -6.814 -25.716 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.102 -4.497 -24.174 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.457 -5.353 -23.466 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.461 -4.037 -26.212 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.153 -3.344 -24.758 1.00 0.00 H new ATOM 0 HE1 MET A 41 17.096 -5.871 -23.956 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.978 -4.654 -23.295 1.00 0.00 H new ATOM 0 HE3 MET A 41 15.441 -6.339 -23.499 1.00 0.00 H new ATOM 584 N ALA A 42 11.027 -7.355 -23.347 1.00 0.00 N ATOM 585 CA ALA A 42 10.608 -8.247 -22.252 1.00 0.00 C ATOM 586 C ALA A 42 10.393 -9.691 -22.756 1.00 0.00 C ATOM 587 O ALA A 42 10.710 -10.662 -22.060 1.00 0.00 O ATOM 588 CB ALA A 42 9.343 -7.684 -21.599 1.00 0.00 C ATOM 0 H ALA A 42 10.350 -6.621 -23.554 1.00 0.00 H new ATOM 0 HA ALA A 42 11.400 -8.292 -21.504 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.029 -8.341 -20.788 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.550 -6.690 -21.202 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.548 -7.619 -22.342 1.00 0.00 H new ATOM 594 N GLU A 43 9.885 -9.807 -23.991 1.00 0.00 N ATOM 595 CA GLU A 43 9.703 -11.098 -24.675 1.00 0.00 C ATOM 596 C GLU A 43 11.056 -11.737 -25.058 1.00 0.00 C ATOM 597 O GLU A 43 11.218 -12.957 -24.964 1.00 0.00 O ATOM 598 CB GLU A 43 8.840 -10.899 -25.946 1.00 0.00 C ATOM 599 CG GLU A 43 7.362 -10.560 -25.688 1.00 0.00 C ATOM 600 CD GLU A 43 6.595 -11.713 -25.023 1.00 0.00 C ATOM 601 OE1 GLU A 43 6.200 -12.664 -25.740 1.00 0.00 O ATOM 602 OE2 GLU A 43 6.373 -11.679 -23.796 1.00 0.00 O ATOM 0 H GLU A 43 9.587 -9.005 -24.547 1.00 0.00 H new ATOM 0 HA GLU A 43 9.197 -11.774 -23.985 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.280 -10.101 -26.543 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.888 -11.809 -26.545 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.302 -9.676 -25.053 1.00 0.00 H new ATOM 0 HG3 GLU A 43 6.881 -10.307 -26.633 1.00 0.00 H new ATOM 609 N LYS A 44 12.008 -10.895 -25.493 1.00 0.00 N ATOM 610 CA LYS A 44 13.324 -11.343 -25.990 1.00 0.00 C ATOM 611 C LYS A 44 14.239 -11.792 -24.833 1.00 0.00 C ATOM 612 O LYS A 44 14.878 -12.845 -24.910 1.00 0.00 O ATOM 613 CB LYS A 44 13.986 -10.205 -26.810 1.00 0.00 C ATOM 614 CG LYS A 44 15.340 -10.586 -27.444 1.00 0.00 C ATOM 615 CD LYS A 44 15.803 -9.576 -28.514 1.00 0.00 C ATOM 616 CE LYS A 44 17.109 -10.015 -29.185 1.00 0.00 C ATOM 617 NZ LYS A 44 18.257 -9.970 -28.243 1.00 0.00 N ATOM 0 H LYS A 44 11.889 -9.882 -25.511 1.00 0.00 H new ATOM 0 HA LYS A 44 13.175 -12.207 -26.637 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.302 -9.897 -27.600 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.132 -9.342 -26.160 1.00 0.00 H new ATOM 0 HG2 LYS A 44 16.096 -10.653 -26.662 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.260 -11.575 -27.895 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.025 -9.466 -29.270 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.942 -8.598 -28.054 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.996 -11.028 -29.572 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.314 -9.369 -30.