USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 440 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 Set 1.1: A 24 ASN : amide:sc= -2.81! C(o=-3.2!,f=-21!) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.386 K(o=-3.2,f=-16!) USER MOD Single : A 1 ARG N :NH3+ 136:sc= 0.0771 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -5:sc= 0.825 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -7:sc= 0.791 USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= -0.0098 (180deg=-0.159) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= -3.81! USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= 0.743 (180deg=0.74) USER MOD Single : A 43 ASN : amide:sc= -0.947! C(o=-0.95!,f=-13!) USER MOD Single : A 44 ASN : amide:sc= -13.6! C(o=-14!,f=-27!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= -0.0747 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.925 -5.685 3.881 1.00 0.00 N ATOM 2 CA ARG A 1 12.555 -5.094 3.949 1.00 0.00 C ATOM 3 C ARG A 1 11.526 -6.182 4.277 1.00 0.00 C ATOM 4 O ARG A 1 11.781 -7.354 4.087 1.00 0.00 O ATOM 5 CB ARG A 1 12.295 -4.521 2.552 1.00 0.00 C ATOM 6 CG ARG A 1 12.750 -3.060 2.501 1.00 0.00 C ATOM 7 CD ARG A 1 13.007 -2.653 1.043 1.00 0.00 C ATOM 8 NE ARG A 1 13.263 -1.186 1.088 1.00 0.00 N ATOM 9 CZ ARG A 1 14.139 -0.697 1.923 1.00 0.00 C ATOM 10 NH1 ARG A 1 15.401 -1.015 1.807 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.755 0.110 2.873 1.00 0.00 N ATOM 0 H1 ARG A 1 14.425 -5.307 3.051 1.00 0.00 H new ATOM 0 H2 ARG A 1 14.452 -5.441 4.744 1.00 0.00 H new ATOM 0 H3 ARG A 1 13.853 -6.719 3.800 1.00 0.00 H new ATOM 0 HA ARG A 1 12.475 -4.332 4.724 1.00 0.00 H new ATOM 0 HB2 ARG A 1 12.830 -5.105 1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 1 11.234 -4.590 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.989 -2.416 2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 1 13.657 -2.930 3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 1 13.861 -3.189 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.149 -2.884 0.412 1.00 0.00 H new ATOM 0 HE ARG A 1 12.752 -0.562 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 1 15.702 -1.645 1.064 1.00 0.00 H new ATOM 0 HH12 ARG A 1 16.085 -0.633 2.460 1.00 0.00 H new ATOM 0 HH21 ARG A 1 12.770 0.359 2.964 1.00 0.00 H new ATOM 0 HH22 ARG A 1 14.440 0.492 3.525 1.00 0.00 H new ATOM 27 N PRO A 2 10.388 -5.751 4.750 1.00 0.00 N ATOM 28 CA PRO A 2 9.296 -6.694 5.097 1.00 0.00 C ATOM 29 C PRO A 2 8.706 -7.321 3.841 1.00 0.00 C ATOM 30 O PRO A 2 8.681 -6.719 2.788 1.00 0.00 O ATOM 31 CB PRO A 2 8.263 -5.819 5.796 1.00 0.00 C ATOM 32 CG PRO A 2 8.534 -4.434 5.303 1.00 0.00 C ATOM 33 CD PRO A 2 10.009 -4.356 5.002 1.00 0.00 C ATOM 0 HA PRO A 2 9.638 -7.521 5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.248 -6.134 5.552 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.363 -5.879 6.880 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.946 -4.220 4.410 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.254 -3.695 6.054 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.208 -3.725 4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.566 -3.935 5.839 1.00 0.00 H new ATOM 41 N ASP A 3 8.227 -8.526 3.946 1.00 0.00 N ATOM 42 CA ASP A 3 7.635 -9.189 2.757 1.00 0.00 C ATOM 43 C ASP A 3 6.352 -8.471 2.338 1.00 0.00 C ATOM 44 O ASP A 3 6.011 -8.428 1.172 1.00 0.00 O ATOM 45 CB ASP A 3 7.325 -10.616 3.211 1.00 0.00 C ATOM 46 CG ASP A 3 8.460 -11.546 2.777 1.00 0.00 C ATOM 47 OD1 ASP A 3 8.801 -11.526 1.607 1.00 0.00 O ATOM 48 OD2 ASP A 3 8.970 -12.261 3.625 1.00 0.00 O ATOM 0 H ASP A 3 8.220 -9.079 4.803 1.00 0.00 H new ATOM 0 HA ASP A 3 8.306 -9.171 1.898 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.209 -10.647 4.294 1.00 0.00 H new ATOM 0 HB3 ASP A 3 6.381 -10.950 2.779 1.00 0.00 H new ATOM 53 N PHE A 4 5.630 -7.903 3.271 1.00 0.00 N ATOM 54 CA PHE A 4 4.371 -7.197 2.884 1.00 0.00 C ATOM 55 C PHE A 4 4.690 -5.936 2.080 1.00 0.00 C ATOM 56 O PHE A 4 3.875 -5.444 1.326 1.00 0.00 O ATOM 57 CB PHE A 4 3.633 -6.879 4.191 1.00 0.00 C ATOM 58 CG PHE A 4 4.331 -5.791 4.975 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.266 -4.452 4.560 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.022 -6.126 6.141 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.898 -3.460 5.312 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.648 -5.131 6.893 1.00 0.00 C ATOM 63 CZ PHE A 4 5.588 -3.796 6.477 1.00 0.00 C ATOM 0 H PHE A 4 5.852 -7.897 4.266 1.00 0.00 H new ATOM 0 HA PHE A 4 3.743 -7.813 2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.612 -6.569 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.566 -7.781 4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.728 -4.190 3.661 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.072 -7.156 6.461 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.853 -2.430 4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.179 -5.391 7.797 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.075 -3.027 7.057 1.00 0.00 H new ATOM 73 N CYS A 5 5.876 -5.423 2.221 1.00 0.00 N ATOM 74 CA CYS A 5 6.260 -4.207 1.458 1.00 0.00 C ATOM 75 C CYS A 5 6.701 -4.598 0.047 1.00 0.00 C ATOM 76 O CYS A 5 6.635 -3.811 -0.877 1.00 0.00 O ATOM 77 CB CYS A 5 7.426 -3.613 2.246 1.00 0.00 C ATOM 78 SG CYS A 5 8.297 -2.402 1.227 1.00 0.00 S ATOM 0 H CYS A 5 6.600 -5.795 2.835 1.00 0.00 H new ATOM 0 HA CYS A 5 5.439 -3.498 1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.058 -3.139 3.156 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.111 -4.404 2.553 1.00 0.00 H new ATOM 83 N LEU A 6 7.148 -5.810 -0.127 1.00 0.00 N ATOM 84 CA LEU A 6 7.588 -6.253 -1.481 1.00 0.00 C ATOM 85 C LEU A 6 6.409 -6.875 -2.224 1.00 0.00 C ATOM 86 O LEU A 6 6.442 -7.064 -3.423 1.00 0.00 O ATOM 87 CB LEU A 6 8.678 -7.295 -1.227 1.00 0.00 C ATOM 88 CG LEU A 6 9.661 -6.759 -0.189 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.819 -7.743 -0.026 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.206 -5.405 -0.651 1.00 0.00 C ATOM 0 H LEU A 6 7.228 -6.513 0.608 1.00 0.00 H new ATOM 0 HA LEU A 6 7.957 -5.429 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.232 -8.225 -0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.201 -7.524 -2.155 1.00 0.00 H new ATOM 0 HG LEU A 6 9.149 -6.638 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.520 -7.360 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.433 -8.707 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.330 -7.864 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.908 -5.023 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.717 -5.525 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.382 -4.701 -0.767 1.00 0.00 H new ATOM 102 N GLU A 7 5.360 -7.188 -1.515 1.00 0.00 N ATOM 103 CA GLU A 7 4.165 -7.791 -2.173 1.00 0.00 C ATOM 104 C GLU A 7 3.362 -6.698 -2.881 1.00 0.00 C ATOM 105 O GLU A 7 3.448 -5.542 -2.523 1.00 0.00 O ATOM 106 CB GLU A 7 3.351 -8.400 -1.031 1.00 0.00 C ATOM 107 CG GLU A 7 3.467 -9.924 -1.075 1.00 0.00 C ATOM 108 CD GLU A 7 3.827 -10.450 0.317 1.00 0.00 C ATOM 109 OE1 GLU A 7 3.077 -10.182 1.242 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.844 -11.112 0.433 1.00 0.00 O ATOM 0 H GLU A 7 5.278 -7.052 -0.507 1.00 0.00 H new ATOM 0 HA GLU A 7 4.430 -8.536 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.712 -8.025 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.306 -8.102 -1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.526 -10.361 -1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.229 -10.221 -1.796 1.00 0.00 H new ATOM 117 N PRO A 8 2.598 -7.099 -3.858 1.00 0.00 N ATOM 118 CA PRO A 8 1.768 -6.128 -4.614 1.00 0.00 C ATOM 119 C PRO A 8 0.659 -5.575 -3.717 1.00 0.00 C ATOM 120 O PRO A 8 0.366 -6.134 -2.680 1.00 0.00 O ATOM 121 CB PRO A 8 1.194 -6.964 -5.757 1.00 0.00 C ATOM 122 CG PRO A 8 1.226 -8.370 -5.252 1.00 0.00 C ATOM 123 CD PRO A 8 2.424 -8.471 -4.345 1.00 0.00 C ATOM 0 HA PRO A 8 2.326 -5.263 -4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.178 -6.654 -6.003 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.788 -6.855 -6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.310 -8.609 -4.713 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.304 -9.077 -6.078 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.250 -9.169 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.306 -8.822 -4.881 1.00 0.00 H new ATOM 131 N PRO A 9 0.078 -4.488 -4.147 1.00 0.00 N ATOM 132 CA PRO A 9 -1.010 -3.855 -3.366 1.00 0.00 C ATOM 133 C PRO A 9 -2.246 -4.755 -3.359 1.00 0.00 C ATOM 134 O PRO A 9 -2.222 -5.857 -3.870 1.00 0.00 O ATOM 135 CB PRO A 9 -1.265 -2.541 -4.102 1.00 0.00 C ATOM 136 CG PRO A 9 -0.778 -2.781 -5.493 1.00 0.00 C ATOM 137 CD PRO A 9 0.364 -3.759 -5.387 1.00 0.00 C ATOM 0 HA PRO A 9 -0.759 -3.693 -2.318 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.324 -2.282 -4.093 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.731 -1.715 -3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.575 -3.183 -6.119 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.449 -1.850 -5.954 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.400 -4.428 -6.247 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.326 -3.249 -5.340 1.00 0.00 H new ATOM 145 N TYR A 10 -3.320 -4.308 -2.771 1.00 0.00 N ATOM 146 CA TYR A 10 -4.545 -5.158 -2.725 1.00 0.00 C ATOM 147 C TYR A 10 -5.804 -4.300 -2.796 1.00 0.00 C ATOM 148 O TYR A 10 -6.315 -3.843 -1.793 1.00 0.00 O ATOM 149 CB TYR A 10 -4.462 -5.873 -1.375 1.00 0.00 C ATOM 150 CG TYR A 10 -5.503 -6.961 -1.310 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.405 -8.076 -2.151 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.569 -6.856 -0.407 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.372 -9.085 -2.090 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.537 -7.865 -0.348 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.438 -8.981 -1.188 1.00 0.00 C ATOM 156 OH TYR A 10 -8.394 -9.974 -1.131 1.00 0.00 O ATOM 0 H TYR A 10 -3.404 -3.396 -2.322 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.597 -5.851 -3.564 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.468 -6.299 -1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.617 -5.160 -0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.583 -8.157 -2.847 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.644 -5.997 0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.296 -9.945 -2.739 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.361 -7.783 0.346 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.062 -9.746 -0.451 1.00 0.00 H new ATOM 166 N THR A 11 -6.326 -4.107 -3.972 1.00 0.00 N ATOM 167 CA THR A 11 -7.573 -3.312 -4.098 1.00 0.00 C ATOM 168 C THR A 11 -8.663 -4.015 -3.295 1.00 0.00 C ATOM 169 O THR A 11 -9.637 -3.420 -2.885 1.00 0.00 O ATOM 170 CB THR A 11 -7.901 -3.299 -5.596 1.00 0.00 C ATOM 171 OG1 THR A 11 -7.173 -2.252 -6.224 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.400 -3.067 -5.802 1.00 0.00 C ATOM 0 H THR A 11 -5.944 -4.464 -4.848 1.00 0.00 H new ATOM 0 HA THR A 11 -7.482 -2.293 -3.721 1.00 0.00 H new ATOM 0 HB THR A 11 -7.625 -4.259 -6.033 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.701 -1.728 -5.544 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.624 -3.059 -6.869 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.962 -3.867 -5.319 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.683 -2.110 -5.365 1.00 0.00 H new ATOM 180 N GLY A 12 -8.494 -5.291 -3.071 1.00 0.00 N ATOM 181 CA GLY A 12 -9.512 -6.055 -2.294 1.00 0.00 C ATOM 182 C GLY A 12 -10.847 -6.028 -3.037 1.00 0.00 C ATOM 183 O GLY A 12 -11.006 -5.310 -4.005 1.00 0.00 O ATOM 0 H GLY A 12 -7.695 -5.837 -3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.182 -7.084 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.628 -5.621 -1.301 1.00 0.00 H new ATOM 187 N PRO A 13 -11.767 -6.819 -2.557 1.00 0.00 N ATOM 188 CA PRO A 13 -13.107 -6.890 -3.182 1.00 0.00 C ATOM 189 C PRO A 13 -13.921 -5.641 -2.819 1.00 0.00 C ATOM 190 O PRO A 13 -13.795 -4.610 -3.449 1.00 0.00 O ATOM 191 CB PRO A 13 -13.716 -8.153 -2.576 1.00 0.00 C ATOM 192 CG PRO A 13 -13.009 -8.341 -1.270 1.00 0.00 C ATOM 193 CD PRO A 13 -11.645 -7.710 -1.398 1.00 0.00 C ATOM 0 HA PRO A 13 -13.082 -6.926 -4.271 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.790 -8.041 -2.430 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.571 -9.013 -3.230 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.571 -7.877 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.920 -9.401 -1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.376 -7.158 -0.498 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.871 -8.462 -1.554 1.00 0.00 H new ATOM 201 N CYS A 14 -14.745 -5.719 -1.803 1.00 0.00 N ATOM 202 CA CYS A 14 -15.557 -4.530 -1.400 1.00 0.00 C ATOM 203 C CYS A 14 -16.059 -3.778 -2.637 1.00 0.00 C ATOM 204 O CYS A 14 -16.099 -4.314 -3.725 1.00 0.00 O ATOM 205 CB CYS A 14 -14.601 -3.658 -0.586 1.00 0.00 C ATOM 206 SG CYS A 14 -14.815 -4.019 1.175 1.00 0.00 S ATOM 0 H CYS A 14 -14.890 -6.554 -1.236 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.441 -4.810 -0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.571 -3.850 -0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.798 -2.604 -0.779 1.00 0.00 H new ATOM 211 N LYS A 15 -16.446 -2.540 -2.479 1.00 0.00 N ATOM 212 CA LYS A 15 -16.947 -1.763 -3.653 1.00 0.00 C ATOM 213 C LYS A 15 -16.466 -0.311 -3.572 1.00 0.00 C ATOM 214 O LYS A 15 -17.235 0.615 -3.729 1.00 0.00 O ATOM 215 CB LYS A 15 -18.484 -1.817 -3.580 1.00 0.00 C ATOM 216 CG LYS A 15 -18.951 -2.024 -2.134 1.00 0.00 C ATOM 217 CD LYS A 15 -20.474 -2.178 -2.101 1.00 0.00 C ATOM 218 CE LYS A 15 -21.110 -0.874 -1.609 1.00 0.00 C ATOM 219 NZ LYS A 15 -22.243 -1.299 -0.739 1.00 0.00 N ATOM 0 H LYS A 15 -16.438 -2.034 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.578 -2.179 -4.590 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.904 -0.892 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.855 -2.628 -4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.477 -2.910 -1.712 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.648 -1.177 -1.519 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.847 -2.424 -3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.753 -3.001 -1.443 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.392 -0.270 -1.054 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -21.460 -0.267 -2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.727 -0.458 -0.