USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=13 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0517 USER MOD Single : A 3 SER OG : rot 65:sc= 0.0728 USER MOD Single : A 5 SER OG : rot 180:sc= 0.051 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -56:sc= 0.0481 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.123 USER MOD Single : A 12 GLN : amide:sc= -2.36 K(o=-2.4,f=-0.015) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 136:sc= -0.497 USER MOD Single : A 35 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0789) USER MOD Single : A 36 THR OG1 : rot 177:sc= -0.531 USER MOD Single : A 42 SER OG : rot 67:sc= 0.627 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-3.2!) USER MOD Single : A 52 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.22) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.165 2.066 -32.010 1.00 0.00 N ATOM 2 CA GLY A 1 7.942 1.857 -31.256 1.00 0.00 C ATOM 3 C GLY A 1 8.177 1.862 -29.758 1.00 0.00 C ATOM 4 O GLY A 1 9.066 1.171 -29.260 1.00 0.00 O ATOM 0 H1 GLY A 1 8.952 2.054 -33.028 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.578 2.985 -31.754 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.843 1.308 -31.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.224 2.636 -31.511 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.497 0.906 -31.548 1.00 0.00 H new ATOM 8 N SER A 2 7.380 2.644 -29.038 1.00 0.00 N ATOM 9 CA SER A 2 7.509 2.741 -27.589 1.00 0.00 C ATOM 10 C SER A 2 6.884 1.529 -26.906 1.00 0.00 C ATOM 11 O SER A 2 5.728 1.568 -26.482 1.00 0.00 O ATOM 12 CB SER A 2 6.848 4.024 -27.081 1.00 0.00 C ATOM 13 OG SER A 2 5.727 4.369 -27.877 1.00 0.00 O ATOM 0 H SER A 2 6.638 3.220 -29.435 1.00 0.00 H new ATOM 0 HA SER A 2 8.571 2.767 -27.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.535 3.891 -26.045 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.572 4.839 -27.093 1.00 0.00 H new ATOM 0 HG SER A 2 5.321 5.191 -27.531 1.00 0.00 H new ATOM 19 N SER A 3 7.656 0.452 -26.802 1.00 0.00 N ATOM 20 CA SER A 3 7.178 -0.774 -26.174 1.00 0.00 C ATOM 21 C SER A 3 7.544 -0.804 -24.693 1.00 0.00 C ATOM 22 O SER A 3 8.697 -0.588 -24.323 1.00 0.00 O ATOM 23 CB SER A 3 7.766 -1.997 -26.881 1.00 0.00 C ATOM 24 OG SER A 3 8.888 -1.640 -27.670 1.00 0.00 O ATOM 0 H SER A 3 8.615 0.404 -27.145 1.00 0.00 H new ATOM 0 HA SER A 3 6.092 -0.799 -26.263 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.060 -2.742 -26.142 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.005 -2.457 -27.512 1.00 0.00 H new ATOM 0 HG SER A 3 9.609 -1.320 -27.088 1.00 0.00 H new ATOM 30 N GLY A 4 6.552 -1.075 -23.850 1.00 0.00 N ATOM 31 CA GLY A 4 6.788 -1.129 -22.419 1.00 0.00 C ATOM 32 C GLY A 4 5.603 -1.687 -21.657 1.00 0.00 C ATOM 33 O GLY A 4 5.384 -1.340 -20.496 1.00 0.00 O ATOM 0 H GLY A 4 5.589 -1.258 -24.133 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.666 -1.745 -22.222 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.012 -0.127 -22.053 1.00 0.00 H new ATOM 37 N SER A 5 4.835 -2.552 -22.310 1.00 0.00 N ATOM 38 CA SER A 5 3.662 -3.155 -21.688 1.00 0.00 C ATOM 39 C SER A 5 4.056 -3.970 -20.461 1.00 0.00 C ATOM 40 O SER A 5 4.449 -5.131 -20.573 1.00 0.00 O ATOM 41 CB SER A 5 2.927 -4.046 -22.692 1.00 0.00 C ATOM 42 OG SER A 5 3.835 -4.661 -23.588 1.00 0.00 O ATOM 0 H SER A 5 5.004 -2.851 -23.270 1.00 0.00 H new ATOM 0 HA SER A 5 2.997 -2.352 -21.371 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.363 -4.811 -22.159 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.206 -3.450 -23.252 1.00 0.00 H new ATOM 0 HG SER A 5 3.341 -5.226 -24.218 1.00 0.00 H new ATOM 48 N SER A 6 3.948 -3.353 -19.288 1.00 0.00 N ATOM 49 CA SER A 6 4.297 -4.019 -18.039 1.00 0.00 C ATOM 50 C SER A 6 5.749 -4.488 -18.060 1.00 0.00 C ATOM 51 O SER A 6 6.453 -4.319 -19.055 1.00 0.00 O ATOM 52 CB SER A 6 3.368 -5.209 -17.794 1.00 0.00 C ATOM 53 OG SER A 6 2.915 -5.235 -16.452 1.00 0.00 O ATOM 0 H SER A 6 3.622 -2.393 -19.177 1.00 0.00 H new ATOM 0 HA SER A 6 4.177 -3.301 -17.228 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.514 -5.152 -18.468 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.893 -6.137 -18.022 1.00 0.00 H new ATOM 0 HG SER A 6 2.322 -6.004 -16.322 1.00 0.00 H new ATOM 59 N GLY A 7 6.190 -5.079 -16.954 1.00 0.00 N ATOM 60 CA GLY A 7 7.555 -5.564 -16.865 1.00 0.00 C ATOM 61 C GLY A 7 8.139 -5.401 -15.476 1.00 0.00 C ATOM 62 O GLY A 7 7.636 -5.978 -14.512 1.00 0.00 O ATOM 0 H GLY A 7 5.626 -5.231 -16.118 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.582 -6.617 -17.146 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.176 -5.027 -17.582 1.00 0.00 H new ATOM 66 N PHE A 8 9.205 -4.615 -15.373 1.00 0.00 N ATOM 67 CA PHE A 8 9.860 -4.379 -14.091 1.00 0.00 C ATOM 68 C PHE A 8 9.640 -2.944 -13.623 1.00 0.00 C ATOM 69 O PHE A 8 10.320 -2.022 -14.073 1.00 0.00 O ATOM 70 CB PHE A 8 11.359 -4.668 -14.200 1.00 0.00 C ATOM 71 CG PHE A 8 11.670 -6.097 -14.545 1.00 0.00 C ATOM 72 CD1 PHE A 8 11.272 -7.128 -13.709 1.00 0.00 C ATOM 73 CD2 PHE A 8 12.363 -6.408 -15.704 1.00 0.00 C ATOM 74 CE1 PHE A 8 11.557 -8.443 -14.024 1.00 0.00 C ATOM 75 CE2 PHE A 8 12.650 -7.722 -16.024 1.00 0.00 C ATOM 76 CZ PHE A 8 12.248 -8.740 -15.182 1.00 0.00 C ATOM 0 H PHE A 8 9.634 -4.130 -16.161 1.00 0.00 H new ATOM 0 HA PHE A 8 9.419 -5.053 -13.357 1.00 0.00 H new ATOM 0 HB2 PHE A 8 11.792 -4.017 -14.959 1.00 0.00 H new ATOM 0 HB3 PHE A 8 11.839 -4.418 -13.254 1.00 0.00 H new ATOM 0 HD1 PHE A 8 10.733 -6.901 -12.801 1.00 0.00 H new ATOM 0 HD2 PHE A 8 12.682 -5.615 -16.364 1.00 0.00 H new ATOM 0 HE1 PHE A 8 11.240 -9.238 -13.365 1.00 0.00 H new ATOM 0 HE2 PHE A 8 13.188 -7.952 -16.932 1.00 0.00 H new ATOM 0 HZ PHE A 8 12.474 -9.767 -15.429 1.00 0.00 H new ATOM 86 N SER A 9 8.684 -2.763 -12.717 1.00 0.00 N ATOM 87 CA SER A 9 8.370 -1.440 -12.190 1.00 0.00 C ATOM 88 C SER A 9 8.166 -1.491 -10.679 1.00 0.00 C ATOM 89 O SER A 9 7.307 -0.799 -10.133 1.00 0.00 O ATOM 90 CB SER A 9 7.117 -0.883 -12.867 1.00 0.00 C ATOM 91 OG SER A 9 7.046 0.526 -12.729 1.00 0.00 O ATOM 0 H SER A 9 8.113 -3.516 -12.333 1.00 0.00 H new ATOM 0 HA SER A 9 9.212 -0.782 -12.403 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.123 -1.148 -13.924 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.230 -1.340 -12.429 1.00 0.00 H new ATOM 0 HG SER A 9 7.082 0.764 -11.779 1.00 0.00 H new ATOM 97 N LYS A 10 8.962 -2.317 -10.009 1.00 0.00 N ATOM 98 CA LYS A 10 8.872 -2.460 -8.560 1.00 0.00 C ATOM 99 C LYS A 10 9.979 -1.673 -7.866 1.00 0.00 C ATOM 100 O LYS A 10 11.154 -1.793 -8.216 1.00 0.00 O ATOM 101 CB LYS A 10 8.957 -3.936 -8.167 1.00 0.00 C ATOM 102 CG LYS A 10 7.981 -4.823 -8.920 1.00 0.00 C ATOM 103 CD LYS A 10 7.695 -6.108 -8.161 1.00 0.00 C ATOM 104 CE LYS A 10 6.839 -7.061 -8.981 1.00 0.00 C ATOM 105 NZ LYS A 10 7.334 -8.463 -8.896 1.00 0.00 N ATOM 0 H LYS A 10 9.677 -2.898 -10.446 1.00 0.00 H new ATOM 0 HA LYS A 10 7.910 -2.060 -8.239 1.00 0.00 H new ATOM 0 HB2 LYS A 10 9.971 -4.293 -8.345 1.00 0.00 H new ATOM 0 HB3 LYS A 10 8.769 -4.030 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.049 -4.282 -9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.389 -5.063 -9.902 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.635 -6.594 -7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.187 -5.874 -7.226 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.808 -7.018 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.834 -6.740 -10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.724 -9.082 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.309 -8.509 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.315 -8.778 -7.905 1.00 0.00 H new ATOM 119 N THR A 11 9.598 -0.868 -6.879 1.00 0.00 N ATOM 120 CA THR A 11 10.558 -0.063 -6.135 1.00 0.00 C ATOM 121 C THR A 11 10.072 0.200 -4.715 1.00 0.00 C ATOM 122 O THR A 11 9.237 1.074 -4.488 1.00 0.00 O ATOM 123 CB THR A 11 10.821 1.285 -6.834 1.00 0.00 C ATOM 124 OG1 THR A 11 11.093 1.072 -8.223 1.00 0.00 O ATOM 125 CG2 THR A 11 11.992 2.010 -6.188 1.00 0.00 C ATOM 0 H THR A 11 8.630 -0.756 -6.576 1.00 0.00 H new ATOM 0 HA THR A 11 11.487 -0.632 -6.098 1.00 0.00 H new ATOM 0 HB THR A 11 9.929 1.903 -6.730 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.257 1.934 -8.660 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.159 2.959 -6.698 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.769 2.197 -5.138 1.00 0.00 H new ATOM 0 HG23 THR A 11 12.888 1.394 -6.265 1.00 0.00 H new ATOM 133 N GLN A 12 10.602 -0.561 -3.763 1.00 0.00 N ATOM 134 CA GLN A 12 10.220 -0.409 -2.363 1.00 0.00 C ATOM 135 C GLN A 12 11.453 -0.324 -1.470 1.00 0.00 C ATOM 136 O GLN A 12 11.643 -1.150 -0.577 1.00 0.00 O ATOM 137 CB GLN A 12 9.337 -1.578 -1.924 1.00 0.00 C ATOM 138 CG GLN A 12 8.258 -1.938 -2.933 1.00 0.00 C ATOM 139 CD GLN A 12 8.557 -3.228 -3.671 1.00 0.00 C ATOM 140 OE1 GLN A 12 8.155 -4.310 -3.243 1.00 0.00 O ATOM 141 NE2 GLN A 12 9.267 -3.120 -4.788 1.00 0.00 N ATOM 0 H GLN A 12 11.296 -1.288 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 12 9.657 0.519 -2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.965 -2.451 -1.749 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.865 -1.329 -0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.301 -2.031 -2.419 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.155 -1.127 -3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 12 9.580 -2.203 -5.107 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.499 -3.954 -5.327 1.00 0.00 H new ATOM 150 N ARG A 13 12.288 0.680 -1.716 1.00 0.00 N ATOM 151 CA ARG A 13 13.504 0.872 -0.934 1.00 0.00 C ATOM 152 C ARG A 13 13.176 1.390 0.463 1.00 0.00 C ATOM 153 O ARG A 13 12.025 1.709 0.763 1.00 0.00 O ATOM 154 CB ARG A 13 14.444 1.848 -1.644 1.00 0.00 C ATOM 155 CG ARG A 13 13.852 3.235 -1.833 1.00 0.00 C ATOM 156 CD ARG A 13 14.247 3.832 -3.174 1.00 0.00 C ATOM 157 NE ARG A 13 13.693 5.170 -3.363 1.00 0.00 N ATOM 158 CZ ARG A 13 13.866 5.888 -4.467 1.00 0.00 C ATOM 159 NH1 ARG A 13 14.575 5.400 -5.475 1.00 0.00 N ATOM 160 NH2 ARG A 13 13.330 7.098 -4.563 1.00 0.00 N ATOM 0 H ARG A 13 12.145 1.373 -2.450 1.00 0.00 H new ATOM 0 HA ARG A 13 14.000 -0.094 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.368 1.931 -1.071 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.709 1.439 -2.619 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.766 3.180 -1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.190 3.889 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.334 3.877 -3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 13 13.902 3.180 -3.977 1.00 0.00 H new ATOM 0 HE ARG A 13 13.143 5.575 -2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.989 4.471 -5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.706 5.954 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 13 12.785 7.477 -3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.463 7.649 -5.411 1.00 0.00 H new ATOM 174 N TRP A 14 14.193 1.471 1.312 1.00 0.00 N ATOM 175 CA TRP A 14 14.013 1.950 2.678 1.00 0.00 C ATOM 176 C TRP A 14 13.374 3.334 2.689 1.00 0.00 C ATOM 177 O TRP A 14 13.144 3.930 1.637 1.00 0.00 O ATOM 178 CB TRP A 14 15.356 1.989 3.409 1.00 0.00 C ATOM 179 CG TRP A 14 15.962 0.633 3.610 1.00 0.00 C ATOM 180 CD1 TRP A 14 16.947 0.056 2.860 1.00 0.00 C ATOM 181 CD2 TRP A 14 15.621 -0.316 4.626 1.00 0.00 C ATOM 182 NE1 TRP A 14 17.239 -1.195 3.350 1.00 0.00 N ATOM 183 CE2 TRP A 14 16.439 -1.446 4.433 1.00 0.00 C ATOM 184 CE3 TRP A 14 14.705 -0.321 5.681 1.00 0.00 C ATOM 185 CZ2 TRP A 14 16.367 -2.567 5.256 1.00 0.00 C ATOM 186 CZ3 TRP A 14 14.634 -1.434 6.497 1.00 0.00 C ATOM 187 CH2 TRP A 14 15.461 -2.544 6.281 1.00 0.00 C ATOM 0 H TRP A 14 15.152 1.211 1.079 1.00 0.00 H new ATOM 0 HA TRP A 14 13.347 1.258 3.194 1.00 0.00 H new ATOM 0 HB2 TRP A 14 16.051 2.610 2.844 1.00 0.00 H new ATOM 0 HB3 TRP A 14 15.220 2.466 4.380 1.00 0.00 H new ATOM 0 HD1 TRP A 14 17.426 0.515 2.008 1.00 0.00 H new ATOM 0 HE1 TRP A 14 17.938 -1.833 2.969 1.00 0.00 H new ATOM 0 HE3 TRP A 14 14.064 0.530 5.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 17.003 -3.424 5.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.929 -1.448 7.315 1.00 0.00 H new ATOM 0 HH2 TRP A 14 15.382 -3.399 6.937 1.00 0.00 H new ATOM 198 N ALA A 15 13.090 3.841 3.884 1.00 0.00 N ATOM 199 CA ALA A 15 12.479 5.156 4.031 1.00 0.00 C ATOM 200 C ALA A 15 13.010 5.872 5.269 1.00 0.00 C ATOM 201 O ALA A 15 12.905 5.363 6.384 1.00 0.00 O ATOM 202 CB ALA A 15 10.965 5.030 4.101 1.00 0.00 C ATOM 0 H ALA A 15 13.273 3.361 4.765 1.00 0.00 H new ATOM 0 HA ALA A 15 12.743 5.752 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.522 6.020 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.596 4.567 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.690 4.413 4.956 1.00 0.00 H new ATOM 208 N GLU A 16 13.581 7.055 5.063 1.00 0.00 N ATOM 209 CA GLU A 16 14.129 7.840 6.163 1.00 0.00 C ATOM 210 C GLU A 16 13.099 8.010 7.276 1.00 0.00 C ATOM 211 O GLU A 16 11.896 7.842 7.074 1.00 0.00 O ATOM 212 CB GLU A 16 14.587 9.211 5.662 1.00 0.00 C ATOM 213 CG GLU A 16 16.095 9.342 5.539 1.00 0.00 C ATOM 214 CD GLU A 16 16.608 10.677 6.044 1.00 0.00 C ATOM 215 OE1 GLU A 16 16.524 11.668 5.290 1.00 0.00 O ATOM 216 OE2 GLU A 16 17.094 10.730 7.193 1.00 0.00 O ATOM 0 H GLU A 16 13.676 7.490 4.145 1.00 0.00 H new ATOM 0 HA GLU A 16 14.988 7.304 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 16 