USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 624 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 25 LYS NZ :NH3+ -165:sc= 0.966 (180deg=0.0429) USER MOD Set 1.2: A 51 GLN : amide:sc= 0.769 K(o=1.7,f=-1.8) USER MOD Set 2.1: A -2 SER N :NH3+ 179:sc= 2.37 (180deg=0.991) USER MOD Set 2.2: A -2 SER OG : rot -130:sc= 1.05 USER MOD Set 2.3: A 74 SER OG : rot 143:sc= 1.5 USER MOD Set 2.4: A 75 GLN : amide:sc= 0.745 K(o=5.7,f=-6.1!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -174:sc= 0.974 (180deg=0.944) USER MOD Set 3.2: A 21 ASN : amide:sc= 1.48 K(o=2.5,f=0.94) USER MOD Set 4.1: A 0 GLN : amide:sc= 2.78 K(o=3.3,f=1.4) USER MOD Set 4.2: A 67 GLN : amide:sc= 0.567 K(o=3.3,f=1.4) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0136 USER MOD Single : A 8 SER OG : rot 69:sc= 1.2 USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0271) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 3.26 K(o=3.3,f=-4.8!) USER MOD Single : A 24 SER OG : rot 68:sc= 1.33 USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00589) USER MOD Single : A 30 GLN : amide:sc= 0.645 K(o=0.64,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.35 K(o=-0.35,f=-3!) USER MOD Single : A 38 SER OG : rot 180:sc= 0.16 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= 0.714 (180deg=0.703) USER MOD Single : A 56 ASN : amide:sc= -0.0195 X(o=-0.02,f=0) USER MOD Single : A 62 SER OG : rot -179:sc= 1.2 USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.018) USER MOD Single : A 72 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.233) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -2 -0.310 6.205 3.930 1.00 0.00 N ATOM 2 CA SER A -2 -0.542 7.509 4.562 1.00 0.00 C ATOM 3 C SER A -2 -0.464 8.615 3.515 1.00 0.00 C ATOM 4 O SER A -2 0.130 8.399 2.462 1.00 0.00 O ATOM 5 CB SER A -2 0.493 7.696 5.669 1.00 0.00 C ATOM 6 OG SER A -2 0.523 6.488 6.402 1.00 0.00 O ATOM 0 H1 SER A -2 -0.348 5.458 4.652 1.00 0.00 H new ATOM 0 H2 SER A -2 -1.043 6.031 3.213 1.00 0.00 H new ATOM 0 H3 SER A -2 0.626 6.201 3.476 1.00 0.00 H new ATOM 0 HA SER A -2 -1.538 7.555 5.002 1.00 0.00 H new ATOM 0 HB2 SER A -2 1.474 7.919 5.249 1.00 0.00 H new ATOM 0 HB3 SER A -2 0.225 8.533 6.313 1.00 0.00 H new ATOM 0 HG SER A -2 0.443 6.684 7.359 1.00 0.00 H new ATOM 14 N ALA A -1 -1.056 9.781 3.793 1.00 0.00 N ATOM 15 CA ALA A -1 -1.063 10.914 2.875 1.00 0.00 C ATOM 16 C ALA A -1 0.318 11.575 2.831 1.00 0.00 C ATOM 17 O ALA A -1 0.505 12.680 3.340 1.00 0.00 O ATOM 18 CB ALA A -1 -2.156 11.902 3.296 1.00 0.00 C ATOM 0 H ALA A -1 -1.546 9.962 4.669 1.00 0.00 H new ATOM 0 HA ALA A -1 -1.286 10.569 1.865 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -2.163 12.750 2.611 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -3.126 11.405 3.269 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -1.957 12.255 4.308 1.00 0.00 H new ATOM 24 N GLN A 0 1.292 10.889 2.230 1.00 0.00 N ATOM 25 CA GLN A 0 2.644 11.407 2.110 1.00 0.00 C ATOM 26 C GLN A 0 2.633 12.684 1.267 1.00 0.00 C ATOM 27 O GLN A 0 2.008 12.719 0.209 1.00 0.00 O ATOM 28 CB GLN A 0 3.569 10.367 1.457 1.00 0.00 C ATOM 29 CG GLN A 0 5.032 10.702 1.782 1.00 0.00 C ATOM 30 CD GLN A 0 6.024 10.275 0.701 1.00 0.00 C ATOM 31 OE1 GLN A 0 6.578 9.180 0.745 1.00 0.00 O ATOM 32 NE2 GLN A 0 6.274 11.140 -0.275 1.00 0.00 N ATOM 0 H GLN A 0 1.161 9.965 1.817 1.00 0.00 H new ATOM 0 HA GLN A 0 3.020 11.629 3.109 1.00 0.00 H new ATOM 0 HB2 GLN A 0 3.325 9.369 1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 0 3.419 10.359 0.377 1.00 0.00 H new ATOM 0 HG2 GLN A 0 5.121 11.777 1.938 1.00 0.00 H new ATOM 0 HG3 GLN A 0 5.304 10.220 2.721 1.00 0.00 H new ATOM 0 HE21 GLN A 0 5.801 12.043 -0.289 1.00 0.00 H new ATOM 0 HE22 GLN A 0 6.939 10.901 -1.010 1.00 0.00 H new ATOM 41 N LYS A 1 3.338 13.724 1.720 1.00 0.00 N ATOM 42 CA LYS A 1 3.458 14.956 0.955 1.00 0.00 C ATOM 43 C LYS A 1 4.231 14.618 -0.325 1.00 0.00 C ATOM 44 O LYS A 1 5.034 13.681 -0.344 1.00 0.00 O ATOM 45 CB LYS A 1 4.156 16.037 1.793 1.00 0.00 C ATOM 46 CG LYS A 1 3.188 16.791 2.719 1.00 0.00 C ATOM 47 CD LYS A 1 2.446 15.877 3.704 1.00 0.00 C ATOM 48 CE LYS A 1 1.572 16.705 4.653 1.00 0.00 C ATOM 49 NZ LYS A 1 0.798 15.836 5.556 1.00 0.00 N ATOM 0 H LYS A 1 3.832 13.732 2.612 1.00 0.00 H new ATOM 0 HA LYS A 1 2.481 15.361 0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 1 4.940 15.575 2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 1 4.643 16.749 1.126 1.00 0.00 H new ATOM 0 HG2 LYS A 1 3.745 17.541 3.281 1.00 0.00 H new ATOM 0 HG3 LYS A 1 2.458 17.325 2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.826 15.168 3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.165 15.293 4.279 1.00 0.00 H new ATOM 0 HE2 LYS A 1 2.201 17.376 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 1 0.892 17.330 4.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.215 16.422 6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 0.182 15.214 4.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 1.449 15.258 6.124 1.00 0.00 H new ATOM 63 N SER A 2 3.984 15.360 -1.404 1.00 0.00 N ATOM 64 CA SER A 2 4.613 15.094 -2.683 1.00 0.00 C ATOM 65 C SER A 2 6.139 15.217 -2.583 1.00 0.00 C ATOM 66 O SER A 2 6.628 16.081 -1.849 1.00 0.00 O ATOM 67 CB SER A 2 4.040 16.057 -3.724 1.00 0.00 C ATOM 68 OG SER A 2 2.638 16.148 -3.571 1.00 0.00 O ATOM 0 H SER A 2 3.346 16.156 -1.410 1.00 0.00 H new ATOM 0 HA SER A 2 4.400 14.070 -2.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.492 17.042 -3.609 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.284 15.709 -4.728 1.00 0.00 H new ATOM 0 HG SER A 2 2.276 16.767 -4.239 1.00 0.00 H new ATOM 74 N PRO A 3 6.903 14.386 -3.319 1.00 0.00 N ATOM 75 CA PRO A 3 8.355 14.429 -3.333 1.00 0.00 C ATOM 76 C PRO A 3 8.908 15.853 -3.391 1.00 0.00 C ATOM 77 O PRO A 3 9.786 16.192 -2.610 1.00 0.00 O ATOM 78 CB PRO A 3 8.783 13.599 -4.545 1.00 0.00 C ATOM 79 CG PRO A 3 7.675 12.554 -4.633 1.00 0.00 C ATOM 80 CD PRO A 3 6.429 13.331 -4.205 1.00 0.00 C ATOM 0 HA PRO A 3 8.760 14.023 -2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 3 8.845 14.203 -5.450 1.00 0.00 H new ATOM 0 HB3 PRO A 3 9.762 13.142 -4.400 1.00 0.00 H new ATOM 0 HG2 PRO A 3 7.575 12.157 -5.643 1.00 0.00 H new ATOM 0 HG3 PRO A 3 7.867 11.707 -3.975 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.913 13.749 -5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.719 12.681 -3.694 1.00 0.00 H new ATOM 88 N ALA A 4 8.395 16.690 -4.300 1.00 0.00 N ATOM 89 CA ALA A 4 8.844 18.070 -4.452 1.00 0.00 C ATOM 90 C ALA A 4 8.753 18.888 -3.168 1.00 0.00 C ATOM 91 O ALA A 4 9.659 19.642 -2.812 1.00 0.00 O ATOM 92 CB ALA A 4 8.083 18.743 -5.598 1.00 0.00 C ATOM 0 H ALA A 4 7.655 16.424 -4.950 1.00 0.00 H new ATOM 0 HA ALA A 4 9.906 18.033 -4.695 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.423 19.773 -5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 4 8.268 18.201 -6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.015 18.735 -5.380 1.00 0.00 H new ATOM 98 N GLU A 5 7.642 18.717 -2.470 1.00 0.00 N ATOM 99 CA GLU A 5 7.361 19.410 -1.219 1.00 0.00 C ATOM 100 C GLU A 5 8.401 18.955 -0.199 1.00 0.00 C ATOM 101 O GLU A 5 9.089 19.769 0.421 1.00 0.00 O ATOM 102 CB GLU A 5 5.940 19.103 -0.722 1.00 0.00 C ATOM 103 CG GLU A 5 4.854 19.579 -1.693 1.00 0.00 C ATOM 104 CD GLU A 5 3.461 19.220 -1.180 1.00 0.00 C ATOM 105 OE1 GLU A 5 3.215 18.006 -1.002 1.00 0.00 O ATOM 106 OE2 GLU A 5 2.671 20.163 -0.964 1.00 0.00 O ATOM 0 H GLU A 5 6.897 18.083 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 5 7.417 20.488 -1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.838 18.029 -0.569 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.788 19.579 0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 5 4.929 20.658 -1.826 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.013 19.125 -2.671 1.00 0.00 H new ATOM 113 N LEU A 6 8.516 17.633 -0.054 1.00 0.00 N ATOM 114 CA LEU A 6 9.470 17.029 0.862 1.00 0.00 C ATOM 115 C LEU A 6 10.880 17.525 0.576 1.00 0.00 C ATOM 116 O LEU A 6 11.622 17.892 1.483 1.00 0.00 O ATOM 117 CB LEU A 6 9.367 15.499 0.816 1.00 0.00 C ATOM 118 CG LEU A 6 8.053 14.961 1.404 1.00 0.00 C ATOM 119 CD1 LEU A 6 8.042 13.439 1.258 1.00 0.00 C ATOM 120 CD2 LEU A 6 7.895 15.306 2.891 1.00 0.00 C ATOM 0 H LEU A 6 7.950 16.958 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 6 9.226 17.336 1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.457 15.166 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.205 15.069 1.364 1.00 0.00 H new ATOM 0 HG LEU A 6 7.230 15.426 0.861 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.115 13.041 1.671 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.113 13.174 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.890 13.016 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.951 14.904 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.720 14.871 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.902 16.389 3.016 1.00 0.00 H new ATOM 132 N LYS A 7 11.221 17.537 -0.704 1.00 0.00 N ATOM 133 CA LYS A 7 12.501 17.973 -1.234 1.00 0.00 C ATOM 134 C LYS A 7 12.741 19.438 -0.876 1.00 0.00 C ATOM 135 O LYS A 7 13.839 19.786 -0.460 1.00 0.00 O ATOM 136 CB LYS A 7 12.595 17.703 -2.743 