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.914 -1.866 -1.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -21.879 -1.869 0.051 1.00 0.00 H new ATOM 233 N ALA A 16 -15.199 -0.105 -3.331 1.00 0.00 N ATOM 234 CA ALA A 16 -14.681 1.290 -3.243 1.00 0.00 C ATOM 235 C ALA A 16 -13.346 1.409 -3.986 1.00 0.00 C ATOM 236 O ALA A 16 -12.841 0.451 -4.535 1.00 0.00 O ATOM 237 CB ALA A 16 -14.487 1.548 -1.748 1.00 0.00 C ATOM 0 H ALA A 16 -14.504 -0.838 -3.192 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.361 2.011 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.106 2.558 -1.600 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.442 1.441 -1.233 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.774 0.829 -1.344 1.00 0.00 H new ATOM 243 N ARG A 17 -12.774 2.581 -4.000 1.00 0.00 N ATOM 244 CA ARG A 17 -11.471 2.772 -4.700 1.00 0.00 C ATOM 245 C ARG A 17 -10.711 3.935 -4.060 1.00 0.00 C ATOM 246 O ARG A 17 -10.563 4.991 -4.643 1.00 0.00 O ATOM 247 CB ARG A 17 -11.835 3.094 -6.150 1.00 0.00 C ATOM 248 CG ARG A 17 -12.967 4.124 -6.179 1.00 0.00 C ATOM 249 CD ARG A 17 -13.088 4.714 -7.587 1.00 0.00 C ATOM 250 NE ARG A 17 -13.551 3.586 -8.442 1.00 0.00 N ATOM 251 CZ ARG A 17 -14.468 3.788 -9.349 1.00 0.00 C ATOM 252 NH1 ARG A 17 -15.710 3.974 -8.991 1.00 0.00 N ATOM 253 NH2 ARG A 17 -14.145 3.805 -10.613 1.00 0.00 N ATOM 0 H ARG A 17 -13.153 3.417 -3.556 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.830 1.893 -4.637 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.963 3.482 -6.677 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.143 2.186 -6.669 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.907 3.655 -5.888 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.770 4.917 -5.457 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.797 5.541 -7.608 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.132 5.105 -7.934 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.152 2.656 -8.319 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.963 3.961 -8.003 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.427 4.132 -9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.175 3.660 -10.894 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.862 3.963 -11.321 1.00 0.00 H new ATOM 267 N ILE A 18 -10.237 3.749 -2.860 1.00 0.00 N ATOM 268 CA ILE A 18 -9.495 4.841 -2.169 1.00 0.00 C ATOM 269 C ILE A 18 -8.046 4.904 -2.663 1.00 0.00 C ATOM 270 O ILE A 18 -7.513 3.943 -3.181 1.00 0.00 O ATOM 271 CB ILE A 18 -9.544 4.468 -0.688 1.00 0.00 C ATOM 272 CG1 ILE A 18 -11.003 4.436 -0.227 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.773 5.505 0.128 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.102 3.703 1.112 1.00 0.00 C ATOM 0 H ILE A 18 -10.332 2.885 -2.326 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.931 5.822 -2.361 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.091 3.487 -0.542 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.385 5.452 -0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.620 3.936 -0.973 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.809 5.237 1.184 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.735 5.531 -0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.224 6.487 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.142 3.681 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.737 2.683 0.996 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.498 4.222 1.857 1.00 0.00 H new ATOM 286 N ILE A 19 -7.408 6.032 -2.507 1.00 0.00 N ATOM 287 CA ILE A 19 -5.995 6.163 -2.968 1.00 0.00 C ATOM 288 C ILE A 19 -5.031 5.808 -1.833 1.00 0.00 C ATOM 289 O ILE A 19 -4.472 6.674 -1.189 1.00 0.00 O ATOM 290 CB ILE A 19 -5.841 7.633 -3.359 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.859 7.984 -4.446 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.426 7.875 -3.889 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.720 7.008 -5.614 1.00 0.00 C ATOM 0 H ILE A 19 -7.804 6.869 -2.080 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.769 5.493 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.014 8.260 -2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.870 7.939 -4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.699 9.005 -4.792 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.316 8.923 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.700 7.628 -3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.252 7.247 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.446 7.260 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.713 7.075 -6.026 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.902 5.992 -5.263 1.00 0.00 H new ATOM 305 N ARG A 20 -4.828 4.543 -1.583 1.00 0.00 N ATOM 306 CA ARG A 20 -3.894 4.146 -0.490 1.00 0.00 C ATOM 307 C ARG A 20 -2.456 4.118 -1.013 1.00 0.00 C ATOM 308 O ARG A 20 -2.211 4.283 -2.191 1.00 0.00 O ATOM 309 CB ARG A 20 -4.341 2.747 -0.065 1.00 0.00 C ATOM 310 CG ARG A 20 -5.496 2.857 0.935 1.00 0.00 C ATOM 311 CD ARG A 20 -4.992 3.473 2.245 1.00 0.00 C ATOM 312 NE ARG A 20 -6.178 4.163 2.825 1.00 0.00 N ATOM 313 CZ ARG A 20 -7.036 3.491 3.544 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.619 2.753 4.537 1.00 0.00 N ATOM 315 NH2 ARG A 20 -8.310 3.558 3.272 1.00 0.00 N ATOM 0 H ARG A 20 -5.266 3.771 -2.085 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.916 4.846 0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.656 2.174 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.507 2.209 0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.294 3.471 0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.919 1.871 1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.611 2.707 2.921 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.177 4.173 2.064 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.320 