14.134 9.403 4.689 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.219 9.979 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.573 8.538 6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.383 9.218 4.495 1.00 0.00 H new ATOM 223 N PRO A 17 13.581 8.350 8.481 1.00 0.00 N ATOM 224 CA PRO A 17 12.721 8.551 9.650 1.00 0.00 C ATOM 225 C PRO A 17 11.863 9.806 9.530 1.00 0.00 C ATOM 226 O PRO A 17 12.170 10.838 10.124 1.00 0.00 O ATOM 227 CB PRO A 17 13.717 8.692 10.804 1.00 0.00 C ATOM 228 CG PRO A 17 14.969 9.183 10.164 1.00 0.00 C ATOM 229 CD PRO A 17 15.004 8.566 8.793 1.00 0.00 C ATOM 0 HA PRO A 17 12.012 7.734 9.779 1.00 0.00 H new ATOM 0 HB2 PRO A 17 13.355 9.393 11.556 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.877 7.739 11.308 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.975 10.271 10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 17 15.844 8.892 10.745 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.479 9.226 8.067 1.00 0.00 H new ATOM 0 HD3 PRO A 17 15.563 7.631 8.787 1.00 0.00 H new ATOM 237 N GLY A 18 10.785 9.709 8.757 1.00 0.00 N ATOM 238 CA GLY A 18 9.899 10.844 8.574 1.00 0.00 C ATOM 239 C GLY A 18 9.123 10.770 7.274 1.00 0.00 C ATOM 240 O GLY A 18 8.034 11.330 7.162 1.00 0.00 O ATOM 0 H GLY A 18 10.510 8.865 8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.200 10.893 9.409 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.483 11.764 8.593 1.00 0.00 H new ATOM 244 N GLU A 19 9.687 10.077 6.289 1.00 0.00 N ATOM 245 CA GLU A 19 9.041 9.935 4.989 1.00 0.00 C ATOM 246 C GLU A 19 7.917 8.904 5.050 1.00 0.00 C ATOM 247 O GLU A 19 7.858 8.066 5.950 1.00 0.00 O ATOM 248 CB GLU A 19 10.065 9.527 3.928 1.00 0.00 C ATOM 249 CG GLU A 19 10.520 10.678 3.047 1.00 0.00 C ATOM 250 CD GLU A 19 11.198 11.783 3.834 1.00 0.00 C ATOM 251 OE1 GLU A 19 12.301 11.541 4.366 1.00 0.00 O ATOM 252 OE2 GLU A 19 10.624 12.889 3.918 1.00 0.00 O ATOM 0 H GLU A 19 10.588 9.606 6.366 1.00 0.00 H new ATOM 0 HA GLU A 19 8.612 10.899 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.934 9.093 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.634 8.748 3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.208 10.301 2.290 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.659 11.089 2.519 1.00 0.00 H new ATOM 259 N PRO A 20 7.003 8.967 4.071 1.00 0.00 N ATOM 260 CA PRO A 20 5.864 8.048 3.990 1.00 0.00 C ATOM 261 C PRO A 20 6.290 6.628 3.635 1.00 0.00 C ATOM 262 O PRO A 20 7.300 6.423 2.961 1.00 0.00 O ATOM 263 CB PRO A 20 5.005 8.644 2.872 1.00 0.00 C ATOM 264 CG PRO A 20 5.962 9.412 2.027 1.00 0.00 C ATOM 265 CD PRO A 20 7.011 9.941 2.966 1.00 0.00 C ATOM 0 HA PRO A 20 5.344 7.959 4.944 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.507 7.864 2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.225 9.290 3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.407 8.774 1.264 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.457 10.226 1.507 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.988 9.996 2.486 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.769 10.945 3.314 1.00 0.00 H new ATOM 273 N ILE A 21 5.513 5.651 4.090 1.00 0.00 N ATOM 274 CA ILE A 21 5.810 4.250 3.819 1.00 0.00 C ATOM 275 C ILE A 21 4.553 3.491 3.406 1.00 0.00 C ATOM 276 O ILE A 21 3.459 3.766 3.900 1.00 0.00 O ATOM 277 CB ILE A 21 6.434 3.558 5.045 1.00 0.00 C ATOM 278 CG1 ILE A 21 7.740 4.252 5.440 1.00 0.00 C ATOM 279 CG2 ILE A 21 6.678 2.085 4.755 1.00 0.00 C ATOM 280 CD1 ILE A 21 8.096 4.084 6.900 1.00 0.00 C ATOM 0 H ILE A 21 4.673 5.804 4.648 1.00 0.00 H new ATOM 0 HA ILE A 21 6.528 4.234 2.999 1.00 0.00 H new ATOM 0 HB ILE A 21 5.737 3.633 5.880 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.551 3.857 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.660 5.315 5.214 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.119 1.610 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.732 1.599 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.358 1.989 3.909 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.033 4.601 7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.303 4.505 7.519 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.209 3.024 7.127 1.00 0.00 H new ATOM 292 N CYS A 22 4.717 2.534 2.500 1.00 0.00 N ATOM 293 CA CYS A 22 3.596 1.733 2.021 1.00 0.00 C ATOM 294 C CYS A 22 2.782 1.184 3.189 1.00 0.00 C ATOM 295 O CYS A 22 3.337 0.777 4.210 1.00 0.00 O ATOM 296 CB CYS A 22 4.101 0.581 1.150 1.00 0.00 C ATOM 297 SG CYS A 22 2.965 0.113 -0.195 1.00 0.00 S ATOM 0 H CYS A 22 5.616 2.294 2.082 1.00 0.00 H new ATOM 0 HA CYS A 22 2.951 2.376 1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.062 0.860 0.719 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.276 -0.289 1.783 1.00 0.00 H new ATOM 302 N VAL A 23 1.462 1.176 3.031 1.00 0.00 N ATOM 303 CA VAL A 23 0.571 0.675 4.071 1.00 0.00 C ATOM 304 C VAL A 23 0.249 -0.799 3.856 1.00 0.00 C ATOM 305 O VAL A 23 -0.487 -1.405 4.635 1.00 0.00 O ATOM 306 CB VAL A 23 -0.744 1.475 4.115 1.00 0.00 C ATOM 307 CG1 VAL A 23 -0.509 2.858 4.704 1.00 0.00 C ATOM 308 CG2 VAL A 23 -1.354 1.576 2.725 1.00 0.00 C ATOM 0 H VAL A 23 0.986 1.511 2.193 1.00 0.00 H new ATOM 0 HA VAL A 23 1.093 0.795 5.020 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.448 0.947 4.758 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.450 3.408 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.121 2.761 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.212 3.397 4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.283 2.145 2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.656 2.080 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.561 0.576 2.345 1.00 0.00 H new ATOM 318 N VAL A 24 0.806 -1.372 2.794 1.00 0.00 N ATOM 319 CA VAL A 24 0.580 -2.777 2.477 1.00 0.00 C ATOM 320 C VAL A 24 1.897 -3.541 2.395 1.00 0.00 C ATOM 321 O VAL A 24 1.961 -4.728 2.718 1.00 0.00 O ATOM 322 CB VAL A 24 -0.177 -2.937 1.145 1.00 0.00 C ATOM 323 CG1 VAL A 24 -1.617 -2.467 1.290 1.00 0.00 C ATOM 324 CG2 VAL A 24 0.532 -2.177 0.035 1.00 0.00 C ATOM 0 H VAL A 24 1.417 -0.885 2.139 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.026 -3.190 3.283 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.190 -3.994 0.879 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.136 -2.587 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.118 -3.060 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.629 -1.416 1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.016 -2.301 -0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.578 -1.118 0.291 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.543 -2.566 -0.084 1.00 0.00 H new ATOM 334 N CYS A 25 2.948 -2.853 1.961 1.00 