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 18.992 -9.339 -28.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.935 -9.613 -27.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.648 -10.927 -28.127 1.00 0.00 H new ATOM 631 N GLU A 45 14.255 -10.998 -23.759 1.00 0.00 N ATOM 632 CA GLU A 45 15.178 -11.158 -22.626 1.00 0.00 C ATOM 633 C GLU A 45 14.640 -10.398 -21.408 1.00 0.00 C ATOM 634 O GLU A 45 13.907 -9.420 -21.553 1.00 0.00 O ATOM 635 CB GLU A 45 16.598 -10.655 -23.029 1.00 0.00 C ATOM 636 CG GLU A 45 16.632 -9.214 -23.589 1.00 0.00 C ATOM 637 CD GLU A 45 17.962 -8.862 -24.272 1.00 0.00 C ATOM 638 OE1 GLU A 45 18.910 -8.441 -23.579 1.00 0.00 O ATOM 639 OE2 GLU A 45 18.071 -9.029 -25.508 1.00 0.00 O ATOM 0 H GLU A 45 13.616 -10.211 -23.648 1.00 0.00 H new ATOM 0 HA GLU A 45 15.255 -12.212 -22.359 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.250 -10.708 -22.157 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.011 -11.332 -23.777 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.819 -9.090 -24.305 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.451 -8.511 -22.776 1.00 0.00 H new ATOM 646 N ASP A 46 15.006 -10.851 -20.209 1.00 0.00 N ATOM 647 CA ASP A 46 14.522 -10.251 -18.952 1.00 0.00 C ATOM 648 C ASP A 46 15.188 -8.898 -18.672 1.00 0.00 C ATOM 649 O ASP A 46 16.348 -8.667 -19.049 1.00 0.00 O ATOM 650 CB ASP A 46 14.773 -11.208 -17.761 1.00 0.00 C ATOM 651 CG ASP A 46 13.944 -12.495 -17.825 1.00 0.00 C ATOM 652 OD1 ASP A 46 12.703 -12.417 -17.701 1.00 0.00 O ATOM 653 OD2 ASP A 46 14.521 -13.590 -17.990 1.00 0.00 O ATOM 0 H ASP A 46 15.641 -11.638 -20.075 1.00 0.00 H new ATOM 0 HA ASP A 46 13.451 -10.085 -19.067 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.831 -11.468 -17.731 1.00 0.00 H new ATOM 0 HB3 ASP A 46 14.547 -10.685 -16.832 1.00 0.00 H new ATOM 658 N TYR A 47 14.425 -8.005 -18.017 1.00 0.00 N ATOM 659 CA TYR A 47 14.958 -6.784 -17.419 1.00 0.00 C ATOM 660 C TYR A 47 15.762 -7.166 -16.168 1.00 0.00 C ATOM 661 O TYR A 47 15.247 -7.858 -15.273 1.00 0.00 O ATOM 662 CB TYR A 47 13.816 -5.793 -17.051 1.00 0.00 C ATOM 663 CG TYR A 47 14.283 -4.635 -16.145 1.00 0.00 C ATOM 664 CD1 TYR A 47 15.173 -3.663 -16.612 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.874 -4.549 -14.807 1.00 0.00 C ATOM 666 CE1 TYR A 47 15.624 -2.655 -15.790 1.00 0.00 C ATOM 667 CE2 TYR A 47 14.324 -3.536 -13.989 1.00 0.00 C ATOM 668 CZ TYR A 47 15.200 -2.598 -14.486 1.00 0.00 C ATOM 669 OH TYR A 47 15.649 -1.582 -13.678 1.00 0.00 O ATOM 0 H TYR A 47 13.419 -8.117 -17.891 1.00 0.00 H new ATOM 0 HA TYR A 47 15.603 -6.281 -18.139 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.393 -5.381 -17.967 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.018 -6.339 -16.549 1.00 0.00 H new ATOM 0 HD1 TYR A 47 15.513 -3.704 -17.636 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.195 -5.289 -14.411 1.00 0.00 H new ATOM 0 HE1 TYR A 47 16.309 -1.912 -16.170 1.00 0.00 H new ATOM 0 HE2 TYR A 47 13.991 -3.478 -12.963 1.00 0.00 H new ATOM 0 HH TYR A 47 15.259 -1.678 -12.784 1.00 0.00 H new ATOM 679 N ILE A 48 17.025 -6.721 -16.113 1.00 0.00 N ATOM 680 CA ILE A 48 17.889 -6.937 -14.947 1.00 0.00 C ATOM 681 C ILE A 48 18.187 -5.569 -14.296 1.00 0.00 C ATOM 682 O ILE A 48 18.615 -4.643 -14.995 1.00 0.00 O ATOM 683 CB ILE A 48 19.234 -7.691 -15.337 1.00 0.00 C ATOM 684 CG1 ILE A 48 18.955 -8.870 -16.333 1.00 0.00 C ATOM 685 CG2 ILE A 48 19.945 -8.228 -14.065 1.00 0.00 C ATOM 686 CD1 ILE A 48 20.194 -9.623 -16.817 1.00 0.00 C ATOM 0 H ILE A 48 17.473 -6.205 -16.870 1.00 0.00 H new ATOM 0 HA ILE A 48 17.371 -7.580 -14.236 1.00 0.00 H new ATOM 0 HB ILE A 48 19.887 -6.972 -15.832 1.00 0.00 H new ATOM 0 HG12 ILE A 48 18.284 -9.580 -15.850 1.00 0.00 H new ATOM 0 HG13 ILE A 48 18.429 -8.474 -17.201 1.00 0.00 H new ATOM 0 HG21 ILE A 48 20.863 -8.741 -14.351 1.00 0.00 H new ATOM 0 HG22 ILE A 48 20.185 -7.396 -13.404 1.00 0.00 H new ATOM 0 HG23 ILE A 48 19.286 -8.925 -13.547 1.00 0.00 H new ATOM 0 HD11 ILE A 48 19.893 -10.417 -17.500 1.00 0.00 H new ATOM 0 HD12 ILE A 48 20.860 -8.933 -17.334 1.00 0.00 H new ATOM 0 HD13 ILE A 48 20.713 -10.057 -15.962 1.00 0.00 H new ATOM 698 N CYS A 49 17.914 -5.428 -12.968 1.00 0.00 N ATOM 699 CA CYS A 49 18.300 -4.202 -12.203 1.00 0.00 C ATOM 700 C CYS A 49 19.840 -4.098 -12.120 1.00 0.00 C ATOM 701 O CYS A 49 20.552 -5.090 -12.376 1.00 0.00 O ATOM 702 CB CYS A 49 17.760 -4.198 -10.737 1.00 0.00 C ATOM 703 SG CYS A 49 15.987 -4.511 -10.472 1.00 0.00 S ATOM 0 H CYS A 49 17.436 -6.135 -12.410 1.00 0.00 H new ATOM 0 HA CYS A 49 17.860 -3.362 -12.741 1.00 0.00 H new ATOM 0 HB2 CYS A 49 18.318 -4.947 -10.175 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.996 -3.229 -10.298 1.00 0.00 H new ATOM 708 N VAL A 50 20.341 -2.923 -11.697 1.00 0.00 N ATOM 709 CA VAL A 50 21.776 -2.720 -11.444 1.00 0.00 C ATOM 710 C VAL A 50 22.246 -3.659 -10.310 1.00 0.00 C ATOM 711 O VAL A 50 23.210 -4.384 -10.484 1.00 0.00 O ATOM 712 CB VAL A 50 22.111 -1.225 -11.084 1.00 0.00 C ATOM 713 CG1 VAL A 50 23.637 -1.003 -10.921 1.00 0.00 C ATOM 714 CG2 VAL A 50 21.520 -0.265 -12.140 1.00 0.00 C ATOM 0 H VAL A 50 19.768 -2.097 -11.523 1.00 0.00 H new ATOM 0 HA VAL A 50 22.310 -2.958 -12.364 1.00 0.00 H new