5.160 2.661 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.623 2.701 4.751 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.289 2.228 5.099 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.636 4.136 2.497 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.980 3.033 3.834 1.00 0.00 H new ATOM 329 N TYR A 21 -1.503 3.920 -0.145 1.00 0.00 N ATOM 330 CA TYR A 21 -0.079 3.895 -0.588 1.00 0.00 C ATOM 331 C TYR A 21 0.518 2.496 -0.430 1.00 0.00 C ATOM 332 O TYR A 21 0.218 1.781 0.506 1.00 0.00 O ATOM 333 CB TYR A 21 0.637 4.869 0.345 1.00 0.00 C ATOM 334 CG TYR A 21 0.684 6.242 -0.276 1.00 0.00 C ATOM 335 CD1 TYR A 21 1.694 6.564 -1.189 1.00 0.00 C ATOM 336 CD2 TYR A 21 -0.278 7.198 0.071 1.00 0.00 C ATOM 337 CE1 TYR A 21 1.743 7.843 -1.755 1.00 0.00 C ATOM 338 CE2 TYR A 21 -0.230 8.476 -0.496 1.00 0.00 C ATOM 339 CZ TYR A 21 0.781 8.799 -1.410 1.00 0.00 C ATOM 340 OH TYR A 21 0.830 10.060 -1.966 1.00 0.00 O ATOM 0 H TYR A 21 -1.648 3.774 0.854 1.00 0.00 H new ATOM 0 HA TYR A 21 0.020 4.166 -1.639 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.120 4.913 1.304 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.649 4.517 0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.436 5.826 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.057 6.949 0.776 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.524 8.092 -2.458 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.972 9.214 -0.229 1.00 0.00 H new ATOM 0 HH TYR A 21 0.088 10.599 -1.620 1.00 0.00 H new ATOM 350 N PHE A 22 1.384 2.115 -1.330 1.00 0.00 N ATOM 351 CA PHE A 22 2.036 0.777 -1.233 1.00 0.00 C ATOM 352 C PHE A 22 3.484 0.886 -1.721 1.00 0.00 C ATOM 353 O PHE A 22 3.858 1.845 -2.364 1.00 0.00 O ATOM 354 CB PHE A 22 1.205 -0.153 -2.125 1.00 0.00 C ATOM 355 CG PHE A 22 1.651 -0.050 -3.566 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.073 0.904 -4.413 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.640 -0.913 -4.054 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.486 0.996 -5.748 1.00 0.00 C ATOM 359 CE2 PHE A 22 3.054 -0.822 -5.388 1.00 0.00 C ATOM 360 CZ PHE A 22 2.478 0.133 -6.235 1.00 0.00 C ATOM 0 H PHE A 22 1.669 2.676 -2.133 1.00 0.00 H new ATOM 0 HA PHE A 22 2.072 0.395 -0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.306 -1.182 -1.780 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.149 0.107 -2.046 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.309 1.568 -4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.084 -1.649 -3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.041 1.731 -6.402 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.817 -1.488 -5.764 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.798 0.205 -7.264 1.00 0.00 H new ATOM 370 N TYR A 23 4.304 -0.078 -1.414 1.00 0.00 N ATOM 371 CA TYR A 23 5.734 -0.001 -1.856 1.00 0.00 C ATOM 372 C TYR A 23 5.952 -0.788 -3.153 1.00 0.00 C ATOM 373 O TYR A 23 5.740 -1.983 -3.210 1.00 0.00 O ATOM 374 CB TYR A 23 6.548 -0.626 -0.721 1.00 0.00 C ATOM 375 CG TYR A 23 8.019 -0.488 -1.036 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.673 0.729 -0.806 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.728 -1.574 -1.566 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.034 0.859 -1.103 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.090 -1.443 -1.863 1.00 0.00 C ATOM 380 CZ TYR A 23 10.743 -0.226 -1.633 1.00 0.00 C ATOM 381 OH TYR A 23 12.086 -0.097 -1.926 1.00 0.00 O ATOM 0 H TYR A 23 4.055 -0.911 -0.881 1.00 0.00 H new ATOM 0 HA TYR A 23 6.030 1.028 -2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.317 -0.133 0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.285 -1.677 -0.604 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.127 1.567 -0.399 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.224 -2.512 -1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.538 1.797 -0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.637 -2.281 -2.270 1.00 0.00 H new ATOM 0 HH TYR A 23 12.357 0.838 -1.812 1.00 0.00 H new ATOM 391 N ASN A 24 6.393 -0.130 -4.192 1.00 0.00 N ATOM 392 CA ASN A 24 6.642 -0.843 -5.477 1.00 0.00 C ATOM 393 C ASN A 24 8.083 -1.354 -5.513 1.00 0.00 C ATOM 394 O ASN A 24 8.985 -0.656 -5.927 1.00 0.00 O ATOM 395 CB ASN A 24 6.428 0.211 -6.563 1.00 0.00 C ATOM 396 CG ASN A 24 6.666 -0.418 -7.938 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.339 -1.423 -8.051 1.00 0.00 O ATOM 398 ND2 ASN A 24 6.140 0.136 -8.996 1.00 0.00 N ATOM 0 H ASN A 24 6.591 0.870 -4.206 1.00 0.00 H new ATOM 0 HA ASN A 24 5.986 -1.704 -5.609 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.415 0.609 -6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.109 1.048 -6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.294 -0.275 -9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.575 0.980 -8.902 1.00 0.00 H new ATOM 405 N ALA A 25 8.311 -2.563 -5.080 1.00 0.00 N ATOM 406 CA ALA A 25 9.701 -3.099 -5.096 1.00 0.00 C ATOM 407 C ALA A 25 10.355 -2.798 -6.445 1.00 0.00 C ATOM 408 O ALA A 25 11.559 -2.666 -6.546 1.00 0.00 O ATOM 409 CB ALA A 25 9.554 -4.607 -4.888 1.00 0.00 C ATOM 0 H ALA A 25 7.601 -3.199 -4.718 1.00 0.00 H new ATOM 0 HA ALA A 25 10.330 -2.650 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.540 -5.072 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.064 -4.796 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.954 -5.029 -5.694 1.00 0.00 H new ATOM 415 N LYS A 26 9.570 -2.676 -7.480 1.00 0.00 N ATOM 416 CA LYS A 26 10.149 -2.371 -8.817 1.00 0.00 C ATOM 417 C LYS A 26 10.551 -0.896 -8.880 1.00 0.00 C ATOM 418 O LYS A 26 11.421 -0.510 -9.637 1.00 0.00 O ATOM 419 CB LYS A 26 9.030 -2.668 -9.817 1.00 0.00 C ATOM 420 CG LYS A 26 9.641 -3.073 -11.159 1.00 0.00 C ATOM 421 CD LYS A 26 10.220 -1.837 -11.850 1.00 0.00 C ATOM 422 CE LYS A 26 10.279 -2.078 -13.361 1.00 0.00 C ATOM 423 NZ LYS A 26 8.897 -1.808 -13.850 1.00 0.00 N ATOM 0 H LYS A 26 8.555 -2.774 -7.457 1.00 0.00 H new ATOM 0 HA LYS A 26 11.042 -2.959 -9.029 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.393 -3.468 -9.439 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.398 -1.789 -9.943 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.423 -3.816 -11.005 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.883 -3.535 -11.791 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.604 -0.964 -11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.218 -1.626 -11.465 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.002 -1.417 -13.838 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.584 -3.100 -13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.661 -2.478 -14.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.223 -1.922 -13.