0.00 N ATOM 335 CA CYS A 25 4.265 -3.465 1.835 1.00 0.00 C ATOM 336 C CYS A 25 5.076 -3.276 3.114 1.00 0.00 C ATOM 337 O CYS A 25 5.189 -4.188 3.931 1.00 0.00 O ATOM 338 CB CYS A 25 5.018 -2.865 0.647 1.00 0.00 C ATOM 339 SG CYS A 25 4.252 -3.209 -0.970 1.00 0.00 S ATOM 0 H CYS A 25 2.913 -1.870 1.690 1.00 0.00 H new ATOM 0 HA CYS A 25 4.128 -4.533 1.667 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.087 -1.786 0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.037 -3.252 0.644 1.00 0.00 H new ATOM 344 N GLY A 26 5.640 -2.083 3.280 1.00 0.00 N ATOM 345 CA GLY A 26 6.434 -1.795 4.460 1.00 0.00 C ATOM 346 C GLY A 26 7.838 -1.339 4.118 1.00 0.00 C ATOM 347 O GLY A 26 8.815 -1.851 4.666 1.00 0.00 O ATOM 0 H GLY A 26 5.561 -1.311 2.618 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.938 -1.023 5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.487 -2.687 5.085 1.00 0.00 H new ATOM 351 N ARG A 27 7.941 -0.376 3.208 1.00 0.00 N ATOM 352 CA ARG A 27 9.236 0.146 2.791 1.00 0.00 C ATOM 353 C ARG A 27 9.187 1.664 2.639 1.00 0.00 C ATOM 354 O ARG A 27 9.711 2.399 3.476 1.00 0.00 O ATOM 355 CB ARG A 27 9.669 -0.496 1.472 1.00 0.00 C ATOM 356 CG ARG A 27 9.858 -2.001 1.561 1.00 0.00 C ATOM 357 CD ARG A 27 11.015 -2.364 2.479 1.00 0.00 C ATOM 358 NE ARG A 27 11.922 -3.328 1.862 1.00 0.00 N ATOM 359 CZ ARG A 27 13.009 -3.802 2.461 1.00 0.00 C ATOM 360 NH1 ARG A 27 13.322 -3.403 3.686 1.00 0.00 N ATOM 361 NH2 ARG A 27 13.785 -4.678 1.834 1.00 0.00 N ATOM 0 H ARG A 27 7.142 0.058 2.745 1.00 0.00 H new ATOM 0 HA ARG A 27 9.965 -0.101 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.923 -0.277 0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.603 -0.040 1.145 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.942 -2.463 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.041 -2.405 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.568 -1.461 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.624 -2.778 3.409 1.00 0.00 H new ATOM 0 HE ARG A 27 11.709 -3.655 0.920 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.728 -2.731 4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.157 -3.768 4.144 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.547 -4.988 0.892 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.619 -5.041 2.295 1.00 0.00 H new ATOM 375 N TYR A 28 8.556 2.125 1.565 1.00 0.00 N ATOM 376 CA TYR A 28 8.441 3.554 1.301 1.00 0.00 C ATOM 377 C TYR A 28 7.192 3.857 0.479 1.00 0.00 C ATOM 378 O TYR A 28 6.760 3.045 -0.338 1.00 0.00 O ATOM 379 CB TYR A 28 9.684 4.060 0.567 1.00 0.00 C ATOM 380 CG TYR A 28 9.569 5.494 0.100 1.00 0.00 C ATOM 381 CD1 TYR A 28 9.555 6.543 1.011 1.00 0.00 C ATOM 382 CD2 TYR A 28 9.475 5.799 -1.252 1.00 0.00 C ATOM 383 CE1 TYR A 28 9.449 7.854 0.589 1.00 0.00 C ATOM 384 CE2 TYR A 28 9.371 7.107 -1.684 1.00 0.00 C ATOM 385 CZ TYR A 28 9.358 8.131 -0.759 1.00 0.00 C ATOM 386 OH TYR A 28 9.254 9.435 -1.185 1.00 0.00 O ATOM 0 H TYR A 28 8.116 1.530 0.863 1.00 0.00 H new ATOM 0 HA TYR A 28 8.358 4.069 2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.547 3.969 1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.873 3.420 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.628 6.330 2.067 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.483 5.000 -1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.437 8.658 1.311 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.300 7.327 -2.739 1.00 0.00 H new ATOM 0 HH TYR A 28 9.200 9.456 -2.163 1.00 0.00 H new ATOM 396 N GLY A 29 6.616 5.035 0.701 1.00 0.00 N ATOM 397 CA GLY A 29 5.423 5.427 -0.027 1.00 0.00 C ATOM 398 C GLY A 29 5.643 6.660 -0.880 1.00 0.00 C ATOM 399 O GLY A 29 5.308 7.772 -0.472 1.00 0.00 O ATOM 0 H GLY A 29 6.954 5.725 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.102 4.602 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.616 5.618 0.680 1.00 0.00 H new ATOM 403 N GLU A 30 6.210 6.464 -2.066 1.00 0.00 N ATOM 404 CA GLU A 30 6.476 7.571 -2.977 1.00 0.00 C ATOM 405 C GLU A 30 5.182 8.278 -3.368 1.00 0.00 C ATOM 406 O GLU A 30 5.198 9.425 -3.814 1.00 0.00 O ATOM 407 CB GLU A 30 7.194 7.067 -4.231 1.00 0.00 C ATOM 408 CG GLU A 30 8.027 8.132 -4.925 1.00 0.00 C ATOM 409 CD GLU A 30 7.388 8.630 -6.206 1.00 0.00 C ATOM 410 OE1 GLU A 30 7.527 7.947 -7.243 1.00 0.00 O ATOM 411 OE2 GLU A 30 6.749 9.702 -6.173 1.00 0.00 O ATOM 0 H GLU A 30 6.494 5.550 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 30 7.118 8.285 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.840 6.232 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.454 6.682 -4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.174 8.972 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.014 7.727 -5.149 1.00 0.00 H new ATOM 418 N TYR A 31 4.062 7.584 -3.198 1.00 0.00 N ATOM 419 CA TYR A 31 2.758 8.143 -3.535 1.00 0.00 C ATOM 420 C TYR A 31 1.868 8.234 -2.299 1.00 0.00 C ATOM 421 O TYR A 31 1.988 7.430 -1.374 1.00 0.00 O ATOM 422 CB TYR A 31 2.076 7.291 -4.607 1.00 0.00 C ATOM 423 CG TYR A 31 2.907 7.113 -5.857 1.00 0.00 C ATOM 424 CD1 TYR A 31 3.568 8.190 -6.435 1.00 0.00 C ATOM 425 CD2 TYR A 31 3.031 5.868 -6.461 1.00 0.00 C ATOM 426 CE1 TYR A 31 4.327 8.032 -7.578 1.00 0.00 C ATOM 427 CE2 TYR A 31 3.789 5.700 -7.603 1.00 0.00 C ATOM 428 CZ TYR A 31 4.436 6.785 -8.158 1.00 0.00 C ATOM 429 OH TYR A 31 5.191 6.622 -9.297 1.00 0.00 O ATOM 0 H TYR A 31 4.031 6.634 -2.829 1.00 0.00 H new ATOM 0 HA TYR A 31 2.912 9.149 -3.924 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.848 6.310 -4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.125 7.752 -4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.487 9.167 -5.983 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.526 5.017 -6.030 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.833 8.880 -8.015 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.875 4.725 -8.059 1.00 0.00 H new ATOM 0 HH TYR A 31 5.164 5.683 -9.576 1.00 0.00 H new ATOM 439 N ILE A 32 0.975 9.218 -2.292 1.00 0.00 N ATOM 440 CA ILE A 32 0.063 9.413 -1.172 1.00 0.00 C ATOM 441 C ILE A 32 -1.359 9.672 -1.659 1.00 0.00 C ATOM 442 O ILE A 32 -1.591 10.554 -2.487 1.00 0.00 O ATOM 443 CB ILE A 32 0.510 10.587 -0.281 1.00 0.00 C ATOM 444 CG1 ILE A 32 1.837 10.258 0.407 1.00 0.00 C ATOM 445 CG2 ILE A 32 -0.562 10.907 0.751 1.00 0.00 C ATOM 446 CD1 ILE A 32 3.046 10.797 -0.325 1.00 0.00 C ATOM 0 H ILE A 32 0.864 9.892 -3.049 1.00 0.00 H new ATOM 0 HA ILE A 32 0.082 8.494 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 32 0.656 11.465 -0.910 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.823 10.664 1.418 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.931 9.176 0.500 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.231 