1.00 0.00 C ATOM 137 CG LYS A 7 14.048 17.756 -3.240 1.00 0.00 C ATOM 138 CD LYS A 7 14.165 17.038 -4.592 1.00 0.00 C ATOM 139 CE LYS A 7 15.618 16.946 -5.071 1.00 0.00 C ATOM 140 NZ LYS A 7 16.152 18.256 -5.481 1.00 0.00 N ATOM 0 H LYS A 7 10.581 17.228 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 7 13.299 17.391 -0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.170 16.724 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.999 18.439 -3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.370 18.793 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.708 17.286 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.747 16.035 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.571 17.568 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 7 16.237 16.537 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.679 16.252 -5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 17.099 18.132 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.521 18.682 -6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.214 18.881 -4.652 1.00 0.00 H new ATOM 154 N SER A 8 11.731 20.297 -1.017 1.00 0.00 N ATOM 155 CA SER A 8 11.860 21.708 -0.671 1.00 0.00 C ATOM 156 C SER A 8 12.194 21.870 0.818 1.00 0.00 C ATOM 157 O SER A 8 13.171 22.531 1.174 1.00 0.00 O ATOM 158 CB SER A 8 10.580 22.461 -1.046 1.00 0.00 C ATOM 159 OG SER A 8 10.307 22.311 -2.425 1.00 0.00 O ATOM 0 H SER A 8 10.811 20.036 -1.371 1.00 0.00 H new ATOM 0 HA SER A 8 12.683 22.140 -1.240 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.743 22.083 -0.460 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.688 23.518 -0.803 1.00 0.00 H new ATOM 0 HG SER A 8 10.058 21.381 -2.610 1.00 0.00 H new ATOM 165 N ILE A 9 11.387 21.261 1.695 1.00 0.00 N ATOM 166 CA ILE A 9 11.602 21.344 3.142 1.00 0.00 C ATOM 167 C ILE A 9 13.002 20.803 3.462 1.00 0.00 C ATOM 168 O ILE A 9 13.798 21.435 4.154 1.00 0.00 O ATOM 169 CB ILE A 9 10.490 20.582 3.894 1.00 0.00 C ATOM 170 CG1 ILE A 9 9.107 21.189 3.588 1.00 0.00 C ATOM 171 CG2 ILE A 9 10.744 20.625 5.410 1.00 0.00 C ATOM 172 CD1 ILE A 9 7.953 20.292 4.049 1.00 0.00 C ATOM 0 H ILE A 9 10.577 20.704 1.425 1.00 0.00 H new ATOM 0 HA ILE A 9 11.550 22.380 3.477 1.00 0.00 H new ATOM 0 HB ILE A 9 10.503 19.546 3.554 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.025 22.160 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.020 21.363 2.516 1.00 0.00 H new ATOM 0 HG21 ILE A 9 9.952 20.084 5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.705 20.161 5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 9 10.755 21.661 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.003 20.769 3.808 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.015 19.330 3.541 1.00 0.00 H new ATOM 0 HD13 ILE A 9 8.019 20.139 5.126 1.00 0.00 H new ATOM 184 N PHE A 10 13.298 19.621 2.930 1.00 0.00 N ATOM 185 CA PHE A 10 14.575 18.944 3.063 1.00 0.00 C ATOM 186 C PHE A 10 15.722 19.888 2.680 1.00 0.00 C ATOM 187 O PHE A 10 16.669 20.051 3.445 1.00 0.00 O ATOM 188 CB PHE A 10 14.502 17.697 2.181 1.00 0.00 C ATOM 189 CG PHE A 10 15.804 17.016 1.858 1.00 0.00 C ATOM 190 CD1 PHE A 10 16.242 15.940 2.646 1.00 0.00 C ATOM 191 CD2 PHE A 10 16.468 17.333 0.660 1.00 0.00 C ATOM 192 CE1 PHE A 10 17.360 15.197 2.244 1.00 0.00 C ATOM 193 CE2 PHE A 10 17.592 16.597 0.265 1.00 0.00 C ATOM 194 CZ PHE A 10 18.046 15.544 1.072 1.00 0.00 C ATOM 0 H PHE A 10 12.626 19.092 2.374 1.00 0.00 H new ATOM 0 HA PHE A 10 14.777 18.646 4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.852 16.972 2.671 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.021 17.973 1.242 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.720 15.686 3.557 1.00 0.00 H new ATOM 0 HD2 PHE A 10 16.111 18.145 0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 10 17.693 14.358 2.837 1.00 0.00 H new ATOM 0 HE2 PHE A 10 18.105 16.839 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.932 14.996 0.788 1.00 0.00 H new ATOM 204 N GLU A 11 15.634 20.526 1.509 1.00 0.00 N ATOM 205 CA GLU A 11 16.637 21.466 1.030 1.00 0.00 C ATOM 206 C GLU A 11 16.818 22.611 2.024 1.00 0.00 C ATOM 207 O GLU A 11 17.952 22.976 2.329 1.00 0.00 O ATOM 208 CB GLU A 11 16.287 21.977 -0.373 1.00 0.00 C ATOM 209 CG GLU A 11 16.683 20.919 -1.412 1.00 0.00 C ATOM 210 CD GLU A 11 16.291 21.273 -2.841 1.00 0.00 C ATOM 211 OE1 GLU A 11 15.697 22.355 -3.038 1.00 0.00 O ATOM 212 OE2 GLU A 11 16.599 20.435 -3.717 1.00 0.00 O ATOM 0 H GLU A 11 14.854 20.399 0.864 1.00 0.00 H new ATOM 0 HA GLU A 11 17.591 20.944 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.220 22.187 -0.440 1.00 0.00 H new ATOM 0 HB3 GLU A 11 16.809 22.913 -0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 11 17.762 20.769 -1.369 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.219 19.970 -1.144 1.00 0.00 H new ATOM 219 N LYS A 12 15.716 23.172 2.536 1.00 0.00 N ATOM 220 CA LYS A 12 15.790 24.257 3.509 1.00 0.00 C ATOM 221 C LYS A 12 16.675 23.861 4.700 1.00 0.00 C ATOM 222 O LYS A 12 17.425 24.692 5.210 1.00 0.00 O ATOM 223 CB LYS A 12 14.379 24.695 3.934 1.00 0.00 C ATOM 224 CG LYS A 12 14.358 25.897 4.891 1.00 0.00 C ATOM 225 CD LYS A 12 15.012 27.145 4.281 1.00 0.00 C ATOM 226 CE LYS A 12 14.772 28.388 5.146 1.00 0.00 C ATOM 227 NZ LYS A 12 15.377 28.250 6.483 1.00 0.00 N ATOM 0 H LYS A 12 14.767 22.890 2.291 1.00 0.00 H new ATOM 0 HA LYS A 12 16.263 25.122 3.044 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.803 24.944 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.878 23.854 4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.327 26.126 5.160 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.876 25.633 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.084 26.978 4.172 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.612 27.314 3.281 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.188 29.264 4.647 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.700 28.558 5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.282 29.147 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.892 27.494 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.385 28.012 6.385 1.00 0.00 H new ATOM 241 N TYR A 13 16.609 22.598 5.136 1.00 0.00 N ATOM 242 CA TYR A 13 17.440 22.115 6.234 1.00 0.00 C ATOM 243 C TYR A 13 18.862 21.898 5.725 1.00 0.00 C ATOM 244 O TYR A 13 19.819 22.478 6.236 1.00 0.00 O ATOM 245 CB TYR A 13 16.918 20.776 6.773 1.00 0.00 C ATOM 246 CG TYR A 13 15.803 20.859 7.787 1.00 0.00 C ATOM 247 CD1 TYR A 13 14.651 21.624 7.530 1.00 0.00 C ATOM 248 CD2 TYR A 13 15.912 20.152 8.998 1.00 0.00 C ATOM 249 CE1 TYR A 13 13.650 21.735 8.508 1.00 0.00 C ATOM 250 CE2 TYR A 13 14.958 20.341 9.996 1.00 0.00 C ATOM 251 CZ TYR A 13 13.813 21.117 9.757 1.00 0.00 C ATOM 252 OH TYR A 13 12.841 21.222 10.706 1.00 0.00 O ATOM 0 H TYR A 13 15.986 21.894 4.741 1.00 0.00 H new ATOM 0 HA TYR A 13 17.416 22.857 7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 13 16.572 20.178 5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 13 17.752 20.238 7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 13 14.537 22.126 6.581 1.00 0.00 H new ATOM 0 HD2 TYR A 13 16.731 19.466 9.154 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.752 22.298 8.298 1.00 0.00 H new ATOM 0 HE2 TYR A 13 15.101 19.885 10.965 1.00 0.00 H new ATOM 0 HH TYR A 13 13.115 20.734 11.510 1.00 0.00 H new ATOM 262 N ALA A 14 18.984 21.040 4.714 1.00 0.00 N ATOM 263 CA ALA A 14 20.242 20.651 4.104 1.00 0.00 C ATOM 264 C ALA A 14 21.136 21.840 3.766 1.00 0.00 C ATOM 265 O ALA A 14 22.353 21.731 3.864 1.00 0.00 O ATOM 266 CB ALA A 14 19.948 19.839 2.851 1.00 0.00 C ATOM 0 H ALA A 14 18.178 20.584 4.286 1.00 0.00 H new ATOM 0 HA ALA A 14 20.793 20.054 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 14 20.886 19.540 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.377 18.950 3.119 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.370 20.444 2.152 1.00 0.00 H new ATOM 272 N ALA A 15 20.550 22.973 3.372 1.00 0.00 N ATOM 273 CA ALA A 15 21.289 24.187 3.052 1.00 0.00 C ATOM 274 C ALA A 15 22.205 24.659 4.189 1.00 0.00 C ATOM 275 O ALA A 15 23.129 25.426 3.940 1.00 0.00 O ATOM 276 CB ALA A 15 20.314 25.277 2.609 1.00 0.00 C ATOM 0 H ALA A 15 19.540 23.070 3.267 1.00 0.00 H new ATOM 0 HA ALA A 15 21.963 23.956 2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 15 20.868 26.185 2.370 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.769 24.941 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 15 19.609 25.484 3.414 1.00 0.00 H new ATOM 282 N LYS A 16 21.976 24.207 5.430 1.00 0.00 N ATOM 283 CA LYS A 16 22.853 24.541 6.544 1.00 0.00 C ATOM 284 C LYS A 16 24.211 23.836 6.380 1.00 0.00 C ATOM 285 O LYS A 16 25.212 24.294 6.928 1.00 0.00 O ATOM 286 CB LYS A 16 22.181 24.153 7.869 1.00 0.00 C ATOM 287 CG LYS A 16 20.901 24.969 8.108 1.00 0.00 C ATOM 288 CD LYS A 16 20.287 24.716 9.493 1.00 0.00 C ATOM 289 CE LYS A 16 19.875 23.253 9.689 1.00 0.00 C ATOM 290 NZ LYS A 16 19.103 23.070 10.931 1.00 0.00 N ATOM 0 H LYS A 16 21.188 23.609 5.680 1.00 0.00 H new ATOM 0 HA LYS A 16 23.033 25.616 6.554 1.00 0.00 H new ATOM 0 HB2 LYS A 16 21.940 23.090 7.859 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.877 24.315 8.693 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.127 26.030 8.003 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.169 24.722 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.006 24.995 10.263 1.00 0.00 H new ATOM 0 HD3 LYS A 16 19.415 25.357 9.624 1.00 0.00 H new ATOM 0 HE2 LYS A 16 19.279 22.925 8.837 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.765 22.624 9.