ATOM 0 HB VAL A 50 21.648 -1.004 -10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 50 23.828 0.041 -10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 50 24.014 -1.641 -10.122 1.00 0.00 H new ATOM 0 HG13 VAL A 50 24.143 -1.253 -11.854 1.00 0.00 H new ATOM 0 HG21 VAL A 50 21.763 0.764 -11.873 1.00 0.00 H new ATOM 0 HG22 VAL A 50 21.943 -0.495 -13.118 1.00 0.00 H new ATOM 0 HG23 VAL A 50 20.437 -0.385 -12.175 1.00 0.00 H new ATOM 724 N ARG A 51 21.502 -3.685 -9.177 1.00 0.00 N ATOM 725 CA ARG A 51 21.824 -4.571 -8.024 1.00 0.00 C ATOM 726 C ARG A 51 21.727 -6.050 -8.449 1.00 0.00 C ATOM 727 O ARG A 51 22.652 -6.818 -8.215 1.00 0.00 O ATOM 728 CB ARG A 51 20.900 -4.298 -6.789 1.00 0.00 C ATOM 729 CG ARG A 51 21.187 -2.984 -6.014 1.00 0.00 C ATOM 730 CD ARG A 51 20.848 -1.727 -6.826 1.00 0.00 C ATOM 731 NE ARG A 51 21.225 -0.485 -6.134 1.00 0.00 N ATOM 732 CZ ARG A 51 20.375 0.464 -5.723 1.00 0.00 C ATOM 733 NH1 ARG A 51 19.062 0.329 -5.898 1.00 0.00 N ATOM 734 NH2 ARG A 51 20.850 1.560 -5.156 1.00 0.00 N ATOM 0 H ARG A 51 20.675 -3.105 -9.034 1.00 0.00 H new ATOM 0 HA ARG A 51 22.846 -4.348 -7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 51 19.865 -4.279 -7.130 1.00 0.00 H new ATOM 0 HB3 ARG A 51 20.993 -5.135 -6.097 1.00 0.00 H new ATOM 0 HG2 ARG A 51 20.610 -2.980 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 51 22.240 -2.956 -5.733 1.00 0.00 H new ATOM 0 HD2 ARG A 51 21.359 -1.772 -7.788 1.00 0.00 H new ATOM 0 HD3 ARG A 51 19.778 -1.712 -7.034 1.00 0.00 H new ATOM 0 HE ARG A 51 22.217 -0.334 -5.952 1.00 0.00 H new ATOM 0 HH11 ARG A 51 18.691 -0.506 -6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 51 18.427 1.061 -5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 51 21.856 1.677 -5.035 1.00 0.00 H new ATOM 0 HH22 ARG A 51 20.210 2.289 -4.840 1.00 0.00 H new ATOM 748 N CYS A 52 20.606 -6.394 -9.125 1.00 0.00 N ATOM 749 CA CYS A 52 20.354 -7.734 -9.723 1.00 0.00 C ATOM 750 C CYS A 52 21.555 -8.256 -10.571 1.00 0.00 C ATOM 751 O CYS A 52 21.920 -9.438 -10.466 1.00 0.00 O ATOM 752 CB CYS A 52 19.053 -7.672 -10.564 1.00 0.00 C ATOM 753 SG CYS A 52 17.516 -8.006 -9.604 1.00 0.00 S ATOM 0 H CYS A 52 19.837 -5.741 -9.275 1.00 0.00 H new ATOM 0 HA CYS A 52 20.235 -8.452 -8.911 1.00 0.00 H new ATOM 0 HB2 CYS A 52 18.976 -6.685 -11.021 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.124 -8.395 -11.377 1.00 0.00 H new ATOM 758 N THR A 53 22.191 -7.369 -11.371 1.00 0.00 N ATOM 759 CA THR A 53 23.326 -7.773 -12.243 1.00 0.00 C ATOM 760 C THR A 53 24.661 -7.799 -11.468 1.00 0.00 C ATOM 761 O THR A 53 25.551 -8.604 -11.779 1.00 0.00 O ATOM 762 CB THR A 53 23.443 -6.895 -13.546 1.00 0.00 C ATOM 763 OG1 THR A 53 24.291 -7.552 -14.503 1.00 0.00 O ATOM 764 CG2 THR A 53 23.983 -5.480 -13.292 1.00 0.00 C ATOM 0 H THR A 53 21.944 -6.381 -11.433 1.00 0.00 H new ATOM 0 HA THR A 53 23.106 -8.789 -12.570 1.00 0.00 H new ATOM 0 HB THR A 53 22.428 -6.786 -13.928 1.00 0.00 H new ATOM 0 HG1 THR A 53 24.359 -7.002 -15.312 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.035 -4.936 -14.235 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.318 -4.955 -12.606 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.979 -5.544 -12.854 1.00 0.00 H new ATOM 772 N VAL A 54 24.768 -6.931 -10.441 1.00 0.00 N ATOM 773 CA VAL A 54 25.950 -6.850 -9.556 1.00 0.00 C ATOM 774 C VAL A 54 26.048 -8.100 -8.654 1.00 0.00 C ATOM 775 O VAL A 54 27.159 -8.524 -8.305 1.00 0.00 O ATOM 776 CB VAL A 54 25.932 -5.499 -8.714 1.00 0.00 C ATOM 777 CG1 VAL A 54 26.979 -5.468 -7.566 1.00 0.00 C ATOM 778 CG2 VAL A 54 26.152 -4.291 -9.657 1.00 0.00 C ATOM 0 H VAL A 54 24.035 -6.264 -10.201 1.00 0.00 H new ATOM 0 HA VAL A 54 26.848 -6.831 -10.174 1.00 0.00 H new ATOM 0 HB VAL A 54 24.952 -5.442 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.909 -4.518 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 54 26.783 -6.286 -6.873 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.980 -5.578 -7.983 1.00 0.00 H new ATOM 0 HG21 VAL A 54 26.139 -3.369 -9.076 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.115 -4.391 -10.158 1.00 0.00 H new ATOM 0 HG23 VAL A 54 25.357 -4.262 -10.402 1.00 0.00 H new ATOM 788 N LYS A 55 24.883 -8.710 -8.316 1.00 0.00 N ATOM 789 CA LYS A 55 24.835 -9.975 -7.549 1.00 0.00 C ATOM 790 C LYS A 55 25.522 -11.087 -8.370 1.00 0.00 C ATOM 791 O LYS A 55 26.566 -11.616 -7.966 1.00 0.00 O ATOM 792 CB LYS A 55 23.369 -10.386 -7.207 1.00 0.00 C ATOM 793 CG LYS A 55 22.561 -9.350 -6.392 1.00 0.00 C ATOM 794 CD LYS A 55 23.242 -8.944 -5.062 1.00 0.00 C ATOM 795 CE LYS A 55 22.469 -7.842 -4.311 1.00 0.00 C ATOM 796 NZ LYS A 55 23.118 -7.495 -3.021 1.00 0.00 N ATOM 0 H LYS A 55 23.964 -8.343 -8.565 1.00 0.00 H new ATOM 0 HA LYS A 55 25.360 -9.828 -6.605 1.00 0.00 H new ATOM 0 HB2 LYS A 55 22.839 -10.583 -8.139 1.00 0.00 H new ATOM 0 HB3 LYS A 55 23.393 -11.322 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 55 22.410 -8.458 -7.001 1.00 0.00 H new ATOM 0 HG3 LYS A 55 21.574 -9.759 -6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 55 23.331 -9.821 -4.421 1.00 0.00 H new ATOM 0 HD3 LYS A 55 24.254 -8.596 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 55 22.405 -6.952 -4.937 1.00 0.00 H new ATOM 0 HE3 LYS A 55 21.448 -8.176 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.569 -6.751 -2.