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.842 -0.836 -14.216 1.00 0.00 H new ATOM 437 N ALA A 27 9.930 -0.069 -8.081 1.00 0.00 N ATOM 438 CA ALA A 27 10.282 1.379 -8.086 1.00 0.00 C ATOM 439 C ALA A 27 11.320 1.662 -6.999 1.00 0.00 C ATOM 440 O ALA A 27 12.205 2.478 -7.166 1.00 0.00 O ATOM 441 CB ALA A 27 8.971 2.108 -7.785 1.00 0.00 C ATOM 0 H ALA A 27 9.195 -0.335 -7.426 1.00 0.00 H new ATOM 0 HA ALA A 27 10.713 1.702 -9.034 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.148 3.184 -7.771 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.237 1.870 -8.555 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.593 1.790 -6.813 1.00 0.00 H new ATOM 447 N GLY A 28 11.218 0.990 -5.886 1.00 0.00 N ATOM 448 CA GLY A 28 12.202 1.213 -4.789 1.00 0.00 C ATOM 449 C GLY A 28 11.626 2.196 -3.768 1.00 0.00 C ATOM 450 O GLY A 28 12.184 2.397 -2.708 1.00 0.00 O ATOM 0 H GLY A 28 10.497 0.297 -5.688 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.439 0.267 -4.303 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.134 1.604 -5.198 1.00 0.00 H new ATOM 454 N LEU A 29 10.513 2.809 -4.070 1.00 0.00 N ATOM 455 CA LEU A 29 9.912 3.772 -3.108 1.00 0.00 C ATOM 456 C LEU A 29 8.463 3.380 -2.827 1.00 0.00 C ATOM 457 O LEU A 29 8.114 2.216 -2.826 1.00 0.00 O ATOM 458 CB LEU A 29 9.968 5.136 -3.806 1.00 0.00 C ATOM 459 CG LEU A 29 11.303 5.293 -4.539 1.00 0.00 C ATOM 460 CD1 LEU A 29 11.102 5.020 -6.029 1.00 0.00 C ATOM 461 CD2 LEU A 29 11.821 6.720 -4.350 1.00 0.00 C ATOM 0 H LEU A 29 9.996 2.684 -4.940 1.00 0.00 H new ATOM 0 HA LEU A 29 10.440 3.787 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.143 5.227 -4.512 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.850 5.934 -3.073 1.00 0.00 H new ATOM 0 HG LEU A 29 12.026 4.585 -4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.052 5.132 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.730 4.005 -6.166 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.380 5.729 -6.435 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.772 6.834 -4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.097 7.427 -4.756 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.964 6.918 -3.288 1.00 0.00 H new ATOM 473 N CYS A 30 7.619 4.343 -2.602 1.00 0.00 N ATOM 474 CA CYS A 30 6.187 4.036 -2.328 1.00 0.00 C ATOM 475 C CYS A 30 5.294 4.744 -3.345 1.00 0.00 C ATOM 476 O CYS A 30 5.613 5.811 -3.832 1.00 0.00 O ATOM 477 CB CYS A 30 5.919 4.574 -0.921 1.00 0.00 C ATOM 478 SG CYS A 30 6.888 3.637 0.287 1.00 0.00 S ATOM 0 H CYS A 30 7.858 5.335 -2.595 1.00 0.00 H new ATOM 0 HA CYS A 30 5.977 2.969 -2.401 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.180 5.631 -0.870 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.857 4.497 -0.688 1.00 0.00 H new ATOM 483 N GLN A 31 4.175 4.160 -3.665 1.00 0.00 N ATOM 484 CA GLN A 31 3.254 4.798 -4.647 1.00 0.00 C ATOM 485 C GLN A 31 1.806 4.634 -4.185 1.00 0.00 C ATOM 486 O GLN A 31 1.536 4.030 -3.167 1.00 0.00 O ATOM 487 CB GLN A 31 3.492 4.049 -5.959 1.00 0.00 C ATOM 488 CG GLN A 31 4.922 4.305 -6.438 1.00 0.00 C ATOM 489 CD GLN A 31 5.231 3.399 -7.630 1.00 0.00 C ATOM 490 OE1 GLN A 31 4.662 2.333 -7.764 1.00 0.00 O ATOM 491 NE2 GLN A 31 6.114 3.781 -8.512 1.00 0.00 N ATOM 0 H GLN A 31 3.857 3.267 -3.289 1.00 0.00 H new ATOM 0 HA GLN A 31 3.435 5.867 -4.755 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.331 2.981 -5.815 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.779 4.380 -6.714 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.040 5.351 -6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.627 4.113 -5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.592 4.675 -8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.326 3.185 -9.312 1.00 0.00 H new ATOM 500 N THR A 32 0.871 5.169 -4.919 1.00 0.00 N ATOM 501 CA THR A 32 -0.554 5.041 -4.503 1.00 0.00 C ATOM 502 C THR A 32 -1.283 4.015 -5.372 1.00 0.00 C ATOM 503 O THR A 32 -0.990 3.852 -6.540 1.00 0.00 O ATOM 504 CB THR A 32 -1.151 6.433 -4.704 1.00 0.00 C ATOM 505 OG1 THR A 32 -1.179 6.739 -6.092 1.00 0.00 O ATOM 506 CG2 THR A 32 -0.298 7.466 -3.969 1.00 0.00 C ATOM 0 H THR A 32 1.030 5.686 -5.784 1.00 0.00 H new ATOM 0 HA THR A 32 -0.648 4.698 -3.473 1.00 0.00 H new ATOM 0 HB THR A 32 -2.166 6.455 -4.307 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.563 7.631 -6.223 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.724 8.459 -4.113 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.278 7.230 -2.905 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.718 7.447 -4.364 1.00 0.00 H new ATOM 514 N PHE A 33 -2.236 3.329 -4.805 1.00 0.00 N ATOM 515 CA PHE A 33 -3.000 2.315 -5.589 1.00 0.00 C ATOM 516 C PHE A 33 -4.474 2.332 -5.172 1.00 0.00 C ATOM 517 O PHE A 33 -4.831 2.871 -4.143 1.00 0.00 O ATOM 518 CB PHE A 33 -2.348 0.969 -5.258 1.00 0.00 C ATOM 519 CG PHE A 33 -2.791 0.496 -3.891 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.172 0.991 -2.736 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.819 -0.449 -3.781 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.583 0.546 -1.477 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.228 -0.897 -2.519 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.610 -0.398 -1.366 1.00 0.00 C ATOM 0 H PHE A 33 -2.520 3.426 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.974 2.514 -6.660 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.619 0.230 -6.012 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.263 1.066 -5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.377 1.717 -2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.297 -0.832 -4.670 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.107 0.931 -0.587 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.020 -1.627 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.926 -0.741 -0.392 1.00 0.00 H new ATOM 534 N VAL A 34 -5.332 1.753 -5.965 1.00 0.00 N ATOM 535 CA VAL A 34 -6.784 1.742 -5.616 1.00 0.00 C ATOM 536 C VAL A 34 -7.057 0.731 -4.499 1.00 0.00 C ATOM 537 O VAL A 34 -6.971 -0.466 -4.696 1.00 0.00 O ATOM 538 CB VAL A 34 -7.499 1.330 -6.902 1.00 0.00 C ATOM 539 CG1 VAL A 34 -8.993 1.159 -6.623 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.301 2.416 -7.962 1.00 0.00 C ATOM 0 H VAL A 34 -5.093 1.287 -6.840 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.126 2.711 -5.253 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.087 0.387 -7.262 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.503 0.865 -7.540 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.136 0.388 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.406 2.102 -6.264 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.810 2.125 -8.881 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.715 3.357 -7.600 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.237 