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.841 22.069 11.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 19.681 23.360 11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 18.242 23.652 10.893 1.00 0.00 H new ATOM 304 N GLU A 17 24.248 22.726 5.633 1.00 0.00 N ATOM 305 CA GLU A 17 25.442 21.938 5.360 1.00 0.00 C ATOM 306 C GLU A 17 26.115 22.443 4.079 1.00 0.00 C ATOM 307 O GLU A 17 25.584 23.300 3.378 1.00 0.00 O ATOM 308 CB GLU A 17 25.070 20.450 5.238 1.00 0.00 C ATOM 309 CG GLU A 17 24.236 19.989 6.443 1.00 0.00 C ATOM 310 CD GLU A 17 24.041 18.476 6.509 1.00 0.00 C ATOM 311 OE1 GLU A 17 24.328 17.801 5.498 1.00 0.00 O ATOM 312 OE2 GLU A 17 23.613 18.013 7.590 1.00 0.00 O ATOM 0 H GLU A 17 23.413 22.343 5.189 1.00 0.00 H new ATOM 0 HA GLU A 17 26.147 22.047 6.184 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.508 20.286 4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.977 19.850 5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 17 24.721 20.325 7.360 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.259 20.471 6.404 1.00 0.00 H new ATOM 319 N GLY A 18 27.298 21.899 3.771 1.00 0.00 N ATOM 320 CA GLY A 18 28.076 22.278 2.599 1.00 0.00 C ATOM 321 C GLY A 18 27.268 22.203 1.302 1.00 0.00 C ATOM 322 O GLY A 18 27.159 23.191 0.579 1.00 0.00 O ATOM 0 H GLY A 18 27.742 21.176 4.338 1.00 0.00 H new ATOM 0 HA2 GLY A 18 28.451 23.293 2.730 1.00 0.00 H new ATOM 0 HA3 GLY A 18 28.945 21.625 2.519 1.00 0.00 H new ATOM 326 N ASP A 19 26.707 21.026 1.002 1.00 0.00 N ATOM 327 CA ASP A 19 25.911 20.791 -0.196 1.00 0.00 C ATOM 328 C ASP A 19 24.423 20.811 0.182 1.00 0.00 C ATOM 329 O ASP A 19 24.009 20.028 1.039 1.00 0.00 O ATOM 330 CB ASP A 19 26.332 19.478 -0.871 1.00 0.00 C ATOM 331 CG ASP A 19 26.086 18.236 -0.020 1.00 0.00 C ATOM 332 OD1 ASP A 19 26.537 18.235 1.147 1.00 0.00 O ATOM 333 OD2 ASP A 19 25.474 17.293 -0.568 1.00 0.00 O ATOM 0 H ASP A 19 26.798 20.202 1.596 1.00 0.00 H new ATOM 0 HA ASP A 19 26.084 21.582 -0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 19 25.790 19.375 -1.811 1.00 0.00 H new ATOM 0 HB3 ASP A 19 27.392 19.532 -1.118 1.00 0.00 H new ATOM 338 N PRO A 20 23.599 21.680 -0.425 1.00 0.00 N ATOM 339 CA PRO A 20 22.188 21.818 -0.091 1.00 0.00 C ATOM 340 C PRO A 20 21.350 20.655 -0.643 1.00 0.00 C ATOM 341 O PRO A 20 20.414 20.883 -1.411 1.00 0.00 O ATOM 342 CB PRO A 20 21.785 23.172 -0.692 1.00 0.00 C ATOM 343 CG PRO A 20 22.661 23.262 -1.940 1.00 0.00 C ATOM 344 CD PRO A 20 23.971 22.641 -1.455 1.00 0.00 C ATOM 0 HA PRO A 20 22.012 21.785 0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 20 20.724 23.205 -0.939 1.00 0.00 H new ATOM 0 HB3 PRO A 20 21.977 23.994 -0.003 1.00 0.00 H new ATOM 0 HG2 PRO A 20 22.234 22.711 -2.778 1.00 0.00 H new ATOM 0 HG3 PRO A 20 22.796 24.292 -2.271 1.00 0.00 H new ATOM 0 HD2 PRO A 20 24.498 22.152 -2.274 1.00 0.00 H new ATOM 0 HD3 PRO A 20 24.640 23.403 -1.055 1.00 0.00 H new ATOM 352 N ASN A 21 21.653 19.402 -0.273 1.00 0.00 N ATOM 353 CA ASN A 21 20.857 18.267 -0.744 1.00 0.00 C ATOM 354 C ASN A 21 20.981 16.986 0.086 1.00 0.00 C ATOM 355 O ASN A 21 20.761 15.894 -0.436 1.00 0.00 O ATOM 356 CB ASN A 21 21.048 18.019 -2.254 1.00 0.00 C ATOM 357 CG ASN A 21 19.693 17.955 -2.956 1.00 0.00 C ATOM 358 OD1 ASN A 21 19.234 16.900 -3.386 1.00 0.00 O ATOM 359 ND2 ASN A 21 19.037 19.108 -3.056 1.00 0.00 N ATOM 0 H ASN A 21 22.430 19.155 0.340 1.00 0.00 H new ATOM 0 HA ASN A 21 19.823 18.574 -0.584 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.652 18.816 -2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.591 17.087 -2.411 1.00 0.00 H new ATOM 0 HD21 ASN A 21 18.120 19.136 -3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 21 19.451 19.964 -2.687 1.00 0.00 H new ATOM 366 N GLN A 22 21.303 17.109 1.377 1.00 0.00 N ATOM 367 CA GLN A 22 21.372 16.021 2.341 1.00 0.00 C ATOM 368 C GLN A 22 21.238 16.622 3.720 1.00 0.00 C ATOM 369 O GLN A 22 21.593 17.791 3.867 1.00 0.00 O ATOM 370 CB GLN A 22 22.753 15.363 2.418 1.00 0.00 C ATOM 371 CG GLN A 22 23.427 15.114 1.063 1.00 0.00 C ATOM 372 CD GLN A 22 24.723 14.321 1.201 1.00 0.00 C ATOM 373 OE1 GLN A 22 24.761 13.303 1.881 1.00 0.00 O ATOM 374 NE2 GLN A 22 25.799 14.773 0.568 1.00 0.00 N ATOM 0 H GLN A 22 21.532 18.013 1.791 1.00 0.00 H new ATOM 0 HA GLN A 22 20.607 15.305 2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 22 23.406 15.993 3.022 1.00 0.00 H new ATOM 0 HB3 GLN A 22 22.657 14.411 2.940 1.00 0.00 H new ATOM 0 HG2 GLN A 22 22.740 14.574 0.411 1.00 0.00 H new ATOM 0 HG3 GLN A 22 23.637 16.070 0.583 1.00 0.00 H new ATOM 0 HE21 GLN A 22 25.741 15.623 0.008 1.00 0.00 H new ATOM 0 HE22 GLN A 22 26.683 14.270 0.642 1.00 0.00 H new ATOM 383 N LEU A 23 20.823 15.834 4.717 1.00 0.00 N ATOM 384 CA LEU A 23 20.904 16.269 6.093 1.00 0.00 C ATOM 385 C LEU A 23 21.576 15.189 6.941 1.00 0.00 C ATOM 386 O LEU A 23 21.364 14.002 6.693 1.00 0.00 O ATOM 387 CB LEU A 23 19.586 16.683 6.765 1.00 0.00 C ATOM 388 CG LEU A 23 18.266 16.591 6.013 1.00 0.00 C ATOM 389 CD1 LEU A 23 17.913 15.143 5.654 1.00 0.00 C ATOM 390 CD2 LEU A 23 17.149 17.134 6.907 1.00 0.00 C ATOM 0 H LEU A 23 20.432 14.901 4.587 1.00 0.00 H new ATOM 0 HA LEU A 23 21.493 17.185 6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 23 19.483 16.080 7.667 1.00 0.00 H new ATOM 0 HB3 LEU A 23 19.701 17.719 7.085 1.00 0.00 H new ATOM 0 HG LEU A 23 18.367 17.168 5.093 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.964 15.122 5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 23 18.696 14.724 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.828 14.552 6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 23 16.198 17.073 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 23 17.095 16.543 7.821 1.00 0.00 H new ATOM 0 HD23 LEU A 23 17.358 18.174 7.159 1.00 0.00 H new ATOM 402 N SER A 24 22.366 15.602 7.937 1.00 0.00 N ATOM 403 CA SER A 24 23.028 14.714 8.889 1.00 0.00 C ATOM 404 C SER A 24 22.028 14.278 9.970 1.00 0.00 C ATOM 405 O SER A 24 20.845 14.619 9.930 1.00 0.00 O ATOM 406 CB SER A 24 24.226 15.435 9.526 1.00 0.00 C ATOM 407 OG SER A 24 25.013 14.509 10.254 1.00 0.00 O ATOM 0 H SER A 24 22.566 16.588 8.105 1.00 0.00 H new ATOM 0 HA SER A 24 23.391 13.828 8.368 1.00 0.00 H new ATOM 0 HB2 SER A 24 24.830 15.910 8.752 1.00 0.00 H new ATOM 0 HB3 SER A 24 23.875 16.227 10.188 1.00 0.00 H new ATOM 0 HG SER A 24 25.445 13.887 9.632 1.00 0.00 H new ATOM 413 N LYS A 25 22.529 13.537 10.959 1.00 0.00 N ATOM 414 CA LYS A 25 21.770 12.980 12.069 1.00 0.00 C ATOM 415 C LYS A 25 20.962 14.055 12.811 1.00 0.00 C ATOM 416 O LYS A 25 19.741 13.955 12.935 1.00 0.00 O ATOM 417 CB LYS A 25 22.743 12.239 13.005 1.00 0.00 C ATOM 418 CG LYS A 25 22.018 11.386 14.054 1.00 0.00 C ATOM 419 CD LYS A 25 23.004 10.791 15.069 1.00 0.00 C ATOM 420 CE LYS A 25 22.261 10.079 16.210 1.00 0.00 C ATOM 421 NZ LYS A 25 21.525 8.892 15.739 1.00 0.00 N ATOM 0 H LYS A 25 23.520 13.301 11.006 1.00 0.00 H new ATOM 0 HA LYS A 25 21.034 12.274 11.684 1.00 0.00 H new ATOM 0 HB2 LYS A 25 23.397 11.600 12.411 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.380 12.965 13.510 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.281 11.996 14.575 1.00 0.00 H new ATOM 0 HG3 LYS A 25 21.474 10.582 13.559 1.00 0.00 H new ATOM 0 HD2 LYS A 25 23.667 10.086 14.567 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.632 11.583 15.478 1.00 0.00 H new ATOM 0 HE2 LYS A 25 22.976 9.781 16.977 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.564 10.775 16.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 20.845 8.593 16.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 21.014 9.125 14.