USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 536 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 21 ASN : amide:sc= -0.0417 K(o=-0.042,f=-0.69) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 24 SER OG : rot -170:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.178) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.00236 USER MOD Single : A 41 LYS NZ :NH3+ 174:sc= 0.0198 (180deg=0.017) USER MOD Single : A 43 MET CE :methyl 167:sc= -0.08 (180deg=-0.49) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 67 GLN : amide:sc= 0.135 X(o=0.14,f=-0.032) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.684 X(o=-0.68,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 5 11.445 -9.344 -1.847 1.00 0.00 N ATOM 64 CA GLU A 5 11.459 -8.582 -0.610 1.00 0.00 C ATOM 65 C GLU A 5 10.217 -7.693 -0.520 1.00 0.00 C ATOM 66 O GLU A 5 9.493 -7.729 0.474 1.00 0.00 O ATOM 67 CB GLU A 5 12.738 -7.752 -0.491 1.00 0.00 C ATOM 68 CG GLU A 5 13.750 -8.432 0.434 1.00 0.00 C ATOM 69 CD GLU A 5 14.085 -7.538 1.630 1.00 0.00 C ATOM 70 OE1 GLU A 5 14.538 -6.401 1.379 1.00 0.00 O ATOM 71 OE2 GLU A 5 13.881 -8.014 2.768 1.00 0.00 O ATOM 0 HA GLU A 5 11.442 -9.282 0.225 1.00 0.00 H new ATOM 0 HB2 GLU A 5 13.179 -7.613 -1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.498 -6.761 -0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.346 -9.381 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.660 -8.660 -0.121 1.00 0.00 H new ATOM 78 N LEU A 6 10.008 -6.915 -1.572 1.00 0.00 N ATOM 79 CA LEU A 6 8.867 -6.017 -1.625 1.00 0.00 C ATOM 80 C LEU A 6 7.595 -6.796 -1.283 1.00 0.00 C ATOM 81 O LEU A 6 6.791 -6.350 -0.466 1.00 0.00 O ATOM 82 CB LEU A 6 8.807 -5.306 -2.978 1.00 0.00 C ATOM 83 CG LEU A 6 9.396 -3.894 -3.020 1.00 0.00 C ATOM 84 CD1 LEU A 6 9.362 -3.328 -4.441 1.00 0.00 C ATOM 85 CD2 LEU A 6 8.690 -2.976 -2.021 1.00 0.00 C ATOM 0 H LEU A 6 10.610 -6.888 -2.395 1.00 0.00 H new ATOM 0 HA LEU A 6 8.969 -5.227 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.331 -5.919 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.765 -5.253 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 6 10.443 -3.951 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.786 -2.324 -4.443 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.945 -3.969 -5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.331 -3.287 -4.792 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.128 -1.979 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.629 -2.919 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.809 -3.374 -1.013 1.00 0.00 H new ATOM 97 N LYS A 7 7.453 -7.947 -1.925 1.00 0.00 N ATOM 98 CA LYS A 7 6.293 -8.792 -1.698 1.00 0.00 C ATOM 99 C LYS A 7 6.155 -9.071 -0.200 1.00 0.00 C ATOM 100 O LYS A 7 5.161 -8.691 0.416 1.00 0.00 O ATOM 101 CB LYS A 7 6.377 -10.057 -2.555 1.00 0.00 C ATOM 102 CG LYS A 7 5.014 -10.401 -3.159 1.00 0.00 C ATOM 103 CD LYS A 7 4.733 -9.550 -4.398 1.00 0.00 C ATOM 104 CE LYS A 7 4.962 -10.355 -5.679 1.00 0.00 C ATOM 105 NZ LYS A 7 5.326 -9.456 -6.797 1.00 0.00 N ATOM 0 H LYS A 7 8.122 -8.314 -2.602 1.00 0.00 H new ATOM 0 HA LYS A 7 5.382 -8.282 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.106 -9.913 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.730 -10.890 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.987 -11.458 -3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.232 -10.239 -2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.705 -9.189 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.379 -8.672 -4.395 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.755 -11.086 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.060 -10.913 -5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.478 -10.018 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.557 -8.775 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.199 -8.943 -6.560 1.00 0.00 H new ATOM 119 N GLY A 8 7.167 -9.732 0.342 1.00 0.00 N ATOM 120 CA GLY A 8 7.172 -10.066 1.756 1.00 0.00 C ATOM 121 C GLY A 8 7.018 -8.810 2.616 1.00 0.00 C ATOM 122 O GLY A 8 6.369 -8.844 3.660 1.00 0.00 O ATOM 0 H GLY A 8 7.990 -10.045 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.361 -10.761 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.103 -10.573 2.010 1.00 0.00 H new ATOM 126 N ILE A 9 7.626 -7.731 2.146 1.00 0.00 N ATOM 127 CA ILE A 9 7.565 -6.467 2.860 1.00 0.00 C ATOM 128 C ILE A 9 6.102 -6.094 3.103 1.00 0.00 C ATOM 129 O ILE A 9 5.703 -5.838 4.239 1.00 0.00 O ATOM 130 CB ILE A 9 8.358 -5.392 2.113 1.00 0.00 C ATOM 131 CG1 ILE A 9 9.854 -5.509 2.410 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.818 -3.995 2.429 1.00 0.00 C ATOM 133 CD1 ILE A 9 10.664 -4.559 1.525 1.00 0.00 C ATOM 0 H ILE A 9 8.163 -7.706 1.279 1.00 0.00 H new ATOM 0 HA ILE A 9 8.038 -6.558 3.838 1.00 0.00 H new ATOM 0 HB ILE A 9 8.229 -5.553 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.039 -5.281 3.460 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.182 -6.535 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.398 -3.249 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.773 -3.932 2.127 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.898 -3.808 3.500 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.724 -4.662 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.495 -4.806 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.350 -3.532 1.711 1.00 0.00 H new ATOM 145 N PHE A 10 5.340 -6.075 2.019 1.00 0.00 N ATOM 146 CA PHE A 10 3.930 -5.738 2.101 1.00 0.00 C ATOM 147 C PHE A 10 3.232 -6.557 3.189 1.00 0.00 C ATOM 148 O PHE A 10 2.564 -5.999 4.058 1.00 0.00 O ATOM 149 CB PHE A 10 3.308 -6.080 0.745 1.00 0.00 C ATOM 150 CG PHE A 10 1.800 -6.333 0.798 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.328 -7.565 1.124 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.932 -5.324 0.517 1.00 0.00 C ATOM 153 CE1 PHE A 10 -0.072 -7.800 1.173 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.468 -5.558 0.566 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.940 -6.791 0.893 1.00 0.00 C ATOM 0 H PHE A 10 5.673 -6.288 1.079 1.00 0.00 H new ATOM 0 HA PHE A 10 3.814 -4.683 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.505 -5.263 0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.801 -6.966 0.344 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.018 -8.366 1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.307 -4.345 0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.447 -8.779 1.432 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.158 -4.757 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.005 -6.969 0.930 1.00 0.00 H new ATOM 165 N GLU A 11 3.412 -7.867 3.106 1.00 0.00 N ATOM 166 CA GLU A 11 2.808 -8.768 4.073 1.00 0.00 C ATOM 167 C GLU A 11 3.322 -8.458 5.480 1.00 0.00 C ATOM 168 O GLU A 11 2.539 -8.352 6.422 1.00 0.00 O ATOM 169 CB GLU A 11 3.073 -10.228 3.702 1.00 0.00 C ATOM 170 CG GLU A 11 1.763 -10.971 3.432 1.00 0.00 C ATOM 171 CD GLU A 11 1.814 -12.393 3.994 1.00 0.00 C ATOM 172 OE1 GLU A 11 2.153 -12.518 5.191 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.513 -13.323 3.215 1.00 0.00 O ATOM 0 H GLU A 11 3.967 -8.326 2.384 1.00 0.00 H new ATOM 0 HA GLU A 11 1.729 -8.614 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.710 -10.273 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.614 -10.720 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.933 -10.427 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.575 -11.007 2.359 1.00 0.00 H new ATOM 180 N LYS A 12 4.636 -8.320 5.578 1.00 0.00 N ATOM 181 CA LYS A 12 5.265 -8.025 6.855 1.00 0.00 C ATOM 182 C LYS A 12 4.482 -6.914 7.559 1.00 0.00 C ATOM 183 O LYS A 12 4.475 -6.837 8.786 1.00 0.00 O ATOM 184 CB LYS A 12 6.748 -7.703 6.660 1.00 0.00 C ATOM 185 CG LYS A 12 7.559 -8.083 7.901 1.00 0.00 C ATOM 186 CD LYS A 12 9.057 -7.897 7.655 1.00 0.00 C ATOM 187 CE LYS A 12 9.882 -8.740 8.630 1.00 0.00 C ATOM 188 NZ LYS A 12 11.224 -8.146 8.821 1.00 0.00 N ATOM 0 H LYS A 12 5.283 -8.407 4.794 1.00 0.00 H new ATOM 0 HA LYS A 12 5.235 -8.899 7.506 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.130 -8.241 5.793 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.869 -6.640 6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.247 -7.469 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.357 -9.120 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.299 -8.179 6.630 1.00 0.00 H new ATOM 0 HD3 LYS A 12 9.320 -6.845 7.766 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.367 -8.806 9.589 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.979 -9.757 8.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.771 -8.730 9.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.719 -8.105 7.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.127 -7.184 9.205 1.00 0.00 H new ATOM 202 N TYR A 13 3.841 -6.082 6.751 1.00 0.00 N ATOM 203 CA TYR A 13 3.057 -4.980 7.280 1.00 0.00 C ATOM 204 C TYR A 13 1.580 -5.362 7.394 1.00 0.00 C ATOM 205 O TYR A 13 0.955 -5.138 8.429 1.00 0.00 O ATOM 206 CB TYR A 13 3.200 -3.838 6.272 1.00 0.00 C ATOM 207 CG TYR A 13 4.432 -2.960 6.497 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.688 -3.530 6.539 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.288 -1.596 6.658 1.00 0.00 C ATOM 210 CE1 TYR A 13 6.848 -2.704 6.750 1.00 0.00 C ATOM 211 CE2 TYR A 13 5.448 -0.770 6.869 1.00 0.00 C ATOM 212 CZ TYR A 13 6.671 -1.364 6.905 1.00 0.00 C ATOM 213 OH TYR A 13 7.766 -0.583 7.105 1.00 0.00 O ATOM 0 H TYR A 13 3.849 -6.150 5.733 1.00 0.00 H new ATOM 0 HA TYR A 13 3.406 -4.705 8.275 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.244 -4.258 5.267 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.308 -3.213 6.317 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.801 -4.597 6.413 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.305 -1.149 6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.836 -3.138 6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.349 0.298 6.996 1.00 0.00 H new ATOM 0 HH TYR A 13 7.488 0.352 7.198 1.00 0.00 H new ATOM 223 N ALA A 14 1.065 -5.934 6.315 