2.541 -8.161 1.00 0.00 H new ATOM 550 N TYR A 35 -7.385 1.205 -3.327 1.00 0.00 N ATOM 551 CA TYR A 35 -7.660 0.279 -2.188 1.00 0.00 C ATOM 552 C TYR A 35 -9.167 -0.016 -2.091 1.00 0.00 C ATOM 553 O TYR A 35 -9.994 0.829 -2.370 1.00 0.00 O ATOM 554 CB TYR A 35 -7.162 1.039 -0.958 1.00 0.00 C ATOM 555 CG TYR A 35 -7.672 0.379 0.295 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.701 -1.017 0.389 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.121 1.164 1.364 1.00 0.00 C ATOM 558 CE1 TYR A 35 -8.180 -1.628 1.553 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.600 0.552 2.528 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.630 -0.842 2.622 1.00 0.00 C ATOM 561 OH TYR A 35 -9.102 -1.447 3.771 1.00 0.00 O ATOM 0 H TYR A 35 -7.475 2.197 -3.108 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.169 -0.688 -2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.072 1.061 -0.950 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.501 2.074 -0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.354 -1.622 -0.436 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.098 2.241 1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -8.203 -2.705 1.627 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.946 1.157 3.353 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.374 -0.760 4.415 1.00 0.00 H new ATOM 571 N GLY A 36 -9.528 -1.219 -1.716 1.00 0.00 N ATOM 572 CA GLY A 36 -10.976 -1.585 -1.621 1.00 0.00 C ATOM 573 C GLY A 36 -11.605 -1.001 -0.353 1.00 0.00 C ATOM 574 O GLY A 36 -12.755 -1.255 -0.052 1.00 0.00 O ATOM 0 H GLY A 36 -8.879 -1.967 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.507 -1.216 -2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.082 -2.670 -1.618 1.00 0.00 H new ATOM 578 N ALA A 37 -10.869 -0.216 0.388 1.00 0.00 N ATOM 579 CA ALA A 37 -11.428 0.394 1.636 1.00 0.00 C ATOM 580 C ALA A 37 -11.585 -0.655 2.748 1.00 0.00 C ATOM 581 O ALA A 37 -11.988 -0.339 3.849 1.00 0.00 O ATOM 582 CB ALA A 37 -12.796 0.953 1.236 1.00 0.00 C ATOM 0 H ALA A 37 -9.901 0.032 0.184 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.766 1.165 2.031 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.267 1.417 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.669 1.697 0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.427 0.143 0.870 1.00 0.00 H new ATOM 588 N CYS A 38 -11.270 -1.893 2.478 1.00 0.00 N ATOM 589 CA CYS A 38 -11.403 -2.939 3.535 1.00 0.00 C ATOM 590 C CYS A 38 -10.373 -4.050 3.312 1.00 0.00 C ATOM 591 O CYS A 38 -9.661 -4.059 2.328 1.00 0.00 O ATOM 592 CB CYS A 38 -12.822 -3.486 3.381 1.00 0.00 C ATOM 593 SG CYS A 38 -12.945 -4.410 1.831 1.00 0.00 S ATOM 0 H CYS A 38 -10.928 -2.225 1.576 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.229 -2.538 4.534 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.068 -4.133 4.223 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.542 -2.667 3.387 1.00 0.00 H new ATOM 598 N ARG A 39 -10.286 -4.986 4.220 1.00 0.00 N ATOM 599 CA ARG A 39 -9.298 -6.091 4.056 1.00 0.00 C ATOM 600 C ARG A 39 -7.962 -5.524 3.568 1.00 0.00 C ATOM 601 O ARG A 39 -7.415 -5.963 2.575 1.00 0.00 O ATOM 602 CB ARG A 39 -9.908 -7.012 2.998 1.00 0.00 C ATOM 603 CG ARG A 39 -10.995 -7.882 3.636 1.00 0.00 C ATOM 604 CD ARG A 39 -10.914 -9.300 3.065 1.00 0.00 C ATOM 605 NE ARG A 39 -10.979 -10.197 4.251 1.00 0.00 N ATOM 606 CZ ARG A 39 -9.929 -10.891 4.604 1.00 0.00 C ATOM 607 NH1 ARG A 39 -8.878 -10.286 5.084 1.00 0.00 N ATOM 608 NH2 ARG A 39 -9.932 -12.189 4.473 1.00 0.00 N ATOM 0 H ARG A 39 -10.855 -5.033 5.065 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.102 -6.619 4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.332 -6.420 2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.134 -7.643 2.561 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.868 -7.906 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.979 -7.455 3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.736 -9.496 2.377 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.989 -9.449 2.508 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.843 -10.270 4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.875 -9.271 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.059 -10.828 5.359 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.753 -12.662 4.095 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.113 -12.731 4.748 1.00 0.00 H new ATOM 622 N ALA A 40 -7.437 -4.543 4.252 1.00 0.00 N ATOM 623 CA ALA A 40 -6.144 -3.937 3.819 1.00 0.00 C ATOM 624 C ALA A 40 -4.958 -4.637 4.484 1.00 0.00 C ATOM 625 O ALA A 40 -4.996 -4.975 5.648 1.00 0.00 O ATOM 626 CB ALA A 40 -6.214 -2.486 4.288 1.00 0.00 C ATOM 0 H ALA A 40 -7.847 -4.135 5.092 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.001 -4.027 2.742 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.297 -1.968 4.007 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.067 -1.993 3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.329 -2.459 5.372 1.00 0.00 H new ATOM 632 N LYS A 41 -3.896 -4.835 3.752 1.00 0.00 N ATOM 633 CA LYS A 41 -2.696 -5.486 4.344 1.00 0.00 C ATOM 634 C LYS A 41 -1.699 -4.404 4.759 1.00 0.00 C ATOM 635 O LYS A 41 -2.036 -3.239 4.825 1.00 0.00 O ATOM 636 CB LYS A 41 -2.113 -6.358 3.232 1.00 0.00 C ATOM 637 CG LYS A 41 -3.170 -7.357 2.758 1.00 0.00 C ATOM 638 CD LYS A 41 -3.301 -7.279 1.236 1.00 0.00 C ATOM 639 CE LYS A 41 -2.466 -8.390 0.596 1.00 0.00 C ATOM 640 NZ LYS A 41 -3.454 -9.431 0.195 1.00 0.00 N ATOM 0 H LYS A 41 -3.809 -4.574 2.770 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.931 -6.080 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.788 -5.734 2.399 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.233 -6.889 3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.891 -8.367 3.058 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.129 -7.138 3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.346 -7.381 0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.964 -6.305 0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.911 -8.020 -0.266 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.735 -8.789 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.954 -10.242 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.986 -9.745 1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -4.112 -9.033 -0.505 1.00 0.00 H new ATOM 654 N ARG A 42 -0.479 -4.765 5.032 1.00 0.00 N ATOM 655 CA ARG A 42 0.515 -3.730 5.435 1.00 0.00 C ATOM 656 C ARG A 42 0.864 -2.842 4.240 1.00 0.00 C ATOM 657 O ARG A 42 1.063 -1.653 4.380 1.00 0.00 O ATOM 658 CB ARG A 42 1.743 -4.504 5.906 1.00 0.00 C ATOM 659 CG ARG A 42 1.404 -5.274 7.182 1.00 0.00 C ATOM 660 CD ARG A 42 1.816 -6.737 7.014 1.00 0.00 C ATOM 661 NE ARG A 42 2.817 -6.984 8.083 1.00 0.00 N