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.195 8.119 15.553 1.00 0.00 H new ATOM 435 N GLU A 26 21.641 15.086 13.322 1.00 0.00 N ATOM 436 CA GLU A 26 20.992 16.150 14.086 1.00 0.00 C ATOM 437 C GLU A 26 19.957 16.897 13.236 1.00 0.00 C ATOM 438 O GLU A 26 18.898 17.297 13.722 1.00 0.00 O ATOM 439 CB GLU A 26 22.045 17.100 14.687 1.00 0.00 C ATOM 440 CG GLU A 26 21.783 17.388 16.173 1.00 0.00 C ATOM 441 CD GLU A 26 20.461 18.110 16.419 1.00 0.00 C ATOM 442 OE1 GLU A 26 20.460 19.350 16.270 1.00 0.00 O ATOM 443 OE2 GLU A 26 19.479 17.411 16.754 1.00 0.00 O ATOM 0 H GLU A 26 22.649 15.205 13.218 1.00 0.00 H new ATOM 0 HA GLU A 26 20.446 15.697 14.914 1.00 0.00 H new ATOM 0 HB2 GLU A 26 23.036 16.661 14.573 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.046 18.038 14.131 1.00 0.00 H new ATOM 0 HG2 GLU A 26 21.785 16.448 16.725 1.00 0.00 H new ATOM 0 HG3 GLU A 26 22.599 17.992 16.569 1.00 0.00 H new ATOM 450 N GLU A 27 20.254 17.100 11.950 1.00 0.00 N ATOM 451 CA GLU A 27 19.321 17.776 11.065 1.00 0.00 C ATOM 452 C GLU A 27 18.096 16.883 10.868 1.00 0.00 C ATOM 453 O GLU A 27 16.971 17.378 10.944 1.00 0.00 O ATOM 454 CB GLU A 27 20.008 18.211 9.772 1.00 0.00 C ATOM 455 CG GLU A 27 21.045 19.302 10.079 1.00 0.00 C ATOM 456 CD GLU A 27 21.606 19.984 8.834 1.00 0.00 C ATOM 457 OE1 GLU A 27 21.034 19.775 7.743 1.00 0.00 O ATOM 458 OE2 GLU A 27 22.597 20.723 9.010 1.00 0.00 O ATOM 0 H GLU A 27 21.125 16.807 11.508 1.00 0.00 H new ATOM 0 HA GLU A 27 18.968 18.706 11.510 1.00 0.00 H new ATOM 0 HB2 GLU A 27 20.494 17.356 9.301 1.00 0.00 H new ATOM 0 HB3 GLU A 27 19.269 18.587 9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 27 20.587 20.056 10.720 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.867 18.861 10.642 1.00 0.00 H new ATOM 465 N LEU A 28 18.294 15.575 10.652 1.00 0.00 N ATOM 466 CA LEU A 28 17.169 14.661 10.560 1.00 0.00 C ATOM 467 C LEU A 28 16.353 14.760 11.844 1.00 0.00 C ATOM 468 O LEU A 28 15.148 14.940 11.753 1.00 0.00 O ATOM 469 CB LEU A 28 17.583 13.196 10.346 1.00 0.00 C ATOM 470 CG LEU A 28 17.491 12.657 8.910 1.00 0.00 C ATOM 471 CD1 LEU A 28 17.574 11.127 9.004 1.00 0.00 C ATOM 472 CD2 LEU A 28 16.172 12.992 8.196 1.00 0.00 C ATOM 0 H LEU A 28 19.210 15.141 10.541 1.00 0.00 H new ATOM 0 HA LEU A 28 16.589 14.956 9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 28 18.611 13.079 10.688 1.00 0.00 H new ATOM 0 HB3 LEU A 28 16.961 12.569 10.985 1.00 0.00 H new ATOM 0 HG LEU A 28 18.295 13.119 8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 28 17.513 10.697 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 28 18.520 10.842 9.464 1.00 0.00 H new ATOM 0 HD13 LEU A 28 16.748 10.754 9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.188 12.576 7.189 1.00 0.00 H new ATOM 0 HD22 LEU A 28 15.338 12.564 8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 28 16.053 14.074 8.140 1.00 0.00 H new ATOM 484 N LYS A 29 16.976 14.651 13.024 1.00 0.00 N ATOM 485 CA LYS A 29 16.251 14.737 14.292 1.00 0.00 C ATOM 486 C LYS A 29 15.308 15.932 14.261 1.00 0.00 C ATOM 487 O LYS A 29 14.101 15.776 14.445 1.00 0.00 O ATOM 488 CB LYS A 29 17.220 14.851 15.484 1.00 0.00 C ATOM 489 CG LYS A 29 16.501 15.110 16.820 1.00 0.00 C ATOM 490 CD LYS A 29 15.501 14.010 17.221 1.00 0.00 C ATOM 491 CE LYS A 29 16.101 12.600 17.309 1.00 0.00 C ATOM 492 NZ LYS A 29 17.251 12.537 18.226 1.00 0.00 N ATOM 0 H LYS A 29 17.980 14.503 13.124 1.00 0.00 H new ATOM 0 HA LYS A 29 15.673 13.822 14.421 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.801 13.932 15.562 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.926 15.659 15.295 1.00 0.00 H new ATOM 0 HG2 LYS A 29 17.247 15.212 17.608 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.972 16.061 16.757 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.067 14.267 18.188 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.685 13.999 16.498 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.334 11.902 17.644 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.414 12.278 16.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.600 11.559 18.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.009 13.157 17.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.957 12.850 19.173 1.00 0.00 H new ATOM 506 N GLN A 30 15.867 17.121 14.023 1.00 0.00 N ATOM 507 CA GLN A 30 15.072 18.334 13.965 1.00 0.00 C ATOM 508 C GLN A 30 13.921 18.154 12.964 1.00 0.00 C ATOM 509 O GLN A 30 12.764 18.408 13.300 1.00 0.00 O ATOM 510 CB GLN A 30 15.965 19.523 13.601 1.00 0.00 C ATOM 511 CG GLN A 30 16.904 19.902 14.753 1.00 0.00 C ATOM 512 CD GLN A 30 18.039 20.783 14.249 1.00 0.00 C ATOM 513 OE1 GLN A 30 17.974 22.006 14.308 1.00 0.00 O ATOM 514 NE2 GLN A 30 19.090 20.158 13.734 1.00 0.00 N ATOM 0 H GLN A 30 16.865 17.262 13.869 1.00 0.00 H new ATOM 0 HA GLN A 30 14.633 18.537 14.942 1.00 0.00 H new ATOM 0 HB2 GLN A 30 16.554 19.278 12.717 1.00 0.00 H new ATOM 0 HB3 GLN A 30 15.343 20.380 13.342 1.00 0.00 H new ATOM 0 HG2 GLN A 30 16.345 20.427 15.528 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.311 19.000 15.210 1.00 0.00 H new ATOM 0 HE21 GLN A 30 19.111 19.139 13.701 1.00 0.00 H new ATOM 0 HE22 GLN A 30 19.877 20.697 13.372 1.00 0.00 H new ATOM 523 N LEU A 31 14.231 17.717 11.738 1.00 0.00 N ATOM 524 CA LEU A 31 13.236 17.465 10.700 1.00 0.00 C ATOM 525 C LEU A 31 12.082 16.599 11.202 1.00 0.00 C ATOM 526 O LEU A 31 10.909 16.911 11.019 1.00 0.00 O ATOM 527 CB LEU A 31 13.918 16.848 9.469 1.00 0.00 C ATOM 528 CG LEU A 31 13.051 16.894 8.206 1.00 0.00 C ATOM 529 CD1 LEU A 31 13.163 18.244 7.495 1.00 0.00 C ATOM 530 CD2 LEU A 31 13.520 15.800 7.248 1.00 0.00 C ATOM 0 H LEU A 31 15.188 17.528 11.440 1.00 0.00 H new ATOM 0 HA LEU A 31 12.793 18.419 10.414 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.853 17.375 9.278 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.175 15.811 9.687 1.00 0.00 H new ATOM 0 HG LEU A 31 12.012 16.744 8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.535 18.239 6.604 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.835 19.037 8.167 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.200 18.419 7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.911 15.822 6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.564 15.969 6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.420 14.827 7.730 1.00 0.00 H new ATOM 542 N ILE A 32 12.440 15.501 11.847 1.00 0.00 N ATOM 543 CA ILE A 32 11.495 14.535 12.387 1.00 0.00 C ATOM 544 C ILE A 32 10.607 15.182 13.430 1.00 0.00 C ATOM 545 O ILE A 32 9.387 15.117 13.348 1.00 0.00 O ATOM 546 CB ILE A 32 12.162 13.239 12.894 1.00 0.00 C ATOM 547 CG1 ILE A 32 12.962 12.478 11.819 1.00 0.00 C ATOM 548 CG2 ILE A 32 11.086 12.301 13.461 1.00 0.00 C ATOM 549 CD1 ILE A 32 12.277 12.373 10.454 1.00 0.00 C ATOM 0 H ILE A 32 13.415 15.250 12.014 1.00 0.00 H new ATOM 0 HA ILE A 32 10.861 14.214 11.561 1.00 0.00 H new ATOM 0 HB ILE A 32 12.876 13.547 13.658 1.00 0.00 H new ATOM 0 HG12 ILE A 32 13.925 12.971 11.688 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.166 11.472 12.184 1.00 0.00 H new ATOM 0 HG21 ILE A 32 11.555 11.385 13.820 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.572 12.793 14.287 1.00 0.00 H new ATOM 0 HG23 ILE A 32 10.366 12.058 12.679 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.918 11.821 9.767 1.00 0.00 H new ATOM 0 HD12 ILE A 32 11.327 11.850 10.563 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.098 13.373 10.059 1.00 0.00 H new ATOM 561 N GLN A 33 11.230 15.810 14.412 1.00 0.00 N ATOM 562 CA GLN A 33 10.501 16.469 15.490 1.00 0.00 C ATOM 563 C GLN A 33 9.552 17.532 14.924 1.00 0.00 C ATOM 564 O GLN A 33 8.431 17.675 15.403 1.00 0.00 O ATOM 565 CB GLN A 33 11.453 17.076 16.529 1.00 0.00 C ATOM 566 CG GLN A 33 12.333 16.048 17.255 1.00 0.00 C ATOM 567 CD GLN A 33 11.541 14.972 17.989 1.00 0.00 C ATOM 568 OE1 GLN A 33 11.255 15.101 19.173 1.00 0.00 O ATOM 569 NE2 GLN A 33 11.187 13.892 17.295 1.00 0.00 N ATOM 0 H GLN A 33 12.245 15.879 14.488 1.00 0.00 H new ATOM 0 HA GLN A 33 9.906 15.713 16.002 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.097 17.803 16.034 1.00 0.00 H new ATOM 0 HB3 GLN A 33 10.866 17.621 17.268 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.992 15.570 16.530 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.970 16.569 17.970 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.440 13.813 16.310 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.663 13.144 17.748 1.00 0.00 H new ATOM 578 N ALA A 34 10.000 18.280 13.915 1.00 0.00 N ATOM 579 CA ALA A 34 9.198 19.325 13.300 1.00 0.00 C ATOM 580 C ALA A 34 8.035 18.771 12.465 1.00 0.00 C ATOM 581 O ALA A 34 6.879 19.101 12.721 1.00 0.00 O ATOM 582 CB ALA A 34 10.110 20.226 12.463 1.00 0.00 C ATOM 0 H ALA A 34 10.928 18.175 13.505 1.00 0.00 H new ATOM 0 HA ALA A 34 8.734 19.910 14.094 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.516 21.013 11.998 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.867 20.675 13.106 1.00 0.00 H new ATOM 0 HB3 ALA A 34 10.596 19.633 11.689 1.00 0.00 H new ATOM 588 N GLU A 35 8.332 17.952 11.451 1.00 0.00 N ATOM 589 CA GLU A 35 7.337 17.434 10.517 1.00 0.00 C ATOM 590 C GLU A 35 6.615 16.164 10.976 1.00 0.00 C ATOM 591 O GLU A 35 5.423 16.025 10.707 1.00 0.00 O ATOM 592 CB GLU A 35 7.989 17.177 9.147 1.00 0.00 C ATOM 593 CG GLU A 35 8.224 18.460 8.333 1.00 0.00 C ATOM 594 CD GLU A 35 9.227 19.410 8.977 1.00 0.00 C ATOM 595 OE1 GLU A 35 10.425 19.057 8.970 1.00 0.00 O ATOM 596 OE2 GLU A 35 8.779 20.473 9.457 1.00 0.00 O ATOM 0 H GLU A 35 9.280 17.629 11.257 1.00 0.00 H new ATOM 0 HA GLU A 35 6.572 18.208 10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.942 16.670 9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.355 16.502 8.572 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.577 18.190 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.274 18.979 8.204 1.00 0.00 H new ATOM 603 N PHE A 36 7.311 15.229 11.632 1.00 0.00 N ATOM 604 CA PHE A 36 6.745 13.934 12.006 1.00 0.00 C ATOM 605 C PHE A 36 7.009 13.529 13.465 1.00 0.00 C ATOM 606 O PHE A 36 7.591 12.469 13.698 1.00 0.00 O ATOM 607 CB PHE A 36 7.324 12.879 11.044 1.00 0.00 C ATOM 608 CG PHE A 36 7.331 13.261 9.573 1.00 0.00 C ATOM 609 CD1 PHE A 36 6.122 13.499 8.895 1.00 0.00 C ATOM 610 CD2 PHE A 36 8.554 13.419 8.891 1.00 0.00 C ATOM 611 CE1 PHE A 36 6.133 13.864 7.537 1.00 0.00 C