1.00 0.00 N ATOM 224 CA ALA A 14 -0.327 -6.350 6.281 1.00 0.00 C ATOM 225 C ALA A 14 -0.616 -7.248 7.485 1.00 0.00 C ATOM 226 O ALA A 14 -1.729 -7.251 8.009 1.00 0.00 O ATOM 227 CB ALA A 14 -0.619 -7.046 4.950 1.00 0.00 C ATOM 0 H ALA A 14 1.587 -6.119 5.458 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.988 -5.486 6.349 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.663 -7.358 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.426 -6.356 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.024 -7.920 4.848 1.00 0.00 H new ATOM 233 N ALA A 15 0.405 -7.990 7.888 1.00 0.00 N ATOM 234 CA ALA A 15 0.275 -8.891 9.021 1.00 0.00 C ATOM 235 C ALA A 15 0.091 -8.072 10.300 1.00 0.00 C ATOM 236 O ALA A 15 -0.642 -8.477 11.201 1.00 0.00 O ATOM 237 CB ALA A 15 1.497 -9.809 9.087 1.00 0.00 C ATOM 0 H ALA A 15 1.326 -7.986 7.450 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.603 -9.526 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.399 -10.485 9.937 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.566 -10.390 8.167 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.398 -9.207 9.204 1.00 0.00 H new ATOM 243 N LYS A 16 0.770 -6.934 10.339 1.00 0.00 N ATOM 244 CA LYS A 16 0.691 -6.055 11.493 1.00 0.00 C ATOM 245 C LYS A 16 -0.775 -5.722 11.775 1.00 0.00 C ATOM 246 O LYS A 16 -1.284 -6.011 12.858 1.00 0.00 O ATOM 247 CB LYS A 16 1.573 -4.822 11.288 1.00 0.00 C ATOM 248 CG LYS A 16 2.651 -4.733 12.370 1.00 0.00 C ATOM 249 CD LYS A 16 3.368 -3.382 12.321 1.00 0.00 C ATOM 250 CE LYS A 16 3.790 -2.934 13.721 1.00 0.00 C ATOM 251 NZ LYS A 16 3.152 -1.645 14.068 1.00 0.00 N ATOM 0 H LYS A 16 1.377 -6.601 9.590 1.00 0.00 H new ATOM 0 HA LYS A 16 1.081 -6.554 12.380 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.042 -4.865 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.957 -3.923 11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.198 -4.873 13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.374 -5.537 12.235 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.246 -3.455 11.679 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.711 -2.633 11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.510 -3.693 14.452 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.874 -2.833 13.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.450 -1.356 15.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.439 -0.919 13.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.118 -1.752 14.046 1.00 0.00 H new ATOM 265 N GLU A 17 -1.414 -5.118 10.784 1.00 0.00 N ATOM 266 CA GLU A 17 -2.812 -4.743 10.912 1.00 0.00 C ATOM 267 C GLU A 17 -3.677 -5.591 9.978 1.00 0.00 C ATOM 268 O GLU A 17 -3.389 -5.698 8.786 1.00 0.00 O ATOM 269 CB GLU A 17 -3.006 -3.251 10.636 1.00 0.00 C ATOM 270 CG GLU A 17 -2.253 -2.401 11.661 1.00 0.00 C ATOM 271 CD GLU A 17 -3.131 -1.259 12.178 1.00 0.00 C ATOM 272 OE1 GLU A 17 -3.169 -0.216 11.490 1.00 0.00 O ATOM 273 OE2 GLU A 17 -3.744 -1.455 13.249 1.00 0.00 O ATOM 0 H GLU A 17 -0.989 -4.879 9.888 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.127 -4.933 11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.653 -3.014 9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.068 -3.007 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.936 -3.027 12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.350 -1.993 11.207 1.00 0.00 H new ATOM 280 N GLY A 18 -4.720 -6.172 10.553 1.00 0.00 N ATOM 281 CA GLY A 18 -5.629 -7.006 9.787 1.00 0.00 C ATOM 282 C GLY A 18 -4.874 -8.135 9.081 1.00 0.00 C ATOM 283 O GLY A 18 -3.655 -8.245 9.207 1.00 0.00 O ATOM 0 H GLY A 18 -4.955 -6.081 11.541 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.386 -7.428 10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.153 -6.397 9.050 1.00 0.00 H new ATOM 287 N ASP A 19 -5.629 -8.946 8.355 1.00 0.00 N ATOM 288 CA ASP A 19 -5.047 -10.062 7.630 1.00 0.00 C ATOM 289 C ASP A 19 -3.799 -9.585 6.884 1.00 0.00 C ATOM 290 O ASP A 19 -3.598 -8.384 6.709 1.00 0.00 O ATOM 291 CB ASP A 19 -6.029 -10.621 6.598 1.00 0.00 C ATOM 292 CG ASP A 19 -6.303 -12.122 6.714 1.00 0.00 C ATOM 293 OD1 ASP A 19 -5.949 -12.684 7.773 1.00 0.00 O ATOM 294 OD2 ASP A 19 -6.862 -12.673 5.741 1.00 0.00 O ATOM 0 H ASP A 19 -6.640 -8.852 8.253 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.800 -10.840 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.974 -10.086 6.691 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.642 -10.413 5.600 1.00 0.00 H new ATOM 299 N PRO A 20 -2.973 -10.575 6.454 1.00 0.00 N ATOM 300 CA PRO A 20 -1.750 -10.269 5.731 1.00 0.00 C ATOM 301 C PRO A 20 -2.054 -9.850 4.292 1.00 0.00 C ATOM 302 O PRO A 20 -1.146 -9.506 3.536 1.00 0.00 O ATOM 303 CB PRO A 20 -0.914 -11.535 5.818 1.00 0.00 C ATOM 304 CG PRO A 20 -1.882 -12.650 6.180 1.00 0.00 C ATOM 305 CD PRO A 20 -3.179 -12.008 6.644 1.00 0.00 C ATOM 0 HA PRO A 20 -1.211 -9.422 6.156 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.418 -11.741 4.870 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.133 -11.436 6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.061 -13.294 5.319 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.464 -13.278 6.967 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.028 -12.366 6.062 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.386 -12.243 7.688 1.00 0.00 H new ATOM 313 N ASN A 21 -3.335 -9.893 3.955 1.00 0.00 N ATOM 314 CA ASN A 21 -3.770 -9.523 2.619 1.00 0.00 C ATOM 315 C ASN A 21 -4.447 -8.152 2.670 1.00 0.00 C ATOM 316 O ASN A 21 -4.669 -7.526 1.634 1.00 0.00 O ATOM 317 CB ASN A 21 -4.783 -10.530 2.071 1.00 0.00 C ATOM 318 CG ASN A 21 -4.082 -11.792 1.565 1.00 0.00 C ATOM 319 OD1 ASN A 21 -3.034 -11.744 0.941 1.00 0.00 O ATOM 320 ND2 ASN A 21 -4.716 -12.921 1.868 1.00 0.00 N ATOM 0 H ASN A 21 -4.085 -10.178 4.584 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.893 -9.505 1.972 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.497 -10.794 2.851 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.351 -10.075 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.328 -13.818 1.575 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.590 -12.890 2.393 1.00 0.00 H new ATOM 327 N GLN A 22 -4.758 -7.725 3.885 1.00 0.00 N ATOM 328 CA GLN A 22 -5.405 -6.440 4.085 1.00 0.00 C ATOM 329 C GLN A 22 -4.400 -5.416 4.619 1.00 0.00 C ATOM 330 O GLN A 22 -3.574 -5.739 5.470 1.00 0.00 O ATOM 331 CB GLN A 22 -6.606 -6.570 5.024 1.00 0.00 C ATOM 332 CG GLN A 22 -7.883 -6.882 4.240 1.00 0.00 C ATOM 333 CD GLN A 22 -9.054 -7.154 5.187 1.00 0.00 C ATOM 334 OE1 GLN A 22 -9.278 -6.449 6.157 1.00 0.00 O ATOM 335 NE2 GLN A 22 -9.786 -8.212 4.852 1.00 0.00 N ATOM 0 H GLN A 22 -4.574 -8.247 4.742 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.775 -6.089 3.122 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.420 -7.360 5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.736 -5.644 5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -8.126 -6.045 3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.719 -7.749 3.600 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.543 -8.759 4.026 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.591 -8.476 5.421 1.00 0.00 H new ATOM 344 N LEU A 23 -4.505 -4.204 4.096 1.00 0.00 N ATOM 345 CA LEU A 23 -3.616 -3.131 4.509 1.00 0.00 C ATOM 346 C LEU A 23 -4.423 -2.062 5.249 1.00 0.00 C ATOM 347 O LEU A 23 -5.650 -2.128 5.296 1.00 0.00 O ATOM 348 CB LEU A 23 -2.833 -2.592 3.310 1.00 0.00 C ATOM 349 CG LEU A 23 -1.648 -3.440 2.846 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.326 -2.860 3.353 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.827 -4.903 3.257 1.00 0.00 C ATOM 0 H LEU A 23 -5.192 -3.941 3.390 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.867 -3.504 5.207 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.522 -2.478 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.466 -1.596 3.559 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.614 -3.413 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.500 -3.482 3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.202 -1.847 2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.333 -2.837 4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.971 -5.484 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.901 -4.970 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.737 -5.299 2.807 1.00 0.00 H new ATOM 363 N SER A 24 -3.700 -1.102 5.807 1.00 0.00 N ATOM 364 CA SER A 24 -4.334 -0.020 6.542 1.00 0.00 C ATOM 365 C SER A 24 -3.643 1.306 6.219 1.00 0.00 C ATOM 366 O SER A 24 -2.460 1.329 5.883 1.00 0.00 O ATOM 367 CB SER A 24 -4.299 -0.283 8.049 1.00 0.00 C ATOM 368 OG SER A 24 -4.915 -1.523 8.388 1.00 0.00 O ATOM 0 H SER A 24 -2.682 -1.051 5.765 1.00 0.00 H new ATOM 0 HA SER A 24 -5.378 0.037 6.235 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.265 -0.286 8.393 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.806 0.529 8.571 1.00 0.00 H new ATOM 0 HG SER A 24 -5.015 -1.583 9.361 1.00 0.00 H new ATOM 374 N LYS A 25 -4.412 2.380 6.331 1.00 0.00 N ATOM 375 CA LYS A 25 -3.889 3.707 6.055 1.00 0.00 C ATOM 376 C LYS A 25 -2.577 3.902 6.818 1.00 0.00 C ATOM 377 O LYS A 25 -1.539 4.169 6.215 1.00 0.00 O ATOM 378 CB LYS A 25 -4.943 4.773 6.362 1.00 0.00 C ATOM 379 CG LYS A 25 -4.523 6.135 5.808 1.00 0.00 C ATOM 380 CD LYS A 25 -4.958 7.266 6.743 1.00 0.00 C ATOM 381 CE LYS A 25 -3.864 7.584 7.764 1.00 0.00 C ATOM 382 NZ LYS A 25 -4.153 6.924 9.057 1.00 0.00 N ATOM 0 H LYS A 25 -5.393 2.358 6.609 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.661 3.814 4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.899 4.479 5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.090 4.844 7.440 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.441 6.161 5.679 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.965 6.283 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.186 8.158 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.873 6.982 7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.898 7.250 7.386 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.794 8.662 