11.739 1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.487 11.179 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.737 10.032 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.951 10.527 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.084 10.371 -1.328 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.975 11.882 -0.395 1.00 0.00 H new ATOM 458 N CYS A 33 -2.306 8.899 -1.139 1.00 0.00 N ATOM 459 CA CYS A 33 -3.706 9.045 -1.520 1.00 0.00 C ATOM 460 C CYS A 33 -4.285 10.347 -0.975 1.00 0.00 C ATOM 461 O CYS A 33 -3.582 11.132 -0.340 1.00 0.00 O ATOM 462 CB CYS A 33 -4.522 7.857 -1.009 1.00 0.00 C ATOM 463 SG CYS A 33 -5.581 7.095 -2.262 1.00 0.00 S ATOM 0 H CYS A 33 -2.130 8.165 -0.453 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.760 9.072 -2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.839 7.102 -0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.143 8.188 -0.176 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.485 5.801 -2.183 1.00 0.00 H new ATOM 469 N ASP A 34 -5.570 10.569 -1.229 1.00 0.00 N ATOM 470 CA ASP A 34 -6.244 11.776 -0.765 1.00 0.00 C ATOM 471 C ASP A 34 -7.217 11.454 0.365 1.00 0.00 C ATOM 472 O ASP A 34 -7.096 11.979 1.472 1.00 0.00 O ATOM 473 CB ASP A 34 -6.988 12.447 -1.920 1.00 0.00 C ATOM 474 CG ASP A 34 -6.489 13.852 -2.192 1.00 0.00 C ATOM 475 OD1 ASP A 34 -5.284 14.105 -1.985 1.00 0.00 O ATOM 476 OD2 ASP A 34 -7.304 14.700 -2.612 1.00 0.00 O ATOM 0 H ASP A 34 -6.166 9.929 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.487 12.462 -0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.874 11.844 -2.821 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.053 12.481 -1.691 1.00 0.00 H new ATOM 481 N LYS A 35 -8.184 10.589 0.078 1.00 0.00 N ATOM 482 CA LYS A 35 -9.179 10.196 1.069 1.00 0.00 C ATOM 483 C LYS A 35 -8.509 9.735 2.359 1.00 0.00 C ATOM 484 O LYS A 35 -8.543 10.434 3.373 1.00 0.00 O ATOM 485 CB LYS A 35 -10.067 9.079 0.515 1.00 0.00 C ATOM 486 CG LYS A 35 -10.858 9.486 -0.716 1.00 0.00 C ATOM 487 CD LYS A 35 -11.033 8.320 -1.676 1.00 0.00 C ATOM 488 CE LYS A 35 -11.507 8.791 -3.043 1.00 0.00 C ATOM 489 NZ LYS A 35 -10.416 9.455 -3.809 1.00 0.00 N ATOM 0 H LYS A 35 -8.300 10.146 -0.834 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.797 11.066 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.444 8.219 0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.760 8.758 1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.836 9.860 -0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.347 10.304 -1.224 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.087 7.788 -1.781 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.753 7.613 -1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.883 7.940 -3.610 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.339 9.485 -2.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.712 9.579 -4.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.213 10.385 -3.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.560 8.866 -3.775 1.00 0.00 H new ATOM 503 N THR A 36 -7.900 8.554 2.315 1.00 0.00 N ATOM 504 CA THR A 36 -7.222 8.000 3.481 1.00 0.00 C ATOM 505 C THR A 36 -5.894 8.705 3.731 1.00 0.00 C ATOM 506 O THR A 36 -5.354 8.658 4.836 1.00 0.00 O ATOM 507 CB THR A 36 -6.966 6.490 3.316 1.00 0.00 C ATOM 508 OG1 THR A 36 -5.966 6.269 2.315 1.00 0.00 O ATOM 509 CG2 THR A 36 -8.246 5.763 2.932 1.00 0.00 C ATOM 0 H THR A 36 -7.862 7.963 1.485 1.00 0.00 H new ATOM 0 HA THR A 36 -7.880 8.158 4.335 1.00 0.00 H new ATOM 0 HB THR A 36 -6.616 6.097 4.270 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.773 5.310 2.251 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.040 4.698 2.821 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.995 5.909 3.711 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.621 6.160 1.989 1.00 0.00 H new ATOM 517 N ASP A 37 -5.373 9.359 2.698 1.00 0.00 N ATOM 518 CA ASP A 37 -4.108 10.076 2.807 1.00 0.00 C ATOM 519 C ASP A 37 -2.962 9.114 3.103 1.00 0.00 C ATOM 520 O ASP A 37 -1.881 9.531 3.520 1.00 0.00 O ATOM 521 CB ASP A 37 -4.192 11.140 3.902 1.00 0.00 C ATOM 522 CG ASP A 37 -5.427 12.010 3.769 1.00 0.00 C ATOM 523 OD1 ASP A 37 -5.350 13.047 3.078 1.00 0.00 O ATOM 524 OD2 ASP A 37 -6.470 11.654 4.357 1.00 0.00 O ATOM 0 H ASP A 37 -5.807 9.407 1.776 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.912 10.564 1.852 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.197 10.654 4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.302 11.768 3.863 1.00 0.00 H new ATOM 529 N GLU A 38 -3.206 7.825 2.886 1.00 0.00 N ATOM 530 CA GLU A 38 -2.194 6.804 3.132 1.00 0.00 C ATOM 531 C GLU A 38 -1.024 6.954 2.164 1.00 0.00 C ATOM 532 O GLU A 38 -0.979 7.892 1.368 1.00 0.00 O ATOM 533 CB GLU A 38 -2.805 5.408 3.000 1.00 0.00 C ATOM 534 CG GLU A 38 -3.719 5.031 4.154 1.00 0.00 C ATOM 535 CD GLU A 38 -3.107 5.339 5.507 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.189 6.506 5.942 1.00 0.00 O ATOM 537 OE2 GLU A 38 -2.548 4.413 6.130 1.00 0.00 O ATOM 0 H GLU A 38 -4.095 7.463 2.541 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.821 6.935 4.148 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.369 5.354 2.069 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.002 4.674 2.929 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.663 5.568 4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.950 3.967 4.097 1.00 0.00 H new ATOM 544 N ASP A 39 -0.079 6.023 2.239 1.00 0.00 N ATOM 545 CA ASP A 39 1.091 6.049 1.370 1.00 0.00 C ATOM 546 C ASP A 39 1.302 4.695 0.701 1.00 0.00 C ATOM 547 O ASP A 39 1.055 3.649 1.301 1.00 0.00 O ATOM 548 CB ASP A 39 2.337 6.436 2.169 1.00 0.00 C ATOM 549 CG ASP A 39 2.092 7.617 3.088 1.00 0.00 C ATOM 550 OD1 ASP A 39 1.351 8.537 2.686 1.00 0.00 O ATOM 551 OD2 ASP A 39 2.643 7.621 4.209 1.00 0.00 O ATOM 0 H ASP A 39 -0.101 5.241 2.893 1.00 0.00 H new ATOM 0 HA ASP A 39 0.920 6.795 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.666 5.581 2.760 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.146 6.677 1.480 1.00 0.00 H new ATOM 556 N VAL A 40 1.758 4.722 -0.548 1.00 0.00 N ATOM 557 CA VAL A 40 2.002 3.497 -1.299 1.00 0.00 C ATOM 558 C VAL A 40 3.230 3.635 -2.193 1.00 0.00 C ATOM 559 O VAL A 40 3.695 4.744 -2.459 1.00 0.00 O ATOM 560 CB VAL A 40 0.788 3.121 -2.169 1.00 0.00 C ATOM 561 CG1 VAL A 40 -0.320 2.529 -1.312 1.00 0.00 C ATOM 562 CG2 VAL A 40 0.287 4.335 -2.938 1.00 0.00 C ATOM 0 H VAL A 40 1.966 5.579 -1.060 1.00 0.00 H new ATOM 0 HA VAL A 40 2.175 2.707 -0.568 1.00 0.00 H new ATOM 0 HB VAL A 40 1.100 2.366 -2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.169 2.269 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.047 