ATOM 612 CE2 PHE A 36 8.565 13.778 7.533 1.00 0.00 C ATOM 613 CZ PHE A 36 7.354 13.994 6.852 1.00 0.00 C ATOM 0 H PHE A 36 8.283 15.352 11.917 1.00 0.00 H new ATOM 0 HA PHE A 36 5.660 14.006 11.926 1.00 0.00 H new ATOM 0 HB2 PHE A 36 8.347 12.660 11.348 1.00 0.00 H new ATOM 0 HB3 PHE A 36 6.753 11.958 11.158 1.00 0.00 H new ATOM 0 HD1 PHE A 36 5.183 13.401 9.419 1.00 0.00 H new ATOM 0 HD2 PHE A 36 9.486 13.264 9.414 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.202 14.045 7.020 1.00 0.00 H new ATOM 0 HE2 PHE A 36 9.504 13.888 7.012 1.00 0.00 H new ATOM 0 HZ PHE A 36 7.362 14.259 5.805 1.00 0.00 H new ATOM 623 N PRO A 37 6.589 14.335 14.454 1.00 0.00 N ATOM 624 CA PRO A 37 6.814 14.056 15.859 1.00 0.00 C ATOM 625 C PRO A 37 6.121 12.770 16.300 1.00 0.00 C ATOM 626 O PRO A 37 6.713 11.696 16.380 1.00 0.00 O ATOM 627 CB PRO A 37 6.369 15.311 16.624 1.00 0.00 C ATOM 628 CG PRO A 37 5.421 16.032 15.661 1.00 0.00 C ATOM 629 CD PRO A 37 5.911 15.603 14.278 1.00 0.00 C ATOM 0 HA PRO A 37 7.865 13.861 16.072 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.866 15.051 17.555 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.221 15.939 16.887 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.384 15.740 15.827 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.471 17.114 15.785 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.076 15.503 13.585 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.586 16.348 13.858 1.00 0.00 H new ATOM 637 N SER A 38 4.840 12.917 16.590 1.00 0.00 N ATOM 638 CA SER A 38 3.900 11.907 17.044 1.00 0.00 C ATOM 639 C SER A 38 4.061 10.571 16.316 1.00 0.00 C ATOM 640 O SER A 38 3.965 9.512 16.928 1.00 0.00 O ATOM 641 CB SER A 38 2.488 12.471 16.861 1.00 0.00 C ATOM 642 OG SER A 38 2.501 13.858 17.165 1.00 0.00 O ATOM 0 H SER A 38 4.391 13.829 16.506 1.00 0.00 H new ATOM 0 HA SER A 38 4.096 11.687 18.093 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.149 12.313 15.837 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.787 11.949 17.513 1.00 0.00 H new ATOM 0 HG SER A 38 1.601 14.227 17.048 1.00 0.00 H new ATOM 648 N LEU A 39 4.307 10.626 15.005 1.00 0.00 N ATOM 649 CA LEU A 39 4.465 9.441 14.176 1.00 0.00 C ATOM 650 C LEU A 39 5.634 8.558 14.623 1.00 0.00 C ATOM 651 O LEU A 39 5.586 7.352 14.392 1.00 0.00 O ATOM 652 CB LEU A 39 4.607 9.830 12.698 1.00 0.00 C ATOM 653 CG LEU A 39 3.466 10.713 12.161 1.00 0.00 C ATOM 654 CD1 LEU A 39 3.640 10.901 10.650 1.00 0.00 C ATOM 655 CD2 LEU A 39 2.081 10.108 12.424 1.00 0.00 C ATOM 0 H LEU A 39 4.402 11.502 14.491 1.00 0.00 H new ATOM 0 HA LEU A 39 3.560 8.846 14.299 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.552 10.356 12.562 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.659 8.921 12.099 1.00 0.00 H new ATOM 0 HG LEU A 39 3.520 11.667 12.686 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.834 11.526 10.266 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.598 11.382 10.451 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.612 9.929 10.157 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.313 10.771 12.025 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.010 9.136 11.937 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.935 9.987 13.497 1.00 0.00 H new ATOM 667 N LEU A 40 6.677 9.127 15.239 1.00 0.00 N ATOM 668 CA LEU A 40 7.836 8.369 15.712 1.00 0.00 C ATOM 669 C LEU A 40 8.104 8.519 17.211 1.00 0.00 C ATOM 670 O LEU A 40 8.896 7.764 17.773 1.00 0.00 O ATOM 671 CB LEU A 40 9.066 8.698 14.856 1.00 0.00 C ATOM 672 CG LEU A 40 8.958 8.161 13.417 1.00 0.00 C ATOM 673 CD1 LEU A 40 10.047 8.791 12.544 1.00 0.00 C ATOM 674 CD2 LEU A 40 9.120 6.635 13.367 1.00 0.00 C ATOM 0 H LEU A 40 6.739 10.128 15.423 1.00 0.00 H new ATOM 0 HA LEU A 40 7.601 7.312 15.587 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.202 9.779 14.825 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.954 8.278 15.329 1.00 0.00 H new ATOM 0 HG LEU A 40 7.967 8.422 13.046 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.965 8.407 11.527 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.924 9.874 12.534 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.028 8.541 12.949 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.038 6.294 12.335 1.00 0.00 H new ATOM 0 HD22 LEU A 40 10.097 6.360 13.763 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.340 6.166 13.967 1.00 0.00 H new ATOM 686 N LYS A 41 7.443 9.466 17.872 1.00 0.00 N ATOM 687 CA LYS A 41 7.562 9.685 19.310 1.00 0.00 C ATOM 688 C LYS A 41 6.801 8.584 20.058 1.00 0.00 C ATOM 689 O LYS A 41 5.757 8.823 20.660 1.00 0.00 O ATOM 690 CB LYS A 41 7.059 11.090 19.677 1.00 0.00 C ATOM 691 CG LYS A 41 8.066 12.199 19.333 1.00 0.00 C ATOM 692 CD LYS A 41 9.327 12.215 20.214 1.00 0.00 C ATOM 693 CE LYS A 41 9.018 12.303 21.714 1.00 0.00 C ATOM 694 NZ LYS A 41 10.239 12.550 22.499 1.00 0.00 N ATOM 0 H LYS A 41 6.800 10.113 17.416 1.00 0.00 H new ATOM 0 HA LYS A 41 8.609 9.632 19.609 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.123 11.283 19.154 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.840 11.124 20.744 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.368 12.087 18.292 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.567 13.164 19.418 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.907 11.313 20.022 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.951 13.062 19.928 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.300 13.103 21.893 1.00 0.00 H new ATOM 0 HE3 LYS A 41 8.551 11.376 22.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.997 12.604 23.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.913 11.773 22.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.670 13.447 22.197 1.00 0.00 H new ATOM 708 N GLY A 42 7.341 7.367 20.021 1.00 0.00 N ATOM 709 CA GLY A 42 6.795 6.189 20.671 1.00 0.00 C ATOM 710 C GLY A 42 7.836 5.074 20.580 1.00 0.00 C ATOM 711 O GLY A 42 8.963 5.342 20.158 1.00 0.00 O ATOM 0 H GLY A 42 8.205 7.173 19.516 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.557 6.404 21.713 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.866 5.884 20.189 1.00 0.00 H new ATOM 715 N PRO A 43 7.494 3.832 20.958 1.00 0.00 N ATOM 716 CA PRO A 43 8.404 2.696 20.898 1.00 0.00 C ATOM 717 C PRO A 43 8.566 2.243 19.440 1.00 0.00 C ATOM 718 O PRO A 43 8.153 1.147 19.065 1.00 0.00 O ATOM 719 CB PRO A 43 7.750 1.635 21.792 1.00 0.00 C ATOM 720 CG PRO A 43 6.257 1.909 21.610 1.00 0.00 C ATOM 721 CD PRO A 43 6.197 3.432 21.479 1.00 0.00 C ATOM 0 HA PRO A 43 9.413 2.917 21.246 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.016 0.625 21.481 1.00 0.00 H new ATOM 0 HB3 PRO A 43 8.056 1.739 22.833 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.861 1.412 20.724 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.675 1.554 22.461 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.394 3.736 20.807 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.001 3.901 22.443 1.00 0.00 H new ATOM 729 N ARG A 44 9.166 3.105 18.618 1.00 0.00 N ATOM 730 CA ARG A 44 9.412 2.921 17.197 1.00 0.00 C ATOM 731 C ARG A 44 10.814 3.451 16.891 1.00 0.00 C ATOM 732 O ARG A 44 11.435 4.105 17.730 1.00 0.00 O ATOM 733 CB ARG A 44 8.330 3.671 16.399 1.00 0.00 C ATOM 734 CG ARG A 44 7.052 2.825 16.291 1.00 0.00 C ATOM 735 CD ARG A 44 5.807 3.656 15.962 1.00 0.00 C ATOM 736 NE ARG A 44 5.994 4.583 14.838 1.00 0.00 N ATOM 737 CZ ARG A 44 5.982 4.274 13.535 1.00 0.00 C ATOM 738 NH1 ARG A 44 5.997 3.005 13.119 1.00 0.00 N ATOM 739 NH2 ARG A 44 5.939 5.276 12.657 1.00 0.00 N ATOM 0 H ARG A 44 9.512 4.004 18.953 1.00 0.00 H new ATOM 0 HA ARG A 44 9.363 1.870 16.913 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.104 4.620 16.886 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.703 3.905 15.402 1.00 0.00 H new ATOM 0 HG2 ARG A 44 7.189 2.067 15.520 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.892 2.298 17.232 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.982 2.982 15.732 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.517 4.225 16.846 1.00 0.00 H new ATOM 0 HE ARG A 44 6.149 5.563 15.074 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.018 2.245 13.799 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.987 2.795 12.121 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.916 6.241 12.986 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.929 5.077 11.657 1.00 0.00 H new ATOM 753 N THR A 45 11.321 3.157 15.693 1.00 0.00 N ATOM 754 CA THR A 45 12.637 3.545 15.214 1.00 0.00 C ATOM 755 C THR A 45 12.778 5.058 15.013 1.00 0.00 C ATOM 756 O THR A 45 12.985 5.514 13.889 1.00 0.00 O ATOM 757 CB THR A 45 12.881 2.791 13.900 1.00 0.00 C ATOM 758 OG1 THR A 45 12.326 1.490 13.981 1.00 0.00 O ATOM 759 CG2 THR A 45 14.384 2.695 13.664 1.00 0.00 C ATOM 0 H THR A 45 10.797 2.618 15.004 1.00 0.00 H new ATOM 0 HA THR A 45 13.383 3.284 15.964 1.00 0.00 H new ATOM 0 HB THR A 45 12.408 3.324 13.075 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.483 1.014 13.139 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.573 2.161 12.733 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.807 3.698 13.600 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.849 2.158 14.491 1.00 0.00 H new