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.534 7.319 9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.147 7.087 9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.981 5.902 8.971 1.00 0.00 H new ATOM 396 N GLU A 26 -2.667 3.761 8.132 1.00 0.00 N ATOM 397 CA GLU A 26 -1.500 3.918 8.983 1.00 0.00 C ATOM 398 C GLU A 26 -0.376 2.988 8.521 1.00 0.00 C ATOM 399 O GLU A 26 0.779 3.402 8.430 1.00 0.00 O ATOM 400 CB GLU A 26 -1.853 3.664 10.450 1.00 0.00 C ATOM 401 CG GLU A 26 -1.510 4.879 11.315 1.00 0.00 C ATOM 402 CD GLU A 26 -0.056 4.822 11.789 1.00 0.00 C ATOM 403 OE1 GLU A 26 0.784 4.359 10.988 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.182 5.244 12.941 1.00 0.00 O ATOM 0 H GLU A 26 -3.530 3.540 8.628 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.151 4.947 8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.916 3.439 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.311 2.791 10.812 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.675 5.794 10.745 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.176 4.916 12.177 1.00 0.00 H new ATOM 411 N GLU A 27 -0.754 1.749 8.241 1.00 0.00 N ATOM 412 CA GLU A 27 0.207 0.757 7.790 1.00 0.00 C ATOM 413 C GLU A 27 0.873 1.215 6.491 1.00 0.00 C ATOM 414 O GLU A 27 2.076 1.467 6.461 1.00 0.00 O ATOM 415 CB GLU A 27 -0.457 -0.609 7.614 1.00 0.00 C ATOM 416 CG GLU A 27 -0.650 -1.304 8.964 1.00 0.00 C ATOM 417 CD GLU A 27 -0.123 -2.740 8.922 1.00 0.00 C ATOM 418 OE1 GLU A 27 -0.891 -3.613 8.463 1.00 0.00 O ATOM 419 OE2 GLU A 27 1.036 -2.931 9.349 1.00 0.00 O ATOM 0 H GLU A 27 -1.713 1.410 8.318 1.00 0.00 H new ATOM 0 HA GLU A 27 0.978 0.653 8.553 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.422 -0.487 7.122 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.155 -1.234 6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.131 -0.745 9.742 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.708 -1.309 9.227 1.00 0.00 H new ATOM 426 N LEU A 28 0.060 1.310 5.449 1.00 0.00 N ATOM 427 CA LEU A 28 0.555 1.733 4.150 1.00 0.00 C ATOM 428 C LEU A 28 1.450 2.962 4.326 1.00 0.00 C ATOM 429 O LEU A 28 2.562 3.004 3.801 1.00 0.00 O ATOM 430 CB LEU A 28 -0.607 1.953 3.179 1.00 0.00 C ATOM 431 CG LEU A 28 -0.285 1.771 1.695 1.00 0.00 C ATOM 432 CD1 LEU A 28 0.744 0.657 1.489 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.559 1.532 0.882 1.00 0.00 C ATOM 0 H LEU A 28 -0.938 1.101 5.478 1.00 0.00 H new ATOM 0 HA LEU A 28 1.169 0.951 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.410 1.265 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.991 2.963 3.326 1.00 0.00 H new ATOM 0 HG LEU A 28 0.163 2.694 1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.955 0.549 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.664 0.909 2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.347 -0.281 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.301 1.406 -0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.058 0.633 1.244 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.226 2.387 0.992 1.00 0.00 H new ATOM 445 N LYS A 29 0.932 3.931 5.066 1.00 0.00 N ATOM 446 CA LYS A 29 1.671 5.156 5.317 1.00 0.00 C ATOM 447 C LYS A 29 3.142 4.818 5.569 1.00 0.00 C ATOM 448 O LYS A 29 4.025 5.318 4.875 1.00 0.00 O ATOM 449 CB LYS A 29 1.020 5.951 6.451 1.00 0.00 C ATOM 450 CG LYS A 29 1.693 7.315 6.622 1.00 0.00 C ATOM 451 CD LYS A 29 0.680 8.376 7.057 1.00 0.00 C ATOM 452 CE LYS A 29 1.047 9.749 6.491 1.00 0.00 C ATOM 453 NZ LYS A 29 0.584 10.824 7.397 1.00 0.00 N ATOM 0 H LYS A 29 0.010 3.893 5.500 1.00 0.00 H new ATOM 0 HA LYS A 29 1.639 5.806 4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.041 6.089 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.090 5.388 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.489 7.241 7.363 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.159 7.615 5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.316 8.093 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.644 8.425 8.145 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.127 9.817 6.358 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.596 9.876 5.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.841 11.749 6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.449 10.768 7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.034 10.711 8.328 1.00 0.00 H new ATOM 467 N LEU A 30 3.359 3.971 6.565 1.00 0.00 N ATOM 468 CA LEU A 30 4.707 3.560 6.917 1.00 0.00 C ATOM 469 C LEU A 30 5.408 3.006 5.675 1.00 0.00 C ATOM 470 O LEU A 30 6.468 3.494 5.286 1.00 0.00 O ATOM 471 CB LEU A 30 4.679 2.583 8.094 1.00 0.00 C ATOM 472 CG LEU A 30 4.047 3.107 9.385 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.419 2.222 10.576 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.419 4.572 9.623 1.00 0.00 C ATOM 0 H LEU A 30 2.624 3.558 7.139 1.00 0.00 H new ATOM 0 HA LEU A 30 5.289 4.416 7.257 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.138 1.688 7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.702 2.278 8.312 1.00 0.00 H new ATOM 