1.633 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.633 3.260 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.571 4.051 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.009 5.114 -2.235 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.082 4.711 -3.583 1.00 0.00 H new ATOM 572 N CYS A 41 3.750 2.503 -2.654 1.00 0.00 N ATOM 573 CA CYS A 41 4.924 2.496 -3.518 1.00 0.00 C ATOM 574 C CYS A 41 4.529 2.242 -4.970 1.00 0.00 C ATOM 575 O CYS A 41 5.106 2.821 -5.891 1.00 0.00 O ATOM 576 CB CYS A 41 5.918 1.429 -3.054 1.00 0.00 C ATOM 577 SG CYS A 41 5.310 -0.279 -3.227 1.00 0.00 S ATOM 0 H CYS A 41 3.376 1.578 -2.443 1.00 0.00 H new ATOM 0 HA CYS A 41 5.397 3.476 -3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.841 1.534 -3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.168 1.610 -2.009 1.00 0.00 H new ATOM 582 N SER A 42 3.542 1.374 -5.166 1.00 0.00 N ATOM 583 CA SER A 42 3.073 1.041 -6.506 1.00 0.00 C ATOM 584 C SER A 42 1.582 1.336 -6.647 1.00 0.00 C ATOM 585 O SER A 42 0.819 1.212 -5.689 1.00 0.00 O ATOM 586 CB SER A 42 3.344 -0.434 -6.812 1.00 0.00 C ATOM 587 OG SER A 42 4.672 -0.790 -6.471 1.00 0.00 O ATOM 0 H SER A 42 3.052 0.889 -4.415 1.00 0.00 H new ATOM 0 HA SER A 42 3.618 1.659 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.643 -1.058 -6.258 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.173 -0.626 -7.871 1.00 0.00 H new ATOM 0 HG SER A 42 4.783 -0.747 -5.498 1.00 0.00 H new ATOM 593 N LEU A 43 1.175 1.726 -7.850 1.00 0.00 N ATOM 594 CA LEU A 43 -0.224 2.040 -8.120 1.00 0.00 C ATOM 595 C LEU A 43 -1.133 0.901 -7.670 1.00 0.00 C ATOM 596 O LEU A 43 -2.275 1.127 -7.271 1.00 0.00 O ATOM 597 CB LEU A 43 -0.427 2.312 -9.611 1.00 0.00 C ATOM 598 CG LEU A 43 -0.266 3.765 -10.057 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.493 3.893 -11.555 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.223 4.667 -9.291 1.00 0.00 C ATOM 0 H LEU A 43 1.794 1.832 -8.654 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.487 2.935 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.281 1.701 -10.171 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.426 1.977 -9.888 1.00 0.00 H new ATOM 0 HG LEU A 43 0.754 4.081 -9.838 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.374 4.935 -11.853 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.233 3.278 -12.087 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.501 3.558 -11.800 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.095 5.698 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.249 4.351 -9.478 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.012 4.599 -8.224 1.00 0.00 H new ATOM 612 N GLU A 44 -0.618 -0.323 -7.735 1.00 0.00 N ATOM 613 CA GLU A 44 -1.384 -1.496 -7.333 1.00 0.00 C ATOM 614 C GLU A 44 -1.678 -1.467 -5.836 1.00 0.00 C ATOM 615 O GLU A 44 -2.752 -1.877 -5.395 1.00 0.00 O ATOM 616 CB GLU A 44 -0.624 -2.776 -7.690 1.00 0.00 C ATOM 617 CG GLU A 44 -1.349 -4.048 -7.283 1.00 0.00 C ATOM 618 CD GLU A 44 -0.558 -5.300 -7.608 1.00 0.00 C ATOM 619 OE1 GLU A 44 0.513 -5.499 -6.996 1.00 0.00 O ATOM 620 OE2 GLU A 44 -1.008 -6.079 -8.473 1.00 0.00 O ATOM 0 H GLU A 44 0.326 -0.527 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.331 -1.482 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.448 -2.796 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.353 -2.755 -7.208 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.552 -4.019 -6.213 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.313 -4.090 -7.790 1.00 0.00 H new ATOM 627 N CYS A 45 -0.716 -0.980 -5.059 1.00 0.00 N ATOM 628 CA CYS A 45 -0.870 -0.898 -3.612 1.00 0.00 C ATOM 629 C CYS A 45 -1.978 0.082 -3.238 1.00 0.00 C ATOM 630 O CYS A 45 -2.712 -0.132 -2.273 1.00 0.00 O ATOM 631 CB CYS A 45 0.447 -0.467 -2.962 1.00 0.00 C ATOM 632 SG CYS A 45 1.811 -1.653 -3.190 1.00 0.00 S ATOM 0 H CYS A 45 0.179 -0.636 -5.408 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.143 -1.887 -3.244 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.745 0.497 -3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.282 -0.320 -1.895 1.00 0.00 H new ATOM 637 N LYS A 46 -2.095 1.158 -4.008 1.00 0.00 N ATOM 638 CA LYS A 46 -3.114 2.171 -3.761 1.00 0.00 C ATOM 639 C LYS A 46 -4.502 1.541 -3.693 1.00 0.00 C ATOM 640 O LYS A 46 -5.152 1.561 -2.649 1.00 0.00 O ATOM 641 CB LYS A 46 -3.079 3.238 -4.857 1.00 0.00 C ATOM 642 CG LYS A 46 -4.286 4.160 -4.847 1.00 0.00 C ATOM 643 CD LYS A 46 -3.934 5.545 -5.364 1.00 0.00 C ATOM 644 CE LYS A 46 -4.993 6.067 -6.323 1.00 0.00 C ATOM 645 NZ LYS A 46 -4.526 7.273 -7.062 1.00 0.00 N ATOM 0 H LYS A 46 -1.495 1.351 -4.810 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.899 2.640 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.175 3.836 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.015 2.747 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.077 3.731 -5.462 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.677 4.238 -3.833 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.831 6.233 -4.525 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.969 5.512 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.256 5.284 -7.035 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.899 6.310 -5.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.276 7.598 -7.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.299 8.029 -6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.677 7.035 -7.613 1.00 0.00 H new ATOM 659 N ALA A 47 -4.947 0.982 -4.814 1.00 0.00 N ATOM 660 CA ALA A 47 -6.256 0.344 -4.880 1.00 0.00 C ATOM 661 C ALA A 47 -6.334 -0.850 -3.934 1.00 0.00 C ATOM 662 O ALA A 47 -7.404 -1.184 -3.426 1.00 0.00 O ATOM 663 CB ALA A 47 -6.559 -0.090 -6.307 1.00 0.00 C ATOM 0 H ALA A 47 -4.421 0.958 -5.688 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.004 1.072 -4.566 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.539 -0.565 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.554 0.782 -6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.801 -0.798 -6.641 1.00 0.00 H new ATOM 669 N LYS A 48 -5.193 -1.490 -3.702 1.00 0.00 N ATOM 670 CA LYS A 48 -5.130 -2.646 -2.816 1.00 0.00 C ATOM 671 C LYS A 48 -5.559 -2.272 -1.401 1.00 0.00 C ATOM 672 O LYS A 48 -6.072 -3.107 -0.656 1.00 0.00 O ATOM 673 CB LYS A 48 -3.712 -3.223 -2.795 1.00 0.00 C ATOM 674 CG LYS A 48 -3.565 -4.504 -3.598 1.00 0.00 C ATOM 675 CD LYS A 48 -2.415 -5.353 -3.085 1.00 0.00 C ATOM 676 CE LYS A 48 -2.822 -6.164 -1.864 1.00 0.00 C ATOM 677 NZ LYS A 48 -2.650 -7.627 -2.087 1.00 0.00 N ATOM 0 H LYS A 48 -4.299 -1.227 -4.116 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.817 -3.401 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.020 -2.477 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.423 -3.416 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.492 -5.075 -3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.399 -4.260 -4.647 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.078 -6.025 -3.874 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.572 -4.710 -2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.224 -5.855 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.863 -5.954 -1.