ATOM 662 CZ ARG A 42 2.433 -7.110 9.322 1.00 0.00 C ATOM 663 NH1 ARG A 42 1.816 -8.194 9.707 1.00 0.00 N ATOM 664 NH2 ARG A 42 2.666 -6.154 10.178 1.00 0.00 N ATOM 0 H ARG A 42 -0.127 -5.722 4.995 1.00 0.00 H new ATOM 0 HA ARG A 42 0.130 -3.076 6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.071 -5.194 5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.569 -3.818 6.092 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.922 -4.834 8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.336 -5.206 7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.958 -7.402 7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.242 -6.915 6.027 1.00 0.00 H new ATOM 0 HE ARG A 42 3.807 -7.055 7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.634 -8.942 9.038 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.515 -8.293 10.677 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.149 -5.307 9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.365 -6.253 11.148 1.00 0.00 H new ATOM 678 N ASN A 43 0.935 -3.405 3.064 1.00 0.00 N ATOM 679 CA ASN A 43 1.270 -2.577 1.867 1.00 0.00 C ATOM 680 C ASN A 43 0.050 -1.751 1.446 1.00 0.00 C ATOM 681 O ASN A 43 -0.390 -1.794 0.314 1.00 0.00 O ATOM 682 CB ASN A 43 1.648 -3.580 0.777 1.00 0.00 C ATOM 683 CG ASN A 43 2.773 -2.998 -0.084 1.00 0.00 C ATOM 684 OD1 ASN A 43 3.040 -1.813 -0.041 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.453 -3.788 -0.867 1.00 0.00 N ATOM 0 H ASN A 43 0.777 -4.396 2.880 1.00 0.00 H new ATOM 0 HA ASN A 43 2.080 -1.874 2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.969 -4.519 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.780 -3.804 0.157 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.207 -3.411 -1.441 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.231 -4.783 -0.905 1.00 0.00 H new ATOM 692 N ASN A 44 -0.492 -0.996 2.360 1.00 0.00 N ATOM 693 CA ASN A 44 -1.682 -0.149 2.055 1.00 0.00 C ATOM 694 C ASN A 44 -1.703 1.010 3.052 1.00 0.00 C ATOM 695 O ASN A 44 -2.539 1.080 3.931 1.00 0.00 O ATOM 696 CB ASN A 44 -2.887 -1.079 2.252 1.00 0.00 C ATOM 697 CG ASN A 44 -4.197 -0.296 2.096 1.00 0.00 C ATOM 698 OD1 ASN A 44 -4.184 0.910 1.978 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.337 -0.946 2.087 1.00 0.00 N ATOM 0 H ASN A 44 -0.156 -0.928 3.321 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.681 0.275 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.852 -1.890 1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.844 -1.536 3.241 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.214 -0.436 1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.346 -1.961 2.186 1.00 0.00 H new ATOM 706 N PHE A 45 -0.764 1.909 2.930 1.00 0.00 N ATOM 707 CA PHE A 45 -0.692 3.059 3.877 1.00 0.00 C ATOM 708 C PHE A 45 -1.518 4.234 3.347 1.00 0.00 C ATOM 709 O PHE A 45 -1.914 4.258 2.203 1.00 0.00 O ATOM 710 CB PHE A 45 0.801 3.417 3.946 1.00 0.00 C ATOM 711 CG PHE A 45 1.631 2.152 4.068 1.00 0.00 C ATOM 712 CD1 PHE A 45 1.941 1.630 5.333 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.089 1.499 2.915 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.706 0.458 5.441 1.00 0.00 C ATOM 715 CE2 PHE A 45 2.852 0.327 3.024 1.00 0.00 C ATOM 716 CZ PHE A 45 3.161 -0.194 4.285 1.00 0.00 C ATOM 0 H PHE A 45 -0.040 1.896 2.212 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.095 2.818 4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.093 3.969 3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.988 4.069 4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.591 2.130 6.224 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.854 1.900 1.940 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.945 0.058 6.415 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.201 -0.174 2.133 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.749 -1.096 4.368 1.00 0.00 H new ATOM 726 N LYS A 46 -1.788 5.207 4.173 1.00 0.00 N ATOM 727 CA LYS A 46 -2.596 6.372 3.709 1.00 0.00 C ATOM 728 C LYS A 46 -1.678 7.479 3.192 1.00 0.00 C ATOM 729 O LYS A 46 -2.124 8.451 2.615 1.00 0.00 O ATOM 730 CB LYS A 46 -3.358 6.844 4.946 1.00 0.00 C ATOM 731 CG LYS A 46 -4.131 5.669 5.545 1.00 0.00 C ATOM 732 CD LYS A 46 -5.012 6.168 6.691 1.00 0.00 C ATOM 733 CE LYS A 46 -4.922 5.193 7.867 1.00 0.00 C ATOM 734 NZ LYS A 46 -6.334 4.822 8.165 1.00 0.00 N ATOM 0 H LYS A 46 -1.486 5.247 5.146 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.268 6.109 2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.664 7.250 5.682 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.045 7.647 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.746 5.196 4.779 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.437 4.911 5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.692 7.162 7.004 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.046 6.257 6.357 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.329 4.316 7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.445 5.657 8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -6.357 4.154 8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.872 5.676 8.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.760 4.376 7.327 1.00 0.00 H new ATOM 748 N SER A 47 -0.399 7.339 3.399 1.00 0.00 N ATOM 749 CA SER A 47 0.547 8.389 2.921 1.00 0.00 C ATOM 750 C SER A 47 1.891 7.770 2.542 1.00 0.00 C ATOM 751 O SER A 47 2.270 6.727 3.035 1.00 0.00 O ATOM 752 CB SER A 47 0.714 9.336 4.106 1.00 0.00 C ATOM 753 OG SER A 47 1.341 8.641 5.177 1.00 0.00 O ATOM 0 H SER A 47 0.032 6.547 3.876 1.00 0.00 H new ATOM 0 HA SER A 47 0.175 8.900 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.314 10.198 3.816 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.257 9.716 4.423 1.00 0.00 H new ATOM 0 HG SER A 47 1.452 9.246 5.940 1.00 0.00 H new ATOM 759 N ALA A 48 2.621 8.417 1.677 1.00 0.00 N ATOM 760 CA ALA A 48 3.949 7.877 1.271 1.00 0.00 C ATOM 761 C ALA A 48 4.888 7.863 2.476 1.00 0.00 C ATOM 762 O ALA A 48 5.805 7.070 2.555 1.00 0.00 O ATOM 763 CB ALA A 48 4.462 8.842 0.202 1.00 0.00 C ATOM 0 H ALA A 48 2.356 9.296 1.233 1.00 0.00 H new ATOM 0 HA ALA A 48 3.888 6.856 0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.440 8.511 -0.148 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.764 8.862 -0.635 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.548 9.842 0.626 1.00 0.00 H new ATOM 769 N GLU A 49 4.660 8.736 3.418 1.00 0.00 N ATOM 770 CA GLU A 49 5.531 8.777 4.626 1.00 0.00 C ATOM 771 C GLU A 49 5.238 7.565 5.511 1.00 0.00 C ATOM 772 O GLU A 49 6.115 7.032 6.162 1.00 0.00 O ATOM 773 CB GLU A 49 5.156 10.075 5.341 1.00 0.00 C ATOM 774 CG GLU A 49 5.839 11.254 4.646 1.00 0.00 C ATOM 775 CD GLU A 49 4.952 12.495 4.755 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.858 12.467 4.213 