ATOM 767 N LEU A 46 12.687 5.851 16.085 1.00 0.00 N ATOM 768 CA LEU A 46 12.841 7.295 15.982 1.00 0.00 C ATOM 769 C LEU A 46 14.180 7.638 15.350 1.00 0.00 C ATOM 770 O LEU A 46 14.236 8.488 14.463 1.00 0.00 O ATOM 771 CB LEU A 46 12.642 7.974 17.347 1.00 0.00 C ATOM 772 CG LEU A 46 12.844 9.504 17.320 1.00 0.00 C ATOM 773 CD1 LEU A 46 11.794 10.211 16.460 1.00 0.00 C ATOM 774 CD2 LEU A 46 12.763 10.048 18.750 1.00 0.00 C ATOM 0 H LEU A 46 12.508 5.513 17.030 1.00 0.00 H new ATOM 0 HA LEU A 46 12.062 7.686 15.327 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.636 7.756 17.707 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.338 7.538 18.064 1.00 0.00 H new ATOM 0 HG LEU A 46 13.823 9.700 16.882 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.977 11.285 16.472 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.855 9.844 15.436 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.800 10.008 16.859 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.905 11.129 18.737 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.786 9.816 19.173 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.541 9.587 19.359 1.00 0.00 H new ATOM 786 N ASP A 47 15.253 6.967 15.784 1.00 0.00 N ATOM 787 CA ASP A 47 16.557 7.152 15.222 1.00 0.00 C ATOM 788 C ASP A 47 17.475 5.968 15.478 1.00 0.00 C ATOM 789 O ASP A 47 18.117 5.816 16.511 1.00 0.00 O ATOM 790 CB ASP A 47 17.196 8.486 15.547 1.00 0.00 C ATOM 791 CG ASP A 47 17.659 8.645 16.991 1.00 0.00 C ATOM 792 OD1 ASP A 47 16.774 8.655 17.874 1.00 0.00 O ATOM 793 OD2 ASP A 47 18.886 8.796 17.180 1.00 0.00 O ATOM 0 H ASP A 47 15.221 6.282 16.539 1.00 0.00 H new ATOM 0 HA ASP A 47 16.397 7.190 14.145 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.053 8.631 14.889 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.482 9.278 15.321 1.00 0.00 H new ATOM 798 N ASP A 48 17.489 5.142 14.447 1.00 0.00 N ATOM 799 CA ASP A 48 18.268 3.929 14.271 1.00 0.00 C ATOM 800 C ASP A 48 18.385 3.696 12.760 1.00 0.00 C ATOM 801 O ASP A 48 19.479 3.809 12.211 1.00 0.00 O ATOM 802 CB ASP A 48 17.653 2.774 15.072 1.00 0.00 C ATOM 803 CG ASP A 48 18.021 1.417 14.482 1.00 0.00 C ATOM 804 OD1 ASP A 48 19.178 1.000 14.696 1.00 0.00 O ATOM 805 OD2 ASP A 48 17.142 0.838 13.808 1.00 0.00 O ATOM 0 H ASP A 48 16.899 5.321 13.635 1.00 0.00 H new ATOM 0 HA ASP A 48 19.278 4.011 14.672 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.995 2.826 16.106 1.00 0.00 H new ATOM 0 HB3 ASP A 48 16.568 2.881 15.089 1.00 0.00 H new ATOM 810 N LEU A 49 17.268 3.431 12.064 1.00 0.00 N ATOM 811 CA LEU A 49 17.329 3.275 10.603 1.00 0.00 C ATOM 812 C LEU A 49 17.819 4.608 10.028 1.00 0.00 C ATOM 813 O LEU A 49 18.665 4.673 9.140 1.00 0.00 O ATOM 814 CB LEU A 49 16.006 2.751 10.006 1.00 0.00 C ATOM 815 CG LEU A 49 14.766 3.666 10.064 1.00 0.00 C ATOM 816 CD1 LEU A 49 14.693 4.640 8.876 1.00 0.00 C ATOM 817 CD2 LEU A 49 13.497 2.803 9.994 1.00 0.00 C ATOM 0 H LEU A 49 16.340 3.323 12.473 1.00 0.00 H new ATOM 0 HA LEU A 49 18.037 2.496 10.320 1.00 0.00 H new ATOM 0 HB2 LEU A 49 16.188 2.503 8.960 1.00 0.00 H new ATOM 0 HB3 LEU A 49 15.757 1.820 10.515 1.00 0.00 H new ATOM 0 HG LEU A 49 14.841 4.232 10.992 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.801 5.260 8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 49 15.578 5.276 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.648 4.075 7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.617 3.445 10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.492 2.239 9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 49 13.480 2.111 10.836 1.00 0.00 H new ATOM 829 N PHE A 50 17.285 5.674 10.622 1.00 0.00 N ATOM 830 CA PHE A 50 17.610 7.073 10.415 1.00 0.00 C ATOM 831 C PHE A 50 19.128 7.243 10.343 1.00 0.00 C ATOM 832 O PHE A 50 19.646 7.898 9.444 1.00 0.00 O ATOM 833 CB PHE A 50 17.041 7.758 11.661 1.00 0.00 C ATOM 834 CG PHE A 50 17.137 9.255 11.846 1.00 0.00 C ATOM 835 CD1 PHE A 50 18.396 9.832 12.108 1.00 0.00 C ATOM 836 CD2 PHE A 50 15.974 9.925 12.277 1.00 0.00 C ATOM 837 CE1 PHE A 50 18.488 10.975 12.912 1.00 0.00 C ATOM 838 CE2 PHE A 50 16.072 11.041 13.122 1.00 0.00 C ATOM 839 CZ PHE A 50 17.336 11.529 13.479 1.00 0.00 C ATOM 0 H PHE A 50 16.550 5.564 11.321 1.00 0.00 H new ATOM 0 HA PHE A 50 17.206 7.486 9.490 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.984 7.499 11.712 1.00 0.00 H new ATOM 0 HB3 PHE A 50 17.523 7.299 12.524 1.00 0.00 H new ATOM 0 HD1 PHE A 50 19.289 9.393 11.689 1.00 0.00 H new ATOM 0 HD2 PHE A 50 15.003 9.578 11.955 1.00 0.00 H new ATOM 0 HE1 PHE A 50 19.451 11.429 13.094 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.179 11.521 13.495 1.00 0.00 H new ATOM 0 HZ PHE A 50 17.421 12.335 14.193 1.00 0.00 H new ATOM 849 N GLN A 51 19.840 6.649 11.308 1.00 0.00 N ATOM 850 CA GLN A 51 21.283 6.749 11.393 1.00 0.00 C ATOM 851 C GLN A 51 21.915 6.022 10.211 1.00 0.00 C ATOM 852 O GLN A 51 22.781 6.575 9.539 1.00 0.00 O ATOM 853 CB GLN A 51 21.763 6.215 12.748 1.00 0.00 C ATOM 854 CG GLN A 51 23.233 6.571 12.992 1.00 0.00 C ATOM 855 CD GLN A 51 23.641 6.229 14.419 1.00 0.00 C ATOM 856 OE1 GLN A 51 23.760 7.111 15.261 1.00 0.00 O ATOM 857 NE2 GLN A 51 23.848 4.947 14.707 1.00 0.00 N ATOM 0 H GLN A 51 19.421 6.087 12.049 1.00 0.00 H new ATOM 0 HA GLN A 51 21.596 7.791 11.335 1.00 0.00 H new ATOM 0 HB2 GLN A 51 21.148 6.632 13.545 1.00 0.00 H new ATOM 0 HB3 GLN A 51 21.637 5.133 12.781 1.00 0.00 H new ATOM 0 HG2 GLN A 51 23.865 6.029 12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 51 23.390 7.634 12.809 1.00 0.00 H new ATOM 0 HE21 GLN A 51 23.740 4.238 13.982 1.00 0.00 H new ATOM 0 HE22 GLN A 51 24.114 4.673 15.653 1.00 0.00 H new ATOM 866 N GLU A 52 21.476 4.788 9.942 1.00 0.00 N ATOM 867 CA GLU A 52 21.992 4.012 8.818 1.00 0.00 C ATOM 868 C GLU A 52 21.862 4.816 7.515 1.00 0.00 C ATOM 869 O GLU A 52 22.745 4.775 6.662 1.00 0.00 O ATOM 870 CB GLU A 52 21.264 2.659 8.745 1.00 0.00 C ATOM 871 CG GLU A 52 21.880 1.699 7.714 1.00 0.00 C ATOM 872 CD GLU A 52 23.328 1.334 8.032 1.00 0.00 C ATOM 873 OE1 GLU A 52 23.583 0.991 9.207 1.00 0.00 O ATOM 874 OE2 GLU A 52 24.152 1.398 7.095 1.00 0.00 O ATOM 0 H GLU A 52 20.763 4.307 10.491 1.00 0.00 H new ATOM 0 HA GLU A 52 23.053 3.808 8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.284 2.189 9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 52 20.217 2.829 8.494 1.00 0.00 H new ATOM 0 HG2 GLU A 52 21.282 0.788 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 52 21.835 2.157 6.726 1.00 0.00 H new ATOM 881 N LEU A 53 20.758 5.554 7.366 1.00 0.00 N ATOM 882 CA LEU A 53 20.506 6.386 6.196 1.00 0.00 C ATOM 883 C LEU A 53 21.532 7.524 6.012 1.00 0.00 C ATOM 884 O LEU A 53 21.617 8.058 4.906 1.00 0.00 O ATOM 885 CB LEU A 53 19.055 6.886 6.206 1.00 0.00 C ATOM 886 CG LEU A 53 18.011 5.765 6.026 1.00 0.00 C ATOM 887 CD1 LEU A 53 16.617 6.356 6.213 1.00 0.00 C ATOM 888 CD2 LEU A 53 18.056 5.097 4.646 1.00 0.00 C ATOM 0 H LEU A 53 20.012 5.588 8.061 1.00 0.00 H new ATOM 0 HA LEU A 53 20.643 5.758 5.316 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.864 7.400 7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 53 18.928 7.620 5.410 1.00 0.00 H new ATOM 0 HG LEU A 53 18.244 5.002 6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 53 15.870 5.572 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.533 6.781 7.213 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.451 7.137 5.472 1.00 0.00 H new ATOM 0 HD21 LEU A 53 17.294 4.319 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.867 5.843 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.039 4.653 4.489 1.00 0.00 H new ATOM 900 N ASP A 54 22.322 7.903 7.032 1.00 0.00 N ATOM 901 CA ASP A 54 23.383 8.916 6.907 1.00 0.00 C ATOM 902 C ASP A 54 24.529 8.237 6.141 1.00 0.00 C ATOM 903 O ASP A 54 25.587 7.976 6.710 1.00 0.00 O ATOM 904 CB ASP A 54 23.887 9.363 8.292 1.00 0.00 C ATOM 905 CG ASP A 54 22.901 10.249 9.041 1.00 0.00 C ATOM 906 OD1 ASP A 54 22.957 11.473 8.801 1.00 0.00 O ATOM 907 OD2 ASP A 54 22.127 9.706 9.857 1.00 0.00 O ATOM 0 H ASP A 54 22.241 7.513 7.971 1.00 0.00 H new ATOM 0 HA ASP A 54 23.011 9.803 6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 54 24.100 8.480 8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 54 24.827 9.901 8.171 1.00 0.00 H new ATOM 912 N LYS A 55 24.329 7.917 4.858 1.00 0.00 N ATOM 913 CA LYS A 55 25.344 7.222 4.078 1.00 0.00 C ATOM 914 C LYS A 55 26.618 8.056 3.991 1.00 0.00 C ATOM 915 O LYS A 55 26.596 9.181 3.502 1.00 0.00 O ATOM 916 CB LYS A 55 24.846 6.865 2.676 1.00 0.00 C ATOM 917 CG LYS A 55 23.599 5.972 2.717 1.00 0.00 C ATOM 918 CD LYS A 55 23.322 5.308 1.361 1.00 0.00 C ATOM 919 CE LYS A 55 23.237 6.331 0.220 1.00 0.00 C ATOM 920 NZ LYS A 55 22.544 5.779 -0.958 1.00 0.00 N ATOM 0 H LYS A 55 23.474 8.130 4.344 1.00 0.00 H new ATOM 0 HA LYS A 55 25.565 6.288 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 55 24.619 7.780 2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 55 25.639 6.355 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.729 5.202 3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 55 22.736 6.568 3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 55 24.111 4.588 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 55 22.388 4.750 1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 55 22.711 7.220 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 55 24.242 6.645 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 22.610 6.453 -1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 22.989 4.880 -1.