0 HG LEU A 30 2.963 3.063 9.276 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.957 2.617 11.481 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.063 1.207 10.400 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.502 2.211 10.697 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.957 4.919 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.502 4.664 9.702 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.063 5.178 8.789 1.00 0.00 H new ATOM 486 N LEU A 31 4.787 1.994 5.086 1.00 0.00 N ATOM 487 CA LEU A 31 5.337 1.368 3.896 1.00 0.00 C ATOM 488 C LEU A 31 5.740 2.452 2.895 1.00 0.00 C ATOM 489 O LEU A 31 6.922 2.622 2.600 1.00 0.00 O ATOM 490 CB LEU A 31 4.356 0.340 3.328 1.00 0.00 C ATOM 491 CG LEU A 31 4.975 -0.807 2.527 1.00 0.00 C ATOM 492 CD1 LEU A 31 4.947 -2.111 3.326 1.00 0.00 C ATOM 493 CD2 LEU A 31 4.294 -0.954 1.165 1.00 0.00 C ATOM 0 H LEU A 31 3.908 1.592 5.411 1.00 0.00 H new ATOM 0 HA LEU A 31 6.240 0.809 4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.788 -0.086 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.645 0.861 2.688 1.00 0.00 H new ATOM 0 HG LEU A 31 6.022 -0.567 2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.393 -2.910 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.513 -1.984 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.915 -2.369 3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.753 -1.776 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.234 -1.161 1.309 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.410 -0.030 0.599 1.00 0.00 H new ATOM 505 N LEU A 32 4.734 3.159 2.400 1.00 0.00 N ATOM 506 CA LEU A 32 4.968 4.222 1.438 1.00 0.00 C ATOM 507 C LEU A 32 6.064 5.150 1.967 1.00 0.00 C ATOM 508 O LEU A 32 6.708 5.858 1.195 1.00 0.00 O ATOM 509 CB LEU A 32 3.660 4.942 1.105 1.00 0.00 C ATOM 510 CG LEU A 32 2.557 4.078 0.490 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.344 4.929 0.107 1.00 0.00 C ATOM 512 CD2 LEU A 32 3.089 3.273 -0.697 1.00 0.00 C ATOM 0 H LEU A 32 3.755 3.016 2.648 1.00 0.00 H new ATOM 0 HA LEU A 32 5.326 3.810 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.274 5.393 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.882 5.757 0.416 1.00 0.00 H new ATOM 0 HG LEU A 32 2.225 3.362 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.575 4.291 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.949 5.420 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.644 5.683 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.285 2.668 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.465 3.955 -1.460 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.897 2.622 -0.362 1.00 0.00 H new ATOM 524 N GLN A 33 6.240 5.117 3.279 1.00 0.00 N ATOM 525 CA GLN A 33 7.246 5.946 3.920 1.00 0.00 C ATOM 526 C GLN A 33 8.649 5.433 3.587 1.00 0.00 C ATOM 527 O GLN A 33 9.467 6.167 3.036 1.00 0.00 O ATOM 528 CB GLN A 33 7.028 6.001 5.434 1.00 0.00 C ATOM 529 CG GLN A 33 7.147 7.436 5.953 1.00 0.00 C ATOM 530 CD GLN A 33 7.024 7.479 7.477 1.00 0.00 C ATOM 531 OE1 GLN A 33 7.986 7.308 8.208 1.00 0.00 O ATOM 532 NE2 GLN A 33 5.791 7.717 7.914 1.00 0.00 N ATOM 0 H GLN A 33 5.703 4.529 3.916 1.00 0.00 H new ATOM 0 HA GLN A 33 7.151 6.961 3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.043 5.603 5.678 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.761 5.368 5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.105 7.858 5.650 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.370 8.055 5.504 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.031 7.851 7.247 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.605 7.766 8.916 1.00 0.00 H new ATOM 541 N THR A 34 8.882 4.176 3.935 1.00 0.00 N ATOM 542 CA THR A 34 10.171 3.556 3.679 1.00 0.00 C ATOM 543 C THR A 34 10.206 2.958 2.272 1.00 0.00 C ATOM 544 O THR A 34 11.131 3.220 1.504 1.00 0.00 O ATOM 545 CB THR A 34 10.429 2.528 4.783 1.00 0.00 C ATOM 546 OG1 THR A 34 11.345 3.179 5.658 1.00 0.00 O ATOM 547 CG2 THR A 34 11.200 1.307 4.277 1.00 0.00 C ATOM 0 H THR A 34 8.200 3.570 4.392 1.00 0.00 H new ATOM 0 HA THR A 34 10.975 4.291 3.705 1.00 0.00 H new ATOM 0 HB THR A 34 9.478 2.207 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.565 2.583 6.404 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.357 0.609 5.099 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.628 0.817 3.489 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.165 1.624 3.882 1.00 0.00 H new ATOM 555 N GLU A 35 9.186 2.166 1.975 1.00 0.00 N ATOM 556 CA GLU A 35 9.088 1.528 0.672 1.00 0.00 C ATOM 557 C GLU A 35 9.335 2.551 -0.439 1.00 0.00 C ATOM 558 O GLU A 35 10.320 2.453 -1.169 1.00 0.00 O ATOM 559 CB GLU A 35 7.731 0.845 0.497 1.00 0.00 C ATOM 560 CG GLU A 35 7.578 0.283 -0.918 1.00 0.00 C ATOM 561 CD GLU A 35 6.223 0.664 -1.516 1.00 0.00 C ATOM 562 OE1 GLU A 35 5.851 1.849 -1.370 1.00 0.00 O ATOM 563 OE2 GLU A 35 5.589 -0.238 -2.105 1.00 0.00 O ATOM 0 H GLU A 35 8.420 1.951 2.614 1.00 0.00 H new ATOM 0 HA GLU A 35 9.856 0.757 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.629 