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.938 -8.145 -1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.240 -7.928 -2.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.652 -7.831 -2.296 1.00 0.00 H new ATOM 691 N HIS A 49 -5.346 -1.011 -1.037 1.00 0.00 N ATOM 692 CA HIS A 49 -5.712 -0.526 0.289 1.00 0.00 C ATOM 693 C HIS A 49 -7.105 0.098 0.273 1.00 0.00 C ATOM 694 O HIS A 49 -7.891 -0.091 1.203 1.00 0.00 O ATOM 695 CB HIS A 49 -4.688 0.497 0.782 1.00 0.00 C ATOM 696 CG HIS A 49 -5.096 1.192 2.044 1.00 0.00 C ATOM 697 ND1 HIS A 49 -4.829 0.688 3.300 1.00 0.00 N ATOM 698 CD2 HIS A 49 -5.752 2.359 2.240 1.00 0.00 C ATOM 699 CE1 HIS A 49 -5.306 1.514 4.214 1.00 0.00 C ATOM 700 NE2 HIS A 49 -5.871 2.537 3.597 1.00 0.00 N ATOM 0 H HIS A 49 -4.922 -0.307 -1.641 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.721 -1.377 0.971 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.735 -0.005 0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.526 1.242 0.003 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.115 3.027 1.472 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.245 1.377 5.283 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -6.322 3.330 4.054 1.00 0.00 H new ATOM 708 N LEU A 50 -7.403 0.841 -0.787 1.00 0.00 N ATOM 709 CA LEU A 50 -8.701 1.493 -0.923 1.00 0.00 C ATOM 710 C LEU A 50 -9.831 0.469 -0.894 1.00 0.00 C ATOM 711 O LEU A 50 -10.756 0.572 -0.088 1.00 0.00 O ATOM 712 CB LEU A 50 -8.756 2.295 -2.224 1.00 0.00 C ATOM 713 CG LEU A 50 -7.811 3.494 -2.315 1.00 0.00 C ATOM 714 CD1 LEU A 50 -8.061 4.274 -3.597 1.00 0.00 C ATOM 715 CD2 LEU A 50 -7.974 4.395 -1.100 1.00 0.00 C ATOM 0 H LEU A 50 -6.764 1.007 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.830 2.171 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.536 1.621 -3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.777 2.651 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.786 3.124 -2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.380 5.123 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.893 3.625 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.090 4.633 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.294 5.243 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.001 4.757 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.744 3.832 -0.196 1.00 0.00 H new ATOM 727 N LEU A 51 -9.748 -0.520 -1.778 1.00 0.00 N ATOM 728 CA LEU A 51 -10.762 -1.565 -1.853 1.00 0.00 C ATOM 729 C LEU A 51 -10.797 -2.384 -0.566 1.00 0.00 C ATOM 730 O LEU A 51 -11.753 -3.116 -0.311 1.00 0.00 O ATOM 731 CB LEU A 51 -10.490 -2.483 -3.047 1.00 0.00 C ATOM 732 CG LEU A 51 -9.858 -3.836 -2.722 1.00 0.00 C ATOM 733 CD1 LEU A 51 -9.806 -4.713 -3.964 1.00 0.00 C ATOM 734 CD2 LEU A 51 -8.463 -3.648 -2.142 1.00 0.00 C ATOM 0 H LEU A 51 -8.989 -0.620 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.732 -1.086 -1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.432 -2.660 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.837 -1.957 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.477 -4.334 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.353 -5.672 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.817 -4.876 -4.337 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.211 -4.220 -4.733 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.028 -4.622 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.835 -3.129 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.526 -3.058 -1.227 1.00 0.00 H new ATOM 746 N GLN A 52 -9.750 -2.252 0.242 1.00 0.00 N ATOM 747 CA GLN A 52 -9.663 -2.978 1.503 1.00 0.00 C ATOM 748 C GLN A 52 -10.255 -2.159 2.645 1.00 0.00 C ATOM 749 O GLN A 52 -10.660 -2.707 3.670 1.00 0.00 O ATOM 750 CB GLN A 52 -8.207 -3.330 1.813 1.00 0.00 C ATOM 751 CG GLN A 52 -7.790 -4.700 1.304 1.00 0.00 C ATOM 752 CD GLN A 52 -7.804 -5.756 2.392 1.00 0.00 C ATOM 753 OE1 GLN A 52 -8.442 -6.800 2.251 1.00 0.00 O ATOM 754 NE2 GLN A 52 -7.100 -5.490 3.486 1.00 0.00 N ATOM 0 H GLN A 52 -8.951 -1.649 0.046 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.239 -3.898 1.404 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.557 -2.574 1.371 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.054 -3.290 2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.460 -5.004 0.499 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.789 -4.636 0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.586 -4.612 3.561 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -7.073 -6.164 4.252 1.00 0.00 H new ATOM 763 N VAL A 53 -10.302 -0.844 2.461 1.00 0.00 N ATOM 764 CA VAL A 53 -10.846 0.051 3.475 1.00 0.00 C ATOM 765 C VAL A 53 -12.369 0.075 3.427 1.00 0.00 C ATOM 766 O VAL A 53 -13.028 0.396 4.417 1.00 0.00 O ATOM 767 CB VAL A 53 -10.315 1.487 3.300 1.00 0.00 C ATOM 768 CG1 VAL A 53 -10.959 2.421 4.312 1.00 0.00 C ATOM 769 CG2 VAL A 53 -8.799 1.513 3.427 1.00 0.00 C ATOM 0 H VAL A 53 -9.970 -0.374 1.619 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.522 -0.333 4.442 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.579 1.835 2.301 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.572 3.430 4.173 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.039 2.424 4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.728 2.079 5.321 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.441 2.535 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.510 1.146 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.359 0.877 2.659 1.00 0.00 H new ATOM 779 N LYS A 54 -12.925 -0.267 2.270 1.00 0.00 N ATOM 780 CA LYS A 54 -14.372 -0.287 2.091 1.00 0.00 C ATOM 781 C LYS A 54 -14.948 -1.646 2.473 1.00 0.00 C ATOM 782 O LYS A 54 -16.084 -1.740 2.938 1.00 0.00 O ATOM 783 CB LYS A 54 -14.732 0.043 0.641 1.00 0.00 C ATOM 784 CG LYS A 54 -14.274 1.422 0.199 1.00 0.00 C ATOM 785 CD LYS A 54 -15.110 2.519 0.836 1.00 0.00 C ATOM 786 CE LYS A 54 -15.546 3.555 -0.189 1.00 0.00 C ATOM 787 NZ LYS A 54 -15.441 4.941 0.345 1.00 0.00 N ATOM 0 H LYS A 54 -12.395 -0.535 1.441 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.805 0.469 2.747 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.287 -0.706 -0.014 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.813 -0.028 0.519 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.226 1.561 0.465 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.340 1.497 -0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.989 2.080 1.308 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.535 3.005 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.930 3.463 -1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.575 3.358 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -15.747 5.618 -0.