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 21.544 5.614 -0.726 1.00 0.00 H new ATOM 934 N ASN A 56 27.742 7.494 4.438 1.00 0.00 N ATOM 935 CA ASN A 56 29.020 8.198 4.462 1.00 0.00 C ATOM 936 C ASN A 56 29.527 8.482 3.049 1.00 0.00 C ATOM 937 O ASN A 56 30.177 9.498 2.826 1.00 0.00 O ATOM 938 CB ASN A 56 30.041 7.370 5.249 1.00 0.00 C ATOM 939 CG ASN A 56 31.406 8.053 5.294 1.00 0.00 C ATOM 940 OD1 ASN A 56 31.661 8.886 6.156 1.00 0.00 O ATOM 941 ND2 ASN A 56 32.305 7.702 4.378 1.00 0.00 N ATOM 0 H ASN A 56 27.790 6.539 4.793 1.00 0.00 H new ATOM 0 HA ASN A 56 28.879 9.161 4.954 1.00 0.00 H new ATOM 0 HB2 ASN A 56 29.678 7.214 6.265 1.00 0.00 H new ATOM 0 HB3 ASN A 56 30.141 6.386 4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 56 33.231 8.129 4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 56 32.068 7.006 3.671 1.00 0.00 H new ATOM 948 N GLY A 57 29.226 7.598 2.091 1.00 0.00 N ATOM 949 CA GLY A 57 29.625 7.780 0.702 1.00 0.00 C ATOM 950 C GLY A 57 29.133 9.127 0.168 1.00 0.00 C ATOM 951 O GLY A 57 29.873 9.848 -0.497 1.00 0.00 O ATOM 0 H GLY A 57 28.700 6.741 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 57 30.711 7.726 0.621 1.00 0.00 H new ATOM 0 HA3 GLY A 57 29.219 6.972 0.093 1.00 0.00 H new ATOM 955 N ASP A 58 27.877 9.463 0.475 1.00 0.00 N ATOM 956 CA ASP A 58 27.255 10.722 0.080 1.00 0.00 C ATOM 957 C ASP A 58 27.665 11.807 1.076 1.00 0.00 C ATOM 958 O ASP A 58 27.942 12.944 0.698 1.00 0.00 O ATOM 959 CB ASP A 58 25.728 10.579 0.072 1.00 0.00 C ATOM 960 CG ASP A 58 25.213 9.640 -1.016 1.00 0.00 C ATOM 961 OD1 ASP A 58 25.660 8.472 -1.031 1.00 0.00 O ATOM 962 OD2 ASP A 58 24.358 10.100 -1.804 1.00 0.00 O ATOM 0 H ASP A 58 27.258 8.857 1.013 1.00 0.00 H new ATOM 0 HA ASP A 58 27.584 10.992 -0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 58 25.400 10.211 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 58 25.279 11.563 -0.065 1.00 0.00 H new ATOM 967 N GLY A 59 27.679 11.433 2.354 1.00 0.00 N ATOM 968 CA GLY A 59 28.021 12.251 3.496 1.00 0.00 C ATOM 969 C GLY A 59 26.992 11.988 4.591 1.00 0.00 C ATOM 970 O GLY A 59 27.336 11.545 5.684 1.00 0.00 O ATOM 0 H GLY A 59 27.433 10.482 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 59 29.024 12.011 3.850 1.00 0.00 H new ATOM 0 HA3 GLY A 59 28.024 13.306 3.222 1.00 0.00 H new ATOM 974 N GLU A 60 25.727 12.269 4.277 1.00 0.00 N ATOM 975 CA GLU A 60 24.580 12.151 5.158 1.00 0.00 C ATOM 976 C GLU A 60 23.383 11.502 4.433 1.00 0.00 C ATOM 977 O GLU A 60 23.552 10.643 3.568 1.00 0.00 O ATOM 978 CB GLU A 60 24.203 13.529 5.663 1.00 0.00 C ATOM 979 CG GLU A 60 25.354 14.466 6.071 1.00 0.00 C ATOM 980 CD GLU A 60 26.295 13.915 7.142 1.00 0.00 C ATOM 981 OE1 GLU A 60 25.810 13.171 8.023 1.00 0.00 O ATOM 982 OE2 GLU A 60 27.483 14.298 7.090 1.00 0.00 O ATOM 0 H GLU A 60 25.468 12.603 3.349 1.00 0.00 H new ATOM 0 HA GLU A 60 24.844 11.508 5.997 1.00 0.00 H new ATOM 0 HB2 GLU A 60 23.621 14.026 4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 60 23.546 13.406 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 60 25.940 14.703 5.183 1.00 0.00 H new ATOM 0 HG3 GLU A 60 24.928 15.402 6.431 1.00 0.00 H new ATOM 989 N VAL A 61 22.162 11.912 4.798 1.00 0.00 N ATOM 990 CA VAL A 61 20.912 11.406 4.264 1.00 0.00 C ATOM 991 C VAL A 61 20.529 12.194 3.018 1.00 0.00 C ATOM 992 O VAL A 61 19.877 13.231 3.115 1.00 0.00 O ATOM 993 CB VAL A 61 19.826 11.531 5.355 1.00 0.00 C ATOM 994 CG1 VAL A 61 18.490 10.913 4.929 1.00 0.00 C ATOM 995 CG2 VAL A 61 20.269 10.883 6.670 1.00 0.00 C ATOM 0 H VAL A 61 22.023 12.636 5.503 1.00 0.00 H new ATOM 0 HA VAL A 61 21.015 10.359 3.980 1.00 0.00 H new ATOM 0 HB VAL A 61 19.684 12.601 5.503 1.00 0.00 H new ATOM 0 HG11 VAL A 61 17.763 11.029 5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 61 18.125 11.417 4.034 1.00 0.00 H new ATOM 0 HG13 VAL A 61 18.631 9.853 4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 61 19.479 10.991 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 61 20.469 9.824 6.505 1.00 0.00 H new ATOM 0 HG23 VAL A 61 21.175 11.372 7.029 1.00 0.00 H new ATOM 1005 N SER A 62 20.927 11.692 1.850 1.00 0.00 N ATOM 1006 CA SER A 62 20.571 12.267 0.562 1.00 0.00 C ATOM 1007 C SER A 62 19.054 12.194 0.346 1.00 0.00 C ATOM 1008 O SER A 62 18.354 11.494 1.075 1.00 0.00 O ATOM 1009 CB SER A 62 21.321 11.491 -0.517 1.00 0.00 C ATOM 1010 OG SER A 62 22.704 11.645 -0.294 1.00 0.00 O ATOM 0 H SER A 62 21.515 10.862 1.775 1.00 0.00 H new ATOM 0 HA SER A 62 20.851 13.320 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 62 21.047 10.437 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 62 21.053 11.861 -1.506 1.00 0.00 H new ATOM 0 HG SER A 62 23.203 11.167 -0.989 1.00 0.00 H new ATOM 1016 N PHE A 63 18.531 12.915 -0.653 1.00 0.00 N ATOM 1017 CA PHE A 63 17.091 12.948 -0.905 1.00 0.00 C ATOM 1018 C PHE A 63 16.479 11.550 -0.996 1.00 0.00 C ATOM 1019 O PHE A 63 15.459 11.284 -0.366 1.00 0.00 O ATOM 1020 CB PHE A 63 16.740 13.809 -2.124 1.00 0.00 C ATOM 1021 CG PHE A 63 15.240 13.964 -2.298 1.00 0.00 C ATOM 1022 CD1 PHE A 63 14.487 14.592 -1.287 1.00 0.00 C ATOM 1023 CD2 PHE A 63 14.576 13.303 -3.350 1.00 0.00 C ATOM 1024 CE1 PHE A 63 13.084 14.529 -1.308 1.00 0.00 C ATOM 1025 CE2 PHE A 63 13.171 13.277 -3.392 1.00 0.00 C ATOM 1026 CZ PHE A 63 12.425 13.885 -2.368 1.00 0.00 C ATOM 0 H PHE A 63 19.084 13.481 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 63 16.638 13.426 -0.036 1.00 0.00 H new ATOM 0 HB2 PHE A 63 17.196 14.793 -2.016 1.00 0.00 H new ATOM 0 HB3 PHE A 63 17.164 13.358 -3.021 1.00 0.00 H new ATOM 0 HD1 PHE A 63 14.990 15.124 -0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 63 15.147 12.815 -4.126 1.00 0.00 H new ATOM 0 HE1 PHE A 63 12.512 14.976 -0.509 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.665 12.789 -4.212 1.00 0.00 H new ATOM 0 HZ PHE A 63 11.346 13.857 -2.396 1.00 0.00 H new ATOM 1036 N GLU A 64 17.102 10.649 -1.761 1.00 0.00 N ATOM 1037 CA GLU A 64 16.621 9.277 -1.886 1.00 0.00 C ATOM 1038 C GLU A 64 16.489 8.629 -0.499 1.00 0.00 C ATOM 1039 O GLU A 64 15.459 8.041 -0.171 1.00 0.00 O ATOM 1040 CB GLU A 64 17.523 8.482 -2.848 1.00 0.00 C ATOM 1041 CG GLU A 64 18.999 8.393 -2.418 1.00 0.00 C ATOM 1042 CD GLU A 64 19.885 7.657 -3.421 1.00 0.00 C ATOM 1043 OE1 GLU A 64 19.397 7.381 -4.538 1.00 0.00 O ATOM 1044 OE2 GLU A 64 21.047 7.390 -3.044 1.00 0.00 O ATOM 0 H GLU A 64 17.943 10.849 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 64 15.623 9.274 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 64 17.125 7.472 -2.946 1.00 0.00 H new ATOM 0 HB3 GLU A 64 17.473 8.942 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 64 19.388 9.401 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 64 19.058 7.887 -1.454 1.00 0.00 H new ATOM 1051 N GLU A 65 17.532 8.763 0.323 1.00 0.00 N ATOM 1052 CA GLU A 65 17.573 8.216 1.668 1.00 0.00 C ATOM 1053 C GLU A 65 16.437 8.825 2.491 1.00 0.00 C ATOM 1054 O GLU A 65 15.729 8.120 3.211 1.00 0.00 O ATOM 1055 CB GLU A 65 18.948 8.484 2.303 1.00 0.00 C ATOM 1056 CG GLU A 65 20.123 7.916 1.500 1.00 0.00 C ATOM 1057 CD GLU A 65 20.019 6.405 1.328 1.00 0.00 C ATOM 1058 OE1 GLU A 65 20.132 5.708 2.358 1.00 0.00 O ATOM 1059 OE2 GLU A 65 19.834 5.973 0.169 1.00 0.00 O ATOM 0 H GLU A 65 18.382 9.263 0.063 1.00 0.00 H new ATOM 0 HA GLU A 65 17.433 7.135 1.639 1.00 0.00 H new ATOM 0 HB2 GLU A 65 19.083 9.560 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 65 18.964 8.056 3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 65 20.156 8.391 0.520 1.00 0.00 H new ATOM 0 HG3 GLU A 65 21.058 8.160 2.004 1.00 0.00 H new ATOM 1066 N PHE A 66 16.246 10.140 2.378 1.00 0.00 N ATOM 1067 CA PHE A 66 15.174 10.814 3.088 1.00 0.00 C ATOM 1068 C PHE A 66 13.822 10.240 2.654 1.00 0.00 C ATOM 1069 O PHE A 66 13.014 9.875 3.504 1.00 0.00 O ATOM 1070 CB PHE A 66 15.252 12.331 2.900 1.00 0.00 C ATOM 1071 CG PHE A 66 14.111 13.088 3.552 1.00 0.00 C ATOM 1072 CD1 PHE A 66 13.705 12.764 4.862 1.00 0.00 C ATOM 1073 CD2 PHE A 66 13.396 14.058 2.823 1.00 0.00 C ATOM 1074 CE1 PHE A 66 12.530 13.316 5.392 1.00 0.00 C ATOM 1075 CE2 PHE A 66 12.278 14.685 3.399 1.00 0.00 C ATOM 1076 CZ PHE A 66 11.808 14.271 4.657 1.00 0.00 C ATOM 0 H PHE A 66 16.822 10.753 1.801 1.00 0.00 H new ATOM 0 HA PHE A 66 15.285 10.632 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.196 12.691 3.310 1.00 0.00 H new ATOM 0 HB3 PHE A 66 15.262 12.556 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 66 14.300 12.089 5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 66 13.707 14.320 1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.180 13.007 6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 66 11.779 15.486 2.874 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.895 14.686 5.057 1.00 0.00 H new ATOM 1086 N GLN A 67 13.559 10.131 1.348 1.00 0.00 N ATOM 1087 CA GLN A 67 12.303 9.553 0.894 1.00 0.00 C ATOM 1088 C GLN A 