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 23.156 -8.338 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 24.084 -7.153 -3.199 1.00 0.00 H new ATOM 810 N ASP A 56 24.931 -11.386 -9.545 1.00 0.00 N ATOM 811 CA ASP A 56 25.479 -12.324 -10.542 1.00 0.00 C ATOM 812 C ASP A 56 24.610 -12.335 -11.817 1.00 0.00 C ATOM 813 O ASP A 56 25.123 -12.622 -12.905 1.00 0.00 O ATOM 814 CB ASP A 56 25.621 -13.763 -9.975 1.00 0.00 C ATOM 815 CG ASP A 56 24.283 -14.481 -9.707 1.00 0.00 C ATOM 816 OD1 ASP A 56 23.557 -14.061 -8.784 1.00 0.00 O ATOM 817 OD2 ASP A 56 23.958 -15.463 -10.416 1.00 0.00 O ATOM 0 H ASP A 56 24.043 -10.974 -9.831 1.00 0.00 H new ATOM 0 HA ASP A 56 26.478 -11.971 -10.797 1.00 0.00 H new ATOM 0 HB2 ASP A 56 26.205 -14.360 -10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 56 26.188 -13.719 -9.045 1.00 0.00 H new ATOM 822 N ALA A 57 23.297 -12.047 -11.646 1.00 0.00 N ATOM 823 CA ALA A 57 22.276 -12.076 -12.720 1.00 0.00 C ATOM 824 C ALA A 57 22.074 -13.514 -13.254 1.00 0.00 C ATOM 825 O ALA A 57 22.628 -13.882 -14.300 1.00 0.00 O ATOM 826 CB ALA A 57 22.578 -11.076 -13.862 1.00 0.00 C ATOM 0 H ALA A 57 22.911 -11.783 -10.740 1.00 0.00 H new ATOM 0 HA ALA A 57 21.337 -11.747 -12.274 1.00 0.00 H new ATOM 0 HB1 ALA A 57 21.797 -11.142 -14.619 1.00 0.00 H new ATOM 0 HB2 ALA A 57 22.609 -10.063 -13.460 1.00 0.00 H new ATOM 0 HB3 ALA A 57 23.541 -11.318 -14.312 1.00 0.00 H new ATOM 832 N PRO A 58 21.313 -14.376 -12.512 1.00 0.00 N ATOM 833 CA PRO A 58 21.016 -15.757 -12.945 1.00 0.00 C ATOM 834 C PRO A 58 19.742 -15.836 -13.806 1.00 0.00 C ATOM 835 O PRO A 58 19.039 -14.830 -13.997 1.00 0.00 O ATOM 836 CB PRO A 58 20.830 -16.469 -11.592 1.00 0.00 C ATOM 837 CG PRO A 58 20.155 -15.439 -10.726 1.00 0.00 C ATOM 838 CD PRO A 58 20.685 -14.086 -11.185 1.00 0.00 C ATOM 0 HA PRO A 58 21.789 -16.193 -13.578 1.00 0.00 H new ATOM 0 HB2 PRO A 58 20.219 -17.366 -11.694 1.00 0.00 H new ATOM 0 HB3 PRO A 58 21.786 -16.780 -11.170 1.00 0.00 H new ATOM 0 HG2 PRO A 58 19.071 -15.490 -10.833 1.00 0.00 H new ATOM 0 HG3 PRO A 58 20.379 -15.608 -9.673 1.00 0.00 H new ATOM 0 HD2 PRO A 58 19.884 -13.353 -11.274 1.00 0.00 H new ATOM 0 HD3 PRO A 58 21.411 -13.681 -10.480 1.00 0.00 H new ATOM 846 N SER A 59 19.471 -17.033 -14.346 1.00 0.00 N ATOM 847 CA SER A 59 18.179 -17.353 -14.946 1.00 0.00 C ATOM 848 C SER A 59 17.227 -17.783 -13.808 1.00 0.00 C ATOM 849 O SER A 59 16.486 -16.940 -13.284 1.00 0.00 O ATOM 850 CB SER A 59 18.352 -18.419 -16.060 1.00 0.00 C ATOM 851 OG SER A 59 19.061 -19.556 -15.601 1.00 0.00 O ATOM 0 H SER A 59 20.142 -17.800 -14.376 1.00 0.00 H new ATOM 0 HA SER A 59 17.739 -16.489 -15.444 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.371 -18.726 -16.424 1.00 0.00 H new ATOM 0 HB3 SER A 59 18.882 -17.978 -16.905 1.00 0.00 H new ATOM 0 HG SER A 59 19.147 -20.204 -16.331 1.00 0.00 H new ATOM 857 N ARG A 60 17.324 -19.067 -13.392 1.00 0.00 N ATOM 858 CA ARG A 60 16.601 -19.633 -12.237 1.00 0.00 C ATOM 859 C ARG A 60 16.930 -21.132 -12.148 1.00 0.00 C ATOM 860 O ARG A 60 17.633 -21.579 -11.238 1.00 0.00 O ATOM 