1.00 0.00 O ATOM 777 OE2 GLU A 49 5.381 13.452 5.377 1.00 0.00 O ATOM 0 H GLU A 49 3.907 9.424 3.403 1.00 0.00 H new ATOM 0 HA GLU A 49 6.593 8.747 4.381 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.074 10.209 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.461 10.028 6.386 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.810 11.447 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.022 11.016 3.598 1.00 0.00 H new ATOM 784 N ASP A 50 4.012 7.117 5.526 1.00 0.00 N ATOM 785 CA ASP A 50 3.668 5.929 6.354 1.00 0.00 C ATOM 786 C ASP A 50 4.294 4.689 5.722 1.00 0.00 C ATOM 787 O ASP A 50 4.766 3.798 6.401 1.00 0.00 O ATOM 788 CB ASP A 50 2.140 5.846 6.320 1.00 0.00 C ATOM 789 CG ASP A 50 1.673 4.675 7.187 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.416 4.287 8.073 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.580 4.187 6.949 1.00 0.00 O ATOM 0 H ASP A 50 3.236 7.522 5.002 1.00 0.00 H new ATOM 0 HA ASP A 50 4.036 6.000 7.378 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.706 6.777 6.684 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.795 5.713 5.295 1.00 0.00 H new ATOM 796 N CYS A 51 4.322 4.642 4.418 1.00 0.00 N ATOM 797 CA CYS A 51 4.938 3.479 3.723 1.00 0.00 C ATOM 798 C CYS A 51 6.456 3.536 3.912 1.00 0.00 C ATOM 799 O CYS A 51 7.097 2.547 4.209 1.00 0.00 O ATOM 800 CB CYS A 51 4.574 3.661 2.249 1.00 0.00 C ATOM 801 SG CYS A 51 5.522 2.492 1.242 1.00 0.00 S ATOM 0 H CYS A 51 3.943 5.362 3.803 1.00 0.00 H new ATOM 0 HA CYS A 51 4.590 2.519 4.105 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.506 3.498 2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.786 4.683 1.935 1.00 0.00 H new ATOM 806 N MET A 52 7.029 4.700 3.748 1.00 0.00 N ATOM 807 CA MET A 52 8.504 4.844 3.922 1.00 0.00 C ATOM 808 C MET A 52 8.893 4.531 5.367 1.00 0.00 C ATOM 809 O MET A 52 9.662 3.629 5.631 1.00 0.00 O ATOM 810 CB MET A 52 8.803 6.308 3.594 1.00 0.00 C ATOM 811 CG MET A 52 10.204 6.420 2.990 1.00 0.00 C ATOM 812 SD MET A 52 10.188 7.646 1.660 1.00 0.00 S ATOM 813 CE MET A 52 10.553 6.510 0.300 1.00 0.00 C ATOM 0 H MET A 52 6.537 5.559 3.500 1.00 0.00 H new ATOM 0 HA MET A 52 9.064 4.162 3.283 1.00 0.00 H new ATOM 0 HB2 MET A 52 8.062 6.694 2.894 1.00 0.00 H new ATOM 0 HB3 MET A 52 8.735 6.915 4.497 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.921 6.710 3.758 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.524 5.452 2.604 1.00 0.00 H new ATOM 0 HE1 MET A 52 10.591 7.065 -0.637 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.515 6.029 0.476 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.773 5.751 0.241 1.00 0.00 H new ATOM 823 N ARG A 53 8.365 5.263 6.311 1.00 0.00 N ATOM 824 CA ARG A 53 8.706 4.993 7.737 1.00 0.00 C ATOM 825 C ARG A 53 8.692 3.484 7.994 1.00 0.00 C ATOM 826 O ARG A 53 9.367 2.985 8.872 1.00 0.00 O ATOM 827 CB ARG A 53 7.614 5.690 8.548 1.00 0.00 C ATOM 828 CG ARG A 53 8.248 6.450 9.714 1.00 0.00 C ATOM 829 CD ARG A 53 7.358 6.319 10.953 1.00 0.00 C ATOM 830 NE ARG A 53 6.472 7.516 10.918 1.00 0.00 N ATOM 831 CZ ARG A 53 6.712 8.528 11.706 1.00 0.00 C ATOM 832 NH1 ARG A 53 7.940 8.815 12.042 1.00 0.00 N ATOM 833 NH2 ARG A 53 5.725 9.253 12.158 1.00 0.00 N ATOM 0 H ARG A 53 7.715 6.034 6.157 1.00 0.00 H new ATOM 0 HA ARG A 53 9.698 5.356 8.006 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.057 6.378 7.912 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.901 4.956 8.924 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.242 6.053 9.923 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.373 7.501 9.452 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.777 5.397 10.926 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.953 6.295 11.866 1.00 0.00 H new ATOM 0 HE ARG A 53 5.678 7.545 10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.711 8.248 11.689 1.00 0.00 H new ATOM 0 HH12 ARG A 53 8.129 9.606 12.658 1.00 0.00 H new ATOM 0 HH21 ARG A 53 4.765 9.029 11.895 1.00 0.00 H new ATOM 0 HH22 ARG A 53 5.913 10.044 12.774 1.00 0.00 H new ATOM 847 N THR A 54 7.929 2.757 7.222 1.00 0.00 N ATOM 848 CA THR A 54 7.868 1.280 7.403 1.00 0.00 C ATOM 849 C THR A 54 8.799 0.594 6.396 1.00 0.00 C ATOM 850 O THR A 54 9.422 -0.406 6.692 1.00 0.00 O ATOM 851 CB THR A 54 6.404 0.916 7.130 1.00 0.00 C ATOM 852 OG1 THR A 54 5.639 1.138 8.307 1.00 0.00 O ATOM 853 CG2 THR A 54 6.298 -0.555 6.718 1.00 0.00 C ATOM 0 H THR A 54 7.344 3.125 6.472 1.00 0.00 H new ATOM 0 HA THR A 54 8.186 0.961 8.396 1.00 0.00 H new ATOM 0 HB THR A 54 6.023 1.539 6.321 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.702 0.908 8.136 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.255 -0.805 6.526 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.883 -0.723 5.814 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.680 -1.186 7.520 1.00 0.00 H new ATOM 861 N CYS A 55 8.894 1.124 5.206 1.00 0.00 N ATOM 862 CA CYS A 55 9.779 0.502 4.179 1.00 0.00 C ATOM 863 C CYS A 55 10.577 1.577 3.438 1.00 0.00 C ATOM 864 O CYS A 55 10.648 1.583 2.224 1.00 0.00 O ATOM 865 CB CYS A 55 8.827 -0.209 3.220 1.00 0.00 C ATOM 866 SG CYS A 55 9.675 -1.617 2.470 1.00 0.00 S ATOM 0 H CYS A 55 8.397 1.961 4.901 1.00 0.00 H new ATOM 0 HA CYS A 55 10.505 -0.180 4.621 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.939 -0.547 3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.489 0.481 2.447 1.00 0.00 H new ATOM 871 N GLY A 56 11.176 2.484 4.155 1.00 0.00 N ATOM 872 CA GLY A 56 11.966 3.557 3.488 1.00 0.00 C ATOM 873 C GLY A 56 13.425 3.119 3.367 1.00 0.00 C ATOM 874 O GLY A 56 14.019 2.637 4.312 1.00 0.00 O ATOM 0 H GLY A 56 11.154 2.530 5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.555 3.765 2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.900 4.482 4.062 1.00 0.00 H new ATOM 878 N GLY A 57 14.011 3.281 2.213 1.00 0.00 N ATOM 879 CA GLY A 57 15.433 2.873 2.036 1.00 0.00 C ATOM 880 C GLY A 57 15.713 2.619 0.553 1.00 0.00 C ATOM 881 O GLY A 57 15.236 3.330 -0.309 1.00 0.00 O ATOM 0 H GLY A 57 13.567 3.678 1.385 1.00 0.00 H new ATOM 0 HA2 GLY A 57 16.095 3.652 2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.638 1.972 2.615 1.00 0.00 H new ATOM 885 N ALA A 58 16.485 1.611 0.252 1.00 0.00 N ATOM 886 CA ALA A 58 16.797 1.311 -1.175 1.00 0.00 C ATOM 887 C ALA A 58 17.560 2.478 -1.810 1.00 0.00 C ATOM 888 O ALA A 58 18.710 2.669 -1.456 1.00 0.00 O ATOM 889 CB ALA A 58 15.437 1.133 -1.847 1.00 0.00 C ATOM 890 OXT ALA A 58 16.978 3.157 -2.640 1.00 0.00 O ATOM 0 H ALA A 58 16.913 0.982 0.932 1.00 0.00 H new ATOM 0 HA ALA A 58 17.425 0.427 -1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.580 0.909 -2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.901 0.312 -1.371 1.00 0.00 H new ATOM 0 HB3 ALA A 58 14.858 2.051 -1.746 1.00 0.00 H new TER 896 ALA A 58