0.040 1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.932 1.559 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.379 0.663 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.677 -0.802 -0.895 1.00 0.00 H new ATOM 570 N PHE A 36 8.424 3.508 -0.531 1.00 0.00 N ATOM 571 CA PHE A 36 8.530 4.547 -1.541 1.00 0.00 C ATOM 572 C PHE A 36 7.915 5.858 -1.046 1.00 0.00 C ATOM 573 O PHE A 36 6.718 6.087 -1.211 1.00 0.00 O ATOM 574 CB PHE A 36 7.752 4.063 -2.766 1.00 0.00 C ATOM 575 CG PHE A 36 8.588 3.244 -3.751 1.00 0.00 C ATOM 576 CD1 PHE A 36 9.597 3.837 -4.443 1.00 0.00 C ATOM 577 CD2 PHE A 36 8.322 1.923 -3.935 1.00 0.00 C ATOM 578 CE1 PHE A 36 10.373 3.077 -5.358 1.00 0.00 C ATOM 579 CE2 PHE A 36 9.098 1.163 -4.850 1.00 0.00 C ATOM 580 CZ PHE A 36 10.108 1.756 -5.542 1.00 0.00 C ATOM 0 H PHE A 36 7.609 3.586 0.077 1.00 0.00 H new ATOM 0 HA PHE A 36 9.579 4.733 -1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.908 3.459 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.340 4.927 -3.286 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.808 4.886 -4.297 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.521 1.452 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.174 3.548 -5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.886 0.114 -4.996 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.699 1.178 -6.237 1.00 0.00 H new ATOM 590 N PRO A 37 8.784 6.705 -0.433 1.00 0.00 N ATOM 591 CA PRO A 37 8.339 7.987 0.087 1.00 0.00 C ATOM 592 C PRO A 37 8.108 8.988 -1.046 1.00 0.00 C ATOM 593 O PRO A 37 7.381 9.966 -0.877 1.00 0.00 O ATOM 594 CB PRO A 37 9.431 8.421 1.051 1.00 0.00 C ATOM 595 CG PRO A 37 10.658 7.601 0.688 1.00 0.00 C ATOM 596 CD PRO A 37 10.209 6.467 -0.219 1.00 0.00 C ATOM 0 HA PRO A 37 7.378 7.923 0.598 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.633 9.488 0.958 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.133 8.242 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.397 8.223 0.184 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.133 7.206 1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.757 6.473 -1.161 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.383 5.496 0.245 1.00 0.00 H new ATOM 604 N SER A 38 8.741 8.710 -2.176 1.00 0.00 N ATOM 605 CA SER A 38 8.614 9.575 -3.337 1.00 0.00 C ATOM 606 C SER A 38 7.195 9.486 -3.903 1.00 0.00 C ATOM 607 O SER A 38 6.677 10.461 -4.444 1.00 0.00 O ATOM 608 CB SER A 38 9.638 9.207 -4.413 1.00 0.00 C ATOM 609 OG SER A 38 9.679 7.803 -4.653 1.00 0.00 O ATOM 0 H SER A 38 9.343 7.898 -2.313 1.00 0.00 H new ATOM 0 HA SER A 38 8.810 10.600 -3.023 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.393 9.726 -5.340 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.626 9.551 -4.106 1.00 0.00 H new ATOM 0 HG SER A 38 10.343 7.609 -5.347 1.00 0.00 H new ATOM 615 N LEU A 39 6.607 8.308 -3.758 1.00 0.00 N ATOM 616 CA LEU A 39 5.258 8.079 -4.247 1.00 0.00 C ATOM 617 C LEU A 39 4.279 8.952 -3.459 1.00 0.00 C ATOM 618 O LEU A 39 3.190 9.258 -3.940 1.00 0.00 O ATOM 619 CB LEU A 39 4.920 6.587 -4.209 1.00 0.00 C ATOM 620 CG LEU A 39 4.692 5.917 -5.565 1.00 0.00 C ATOM 621 CD1 LEU A 39 3.300 6.244 -6.111 1.00 0.00 C ATOM 622 CD2 LEU A 39 5.797 6.290 -6.555 1.00 0.00 C ATOM 0 H LEU A 39 7.040 7.501 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 39 5.177 8.374 -5.293 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.729 6.064 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.023 6.453 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 39 4.738 4.837 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.164 5.755 -7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.542 5.887 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.201 7.323 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.610 5.800 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.808 7.371 -6.697 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.761 5.966 -6.163 1.00 0.00 H new ATOM 634 N LEU A 40 4.704 9.327 -2.261 1.00 0.00 N ATOM 635 CA LEU A 40 3.878 10.159 -1.402 1.00 0.00 C ATOM 636 C LEU A 40 3.892 11.597 -1.925 1.00 0.00 C ATOM 637 O LEU A 40 2.847 12.242 -2.005 1.00 0.00 O ATOM 638 CB LEU A 40 4.323 10.030 0.056 1.00 0.00 C ATOM 639 CG LEU A 40 4.049 8.682 0.725 1.00 0.00 C ATOM 640 CD1 LEU A 40 4.937 8.490 1.956 1.00 0.00 C ATOM 641 CD2 LEU A 40 2.564 8.528 1.060 1.00 0.00 C ATOM 0 H LEU A 40 5.608 9.070 -1.865 1.00 0.00 H new ATOM 0 HA LEU A 40 2.842 9.821 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.394 10.227 0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.828 10.808 0.636 1.00 0.00 H new ATOM 0 HG LEU A 40 4.303 7.892 0.018 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.722 7.524 2.413 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.985 8.525 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.738 9.284 2.676 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.396 7.561 1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.260 9.324 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.976 