861 CB ARG A 60 15.052 -19.426 -12.332 1.00 0.00 C ATOM 862 CG ARG A 60 14.265 -19.890 -11.080 1.00 0.00 C ATOM 863 CD ARG A 60 12.751 -19.624 -11.184 1.00 0.00 C ATOM 864 NE ARG A 60 12.435 -18.187 -11.353 1.00 0.00 N ATOM 865 CZ ARG A 60 11.400 -17.540 -10.794 1.00 0.00 C ATOM 866 NH1 ARG A 60 10.536 -18.180 -10.027 1.00 0.00 N ATOM 867 NH2 ARG A 60 11.233 -16.248 -11.019 1.00 0.00 N ATOM 0 H ARG A 60 17.920 -19.749 -13.861 1.00 0.00 H new ATOM 0 HA ARG A 60 16.927 -19.108 -11.339 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.849 -18.369 -12.502 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.678 -19.966 -13.202 1.00 0.00 H new ATOM 0 HG2 ARG A 60 14.431 -20.957 -10.929 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.658 -19.379 -10.201 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.345 -20.183 -12.027 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.258 -19.997 -10.287 1.00 0.00 H new ATOM 0 HE ARG A 60 13.059 -17.641 -11.947 1.00 0.00 H new ATOM 0 HH11 ARG A 60 10.651 -19.178 -9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.754 -17.676 -9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.890 -15.745 -11.616 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.447 -15.754 -10.596 1.00 0.00 H new ATOM 881 N LYS A 61 16.416 -21.884 -13.131 1.00 0.00 N ATOM 882 CA LYS A 61 16.554 -23.352 -13.224 1.00 0.00 C ATOM 883 C LYS A 61 16.732 -23.735 -14.715 1.00 0.00 C ATOM 884 O LYS A 61 15.722 -23.764 -15.454 1.00 0.00 O ATOM 885 CB LYS A 61 15.309 -24.069 -12.602 1.00 0.00 C ATOM 886 CG LYS A 61 15.166 -23.904 -11.070 1.00 0.00 C ATOM 887 CD LYS A 61 13.827 -24.442 -10.520 1.00 0.00 C ATOM 888 CE LYS A 61 12.613 -23.686 -11.087 1.00 0.00 C ATOM 889 NZ LYS A 61 11.339 -24.192 -10.534 1.00 0.00 N ATOM 890 OXT LYS A 61 17.882 -23.978 -15.148 1.00 0.00 O ATOM 0 H LYS A 61 15.881 -21.485 -13.902 1.00 0.00 H new ATOM 0 HA LYS A 61 17.427 -23.677 -12.658 1.00 0.00 H new ATOM 0 HB2 LYS A 61 14.408 -23.684 -13.081 1.00 0.00 H new ATOM 0 HB3 LYS A 61 15.365 -25.132 -12.836 1.00 0.00 H new ATOM 0 HG2 LYS A 61 15.988 -24.423 -10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 61 15.258 -22.848 -10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.737 -25.501 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.826 -24.362 -9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.710 -22.624 -10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 61 12.601 -23.782 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.546 -23.656 -10.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.234 -25.199 -10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.339 -24.077 -9.500 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 5.464 0.631 -10.519 1.00 0.00 ZN HETATM 906 ZN ZN A 102 15.487 -6.777 -10.040 1.00 0.00 ZN