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.048 5.037 1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.454 5.138 0.608 1.00 0.00 H new ATOM 801 N GLU A 55 -14.157 -2.696 2.275 1.00 0.00 N ATOM 802 CA GLU A 55 -14.590 -4.050 2.600 1.00 0.00 C ATOM 803 C GLU A 55 -14.489 -4.309 4.100 1.00 0.00 C ATOM 804 O GLU A 55 -15.140 -5.209 4.632 1.00 0.00 O ATOM 805 CB GLU A 55 -13.749 -5.076 1.837 1.00 0.00 C ATOM 806 CG GLU A 55 -12.337 -5.228 2.377 1.00 0.00 C ATOM 807 CD GLU A 55 -12.170 -6.469 3.232 1.00 0.00 C ATOM 808 OE1 GLU A 55 -13.123 -6.820 3.959 1.00 0.00 O ATOM 809 OE2 GLU A 55 -11.088 -7.089 3.174 1.00 0.00 O ATOM 0 H GLU A 55 -13.214 -2.635 1.891 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.633 -4.151 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.249 -6.044 1.875 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.698 -4.784 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.636 -5.268 1.544 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.081 -4.348 2.967 1.00 0.00 H new ATOM 816 N LYS A 56 -13.669 -3.513 4.778 1.00 0.00 N ATOM 817 CA LYS A 56 -13.481 -3.653 6.217 1.00 0.00 C ATOM 818 C LYS A 56 -14.746 -3.258 6.971 1.00 0.00 C ATOM 819 O LYS A 56 -14.992 -3.731 8.080 1.00 0.00 O ATOM 820 CB LYS A 56 -12.305 -2.793 6.685 1.00 0.00 C ATOM 821 CG LYS A 56 -12.617 -1.307 6.727 1.00 0.00 C ATOM 822 CD LYS A 56 -12.928 -0.843 8.140 1.00 0.00 C ATOM 823 CE LYS A 56 -11.820 0.040 8.693 1.00 0.00 C ATOM 824 NZ LYS A 56 -11.592 -0.200 10.145 1.00 0.00 N ATOM 0 H LYS A 56 -13.123 -2.763 4.353 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.264 -4.700 6.430 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.000 -3.120 7.679 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.457 -2.959 6.020 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.769 -0.745 6.337 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.466 -1.094 6.078 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -13.869 -0.293 8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.062 -1.710 8.788 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.897 -0.149 8.144 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.077 1.087 8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.830 0.421 10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.465 0.005 10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.322 -1.193 10.295 1.00 0.00 H new ATOM 838 N GLU A 57 -15.546 -2.388 6.362 1.00 0.00 N ATOM 839 CA GLU A 57 -16.786 -1.930 6.978 1.00 0.00 C ATOM 840 C GLU A 57 -17.790 -3.074 7.095 1.00 0.00 C ATOM 841 O GLU A 57 -18.665 -3.058 7.960 1.00 0.00 O ATOM 842 CB GLU A 57 -17.393 -0.785 6.164 1.00 0.00 C ATOM 843 CG GLU A 57 -17.636 0.476 6.975 1.00 0.00 C ATOM 844 CD GLU A 57 -18.693 0.287 8.045 1.00 0.00 C ATOM 845 OE1 GLU A 57 -18.336 -0.143 9.162 1.00 0.00 O ATOM 846 OE2 GLU A 57 -19.878 0.568 7.767 1.00 0.00 O ATOM 0 H GLU A 57 -15.358 -1.987 5.443 1.00 0.00 H new ATOM 0 HA GLU A 57 -16.553 -1.570 7.980 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.729 -0.550 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.337 -1.118 5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.702 0.788 7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -17.941 1.280 6.306 1.00 0.00 H new ATOM 853 N GLU A 58 -17.655 -4.063 6.218 1.00 0.00 N ATOM 854 CA GLU A 58 -18.551 -5.214 6.222 1.00 0.00 C ATOM 855 C GLU A 58 -18.439 -5.986 7.534 1.00 0.00 C ATOM 856 O GLU A 58 -17.389 -5.990 8.177 1.00 0.00 O ATOM 857 CB GLU A 58 -18.236 -6.139 5.044 1.00 0.00 C ATOM 858 CG GLU A 58 -19.473 -6.704 4.367 1.00 0.00 C ATOM 859 CD GLU A 58 -19.266 -8.119 3.863 1.00 0.00 C ATOM 860 OE1 GLU A 58 -18.276 -8.352 3.138 1.00 0.00 O ATOM 861 OE2 GLU A 58 -20.094 -8.994 4.192 1.00 0.00 O ATOM 0 H GLU A 58 -16.935 -4.091 5.496 1.00 0.00 H new ATOM 0 HA GLU A 58 -19.572 -4.847 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -17.648 -5.590 4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.616 -6.964 5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.306 -6.691 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.751 -6.062 3.532 1.00 0.00 H new ATOM 868 N LYS A 59 -19.528 -6.639 7.924 1.00 0.00 N ATOM 869 CA LYS A 59 -19.554 -7.416 9.158 1.00 0.00 C ATOM 870 C LYS A 59 -18.565 -8.575 9.091 1.00 0.00 C ATOM 871 O LYS A 59 -17.618 -8.642 9.875 1.00 0.00 O ATOM 872 CB LYS A 59 -20.964 -7.949 9.420 1.00 0.00 C ATOM 873 CG LYS A 59 -21.403 -7.822 10.868 1.00 0.00 C ATOM 874 CD LYS A 59 -22.751 -7.129 10.984 1.00 0.00 C ATOM 875 CE LYS A 59 -22.965 -6.556 12.376 1.00 0.00 C ATOM 876 NZ LYS A 59 -23.685 -5.253 12.335 1.00 0.00 N ATOM 0 H LYS A 59 -20.405 -6.646 7.403 1.00 0.00 H new ATOM 0 HA LYS A 59 -19.263 -6.759 9.978 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -21.670 -7.412 8.787 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -21.007 -8.998 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -21.462 -8.812 11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -20.655 -7.261 11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -22.815 -6.329 10.246 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -23.547 -7.838 10.755 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -23.533 -7.266 12.978 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -22.001 -6.423 12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -23.811 -4.896 13.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.131 -4.568 11.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.616 -5.385 11.891 1.00 0.00 H new ATOM 890 N SER A 60 -18.791 -9.487 8.150 1.00 0.00 N ATOM 891 CA SER A 60 -17.921 -10.645 7.983 1.00 0.00 C ATOM 892 C SER A 60 -17.927 -11.514 9.238 1.00 0.00 C ATOM 893 O SER A 60 -18.996 -11.938 9.672 1.00 0.00 O ATOM 894 CB SER A 60 -16.493 -10.196 7.667 1.00 0.00 C ATOM 895 OG SER A 60 -15.974 -10.897 6.551 1.00 0.00 O ATOM 0 H SER A 60 -19.569 -9.446 7.492 1.00 0.00 H new ATOM 0 HA SER A 60 -18.301 -11.237 7.150 1.00 0.00 H new ATOM 0 HB2 SER A 60 -16.481 -9.125 7.465 1.00 0.00 H new ATOM 0 HB3 SER A 60 -15.855 -10.364 8.535 1.00 0.00 H new ATOM 0 HG SER A 60 -15.061 -10.591 6.368 1.00 0.00 H new TER 901 SER A 60 HETATM 902 ZN ZN A 201 3.722 -1.117 -1.924 1.00 0.00 ZN