67 12.140 8.139 1.450 1.00 0.00 C ATOM 1089 O GLN A 67 11.032 7.789 1.855 1.00 0.00 O ATOM 1090 CB GLN A 67 12.151 9.589 -0.634 1.00 0.00 C ATOM 1091 CG GLN A 67 11.143 10.665 -1.062 1.00 0.00 C ATOM 1092 CD GLN A 67 9.663 10.315 -0.831 1.00 0.00 C ATOM 1093 OE1 GLN A 67 8.793 10.878 -1.491 1.00 0.00 O ATOM 1094 NE2 GLN A 67 9.328 9.400 0.080 1.00 0.00 N ATOM 0 H GLN A 67 14.189 10.431 0.604 1.00 0.00 H new ATOM 0 HA GLN A 67 11.496 10.172 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.119 9.788 -1.095 1.00 0.00 H new ATOM 0 HB3 GLN A 67 11.822 8.614 -0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.369 11.585 -0.523 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.288 10.873 -2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.053 8.935 0.626 1.00 0.00 H new ATOM 0 HE22 GLN A 67 8.347 9.166 0.231 1.00 0.00 H new ATOM 1103 N VAL A 68 13.212 7.342 1.479 1.00 0.00 N ATOM 1104 CA VAL A 68 13.172 6.003 2.055 1.00 0.00 C ATOM 1105 C VAL A 68 12.724 6.108 3.522 1.00 0.00 C ATOM 1106 O VAL A 68 11.829 5.373 3.943 1.00 0.00 O ATOM 1107 CB VAL A 68 14.528 5.295 1.853 1.00 0.00 C ATOM 1108 CG1 VAL A 68 14.669 4.053 2.734 1.00 0.00 C ATOM 1109 CG2 VAL A 68 14.677 4.864 0.388 1.00 0.00 C ATOM 0 H VAL A 68 14.123 7.608 1.106 1.00 0.00 H new ATOM 0 HA VAL A 68 12.441 5.375 1.546 1.00 0.00 H new ATOM 0 HB VAL A 68 15.304 6.008 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 68 15.639 3.589 2.556 1.00 0.00 H new ATOM 0 HG12 VAL A 68 14.590 4.340 3.783 1.00 0.00 H new ATOM 0 HG13 VAL A 68 13.878 3.343 2.492 1.00 0.00 H new ATOM 0 HG21 VAL A 68 15.636 4.365 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.871 4.179 0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 68 14.630 5.742 -0.256 1.00 0.00 H new ATOM 1119 N LEU A 69 13.320 7.028 4.295 1.00 0.00 N ATOM 1120 CA LEU A 69 12.930 7.254 5.686 1.00 0.00 C ATOM 1121 C LEU A 69 11.431 7.520 5.741 1.00 0.00 C ATOM 1122 O LEU A 69 10.699 6.838 6.453 1.00 0.00 O ATOM 1123 CB LEU A 69 13.696 8.440 6.302 1.00 0.00 C ATOM 1124 CG LEU A 69 13.414 8.618 7.805 1.00 0.00 C ATOM 1125 CD1 LEU A 69 14.625 9.276 8.473 1.00 0.00 C ATOM 1126 CD2 LEU A 69 12.192 9.501 8.108 1.00 0.00 C ATOM 0 H LEU A 69 14.079 7.629 3.973 1.00 0.00 H new ATOM 0 HA LEU A 69 13.178 6.365 6.266 1.00 0.00 H new ATOM 0 HB2 LEU A 69 14.766 8.292 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 69 13.424 9.355 5.775 1.00 0.00 H new ATOM 0 HG LEU A 69 13.212 7.619 8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 69 14.429 9.404 9.538 1.00 0.00 H new ATOM 0 HD12 LEU A 69 15.503 8.644 8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 69 14.807 10.250 8.018 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.058 9.579 9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.348 10.495 7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.302 9.056 7.663 1.00 0.00 H new ATOM 1138 N VAL A 70 10.989 8.527 4.985 1.00 0.00 N ATOM 1139 CA VAL A 70 9.595 8.937 4.923 1.00 0.00 C ATOM 1140 C VAL A 70 8.689 7.731 4.665 1.00 0.00 C ATOM 1141 O VAL A 70 7.718 7.532 5.394 1.00 0.00 O ATOM 1142 CB VAL A 70 9.396 10.071 3.904 1.00 0.00 C ATOM 1143 CG1 VAL A 70 7.912 10.388 3.704 1.00 0.00 C ATOM 1144 CG2 VAL A 70 10.099 11.342 4.390 1.00 0.00 C ATOM 0 H VAL A 70 11.603 9.085 4.392 1.00 0.00 H new ATOM 0 HA VAL A 70 9.304 9.345 5.891 1.00 0.00 H new ATOM 0 HB VAL A 70 9.821 9.737 2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.807 11.194 2.978 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.396 9.500 3.338 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.475 10.696 4.654 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.953 12.140 3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.680 11.645 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 70 11.165 11.147 4.505 1.00 0.00 H new ATOM 1154 N LYS A 71 8.994 6.914 3.653 1.00 0.00 N ATOM 1155 CA LYS A 71 8.197 5.723 3.384 1.00 0.00 C ATOM 1156 C LYS A 71 8.135 4.870 4.655 1.00 0.00 C ATOM 1157 O LYS A 71 7.045 4.511 5.106 1.00 0.00 O ATOM 1158 CB LYS A 71 8.771 4.934 2.199 1.00 0.00 C ATOM 1159 CG LYS A 71 8.615 5.652 0.848 1.00 0.00 C ATOM 1160 CD LYS A 71 7.164 5.879 0.390 1.00 0.00 C ATOM 1161 CE LYS A 71 6.321 4.599 0.324 1.00 0.00 C ATOM 1162 NZ LYS A 71 6.945 3.569 -0.526 1.00 0.00 N ATOM 0 H LYS A 71 9.778 7.056 3.016 1.00 0.00 H new ATOM 0 HA LYS A 71 7.185 6.015 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.829 4.742 2.379 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.276 3.964 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.115 6.619 0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.133 5.072 0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 71 6.685 6.582 1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 71 7.174 6.346 -0.595 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.183 4.204 1.330 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.330 4.837 -0.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.311 2.747 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.116 3.959 -1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.849 3.273 -0.106 1.00 0.00 H new ATOM 1176 N LYS A 72 9.296 4.566 5.246 1.00 0.00 N ATOM 1177 CA LYS A 72 9.373 3.773 6.464 1.00 0.00 C ATOM 1178 C LYS A 72 8.625 4.380 7.659 1.00 0.00 C ATOM 1179 O LYS A 72 8.401 3.662 8.632 1.00 0.00 O ATOM 1180 CB LYS A 72 10.839 3.480 6.790 1.00 0.00 C ATOM 1181 CG LYS A 72 11.419 2.506 5.758 1.00 0.00 C ATOM 1182 CD LYS A 72 12.939 2.610 5.786 1.00 0.00 C ATOM 1183 CE LYS A 72 13.584 1.490 4.963 1.00 0.00 C ATOM 1184 NZ LYS A 72 15.055 1.575 5.003 1.00 0.00 N ATOM 0 H LYS A 72 10.203 4.865 4.889 1.00 0.00 H new ATOM 0 HA LYS A 72 8.850 2.836 6.270 1.00 0.00 H new ATOM 0 HB2 LYS A 72 11.413 4.407 6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 72 10.920 3.054 7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.106 1.487 5.983 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.043 2.742 4.763 1.00 0.00 H new ATOM 0 HD2 LYS A 72 13.248 3.579 5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 72 13.291 2.558 6.816 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.263 0.522 5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.242 1.552 3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.457 0.993 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 15.349 2.564 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.398 1.227 5.921 1.00 0.00 H new ATOM 1198 N ILE A 73 8.207 5.656 7.626 1.00 0.00 N ATOM 1199 CA ILE A 73 7.413 6.207 8.726 1.00 0.00 C ATOM 1200 C ILE A 73 6.135 5.363 8.836 1.00 0.00 C ATOM 1201 O ILE A 73 5.644 5.107 9.935 1.00 0.00 O ATOM 1202 CB ILE A 73 7.040 7.697 8.525 1.00 0.00 C ATOM 1203 CG1 ILE A 73 8.259 8.607 8.282 1.00 0.00 C ATOM 1204 CG2 ILE A 73 6.258 8.211 9.746 1.00 0.00 C ATOM 1205 CD1 ILE A 73 7.874 10.027 7.836 1.00 0.00 C ATOM 0 H ILE A 73 8.402 6.309 6.867 1.00 0.00 H new ATOM 0 HA ILE A 73 8.010 6.167 9.637 1.00 0.00 H new ATOM 0 HB ILE A 73 6.425 7.740 7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.848 8.667 9.197 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.897 8.155 7.522 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.999 9.259 9.597 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.346 7.626 9.867 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.874 8.113 10.640 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.777 10.617 7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 73 7.311 9.976 6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.261 10.496 8.605 1.00 0.00 H new ATOM 1217 N SER A 74 5.592 4.931 7.691 1.00 0.00 N ATOM 1218 CA SER A 74 4.374 4.144 7.627 1.00 0.00 C ATOM 1219 C SER A 74 4.284 3.469 6.265 1.00 0.00 C ATOM 1220 O SER A 74 4.882 2.416 6.059 1.00 0.00 O ATOM 1221 CB SER A 74 3.165 5.031 7.963 1.00 0.00 C ATOM 1222 OG SER A 74 3.135 6.173 7.123 1.00 0.00 O ATOM 0 H SER A 74 5.999 5.126 6.776 1.00 0.00 H new ATOM 0 HA SER A 74 4.382 3.348 8.371 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.244 4.460 7.843 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.214 5.342 9.007 1.00 0.00 H new ATOM 0 HG SER A 74 2.206 6.385 6.892 1.00 0.00 H new ATOM 1228 N GLN A 75 3.518 4.055 5.343 1.00 0.00 N ATOM 1229 CA GLN A 75 3.313 3.496 4.018 1.00 0.00 C ATOM 1230 C GLN A 75 2.898 4.599 3.042 1.00 0.00 C ATOM 1231 O GLN A 75 2.191 5.520 3.461 1.00 0.00 O ATOM 1232 CB GLN A 75 2.325 2.307 4.031 1.00 0.00 C ATOM 1233 CG GLN A 75 1.640 1.983 5.374 1.00 0.00 C ATOM 1234 CD GLN A 75 0.603 3.020 5.795 1.00 0.00 C ATOM 1235 OE1 GLN A 75 0.164 3.845 4.998 1.00 0.00 O ATOM 1236 NE2 GLN A 75 0.191 2.993 7.059 1.00 0.00 N ATOM 1237 OXT GLN A 75 3.327 4.548 1.891 1.00 0.00 O ATOM 0 H GLN A 75 3.024 4.933 5.501 1.00 0.00 H new ATOM 0 HA GLN A 75 4.259 3.082 3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.548 2.504 3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.861 1.417 3.700 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.158 1.008 5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.400 1.905 6.151 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.569 2.299 7.704 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -0.503 3.666 7.384 1.00 0.00 H new TER 1246 GLN A 75