8.589 0.144 1.00 0.00 H new ATOM 653 N LYS A 41 5.086 12.057 -2.268 1.00 0.00 N ATOM 654 CA LYS A 41 5.249 13.406 -2.781 1.00 0.00 C ATOM 655 C LYS A 41 4.441 13.558 -4.071 1.00 0.00 C ATOM 656 O LYS A 41 4.019 14.660 -4.417 1.00 0.00 O ATOM 657 CB LYS A 41 6.733 13.742 -2.942 1.00 0.00 C ATOM 658 CG LYS A 41 7.332 13.019 -4.150 1.00 0.00 C ATOM 659 CD LYS A 41 8.216 13.960 -4.970 1.00 0.00 C ATOM 660 CE LYS A 41 7.620 14.203 -6.358 1.00 0.00 C ATOM 661 NZ LYS A 41 6.694 15.357 -6.329 1.00 0.00 N ATOM 0 H LYS A 41 5.950 11.519 -2.201 1.00 0.00 H new ATOM 0 HA LYS A 41 4.856 14.133 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.855 14.819 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.274 13.458 -2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.919 12.165 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.531 12.628 -4.778 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.326 14.910 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.214 13.533 -5.069 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.419 14.388 -7.076 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.090 13.312 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.377 15.572 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.870 15.126 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 7.183 16.185 -5.933 1.00 0.00 H new ATOM 675 N GLY A 42 4.249 12.435 -4.747 1.00 0.00 N ATOM 676 CA GLY A 42 3.499 12.429 -5.992 1.00 0.00 C ATOM 677 C GLY A 42 2.151 13.131 -5.822 1.00 0.00 C ATOM 678 O GLY A 42 1.764 13.481 -4.708 1.00 0.00 O ATOM 0 H GLY A 42 4.600 11.522 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.077 12.926 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.340 11.402 -6.320 1.00 0.00 H new ATOM 682 N MET A 43 1.471 13.317 -6.944 1.00 0.00 N ATOM 683 CA MET A 43 0.174 13.972 -6.934 1.00 0.00 C ATOM 684 C MET A 43 -0.827 13.191 -6.080 1.00 0.00 C ATOM 685 O MET A 43 -1.842 13.738 -5.650 1.00 0.00 O ATOM 686 CB MET A 43 -0.354 14.083 -8.366 1.00 0.00 C ATOM 687 CG MET A 43 0.447 15.111 -9.167 1.00 0.00 C ATOM 688 SD MET A 43 -0.449 16.653 -9.249 1.00 0.00 S ATOM 689 CE MET A 43 0.350 17.546 -7.926 1.00 0.00 C ATOM 0 H MET A 43 1.794 13.025 -7.866 1.00 0.00 H new ATOM 0 HA MET A 43 0.293 14.966 -6.504 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.296 13.111 -8.855 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.406 14.369 -8.349 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.419 15.270 -8.701 1.00 0.00 H new ATOM 0 HG3 MET A 43 0.634 14.735 -10.173 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.079 18.600 -7.983 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.028 17.140 -6.967 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.431 17.443 -8.019 1.00 0.00 H new ATOM 699 N SER A 44 -0.507 11.925 -5.859 1.00 0.00 N ATOM 700 CA SER A 44 -1.366 11.063 -5.064 1.00 0.00 C ATOM 701 C SER A 44 -0.805 10.930 -3.646 1.00 0.00 C ATOM 702 O SER A 44 0.102 10.134 -3.406 1.00 0.00 O ATOM 703 CB SER A 44 -1.511 9.684 -5.709 1.00 0.00 C ATOM 704 OG SER A 44 -1.797 9.773 -7.102 1.00 0.00 O ATOM 0 H SER A 44 0.335 11.475 -6.217 1.00 0.00 H new ATOM 0 HA SER A 44 -2.356 11.517 -5.015 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.591 9.117 -5.563 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.308 9.132 -5.210 1.00 0.00 H new ATOM 0 HG SER A 44 -1.881 8.871 -7.477 1.00 0.00 H new ATOM 710 N THR A 45 -1.368 11.720 -2.745 1.00 0.00 N ATOM 711 CA THR A 45 -0.936 11.700 -1.358 1.00 0.00 C ATOM 712 C THR A 45 -1.481 10.460 -0.647 1.00 0.00 C ATOM 713 O THR A 45 -2.328 9.751 -1.189 1.00 0.00 O ATOM 714 CB THR A 45 -1.372 13.014 -0.707 1.00 0.00 C ATOM 715 OG1 THR A 45 -2.782 12.877 -0.559 1.00 0.00 O ATOM 716 CG2 THR A 45 -1.211 14.213 -1.645 1.00 0.00 C ATOM 0 H THR A 45 -2.120 12.379 -2.948 1.00 0.00 H new ATOM 0 HA THR A 45 0.149 11.628 -1.284 1.00 0.00 H new ATOM 0 HB THR A 45 -0.790 13.181 0.199 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.147 13.685 -0.142 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.534 15.120 -1.135 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.164 14.312 -1.933 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.820 14.062 -2.537 1.00 0.00 H new ATOM 724 N LEU A 46 -0.974 10.236 0.556 1.00 0.00 N ATOM 725 CA LEU A 46 -1.399 9.094 1.347 1.00 0.00 C ATOM 726 C LEU A 46 -2.921 8.960 1.264 1.00 0.00 C ATOM 727 O LEU A 46 -3.433 7.979 0.725 1.00 0.00 O ATOM 728 CB LEU A 46 -0.869 9.205 2.778 1.00 0.00 C ATOM 729 CG LEU A 46 -0.774 7.895 3.562 1.00 0.00 C ATOM 730 CD1 LEU A 46 -2.105 7.563 4.239 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.286 6.754 2.666 1.00 0.00 C ATOM 0 H LEU A 46 -0.272 10.826 1.003 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.975 8.174 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.122 9.657 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.512 9.890 3.330 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.034 8.023 4.352 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.010 6.627 4.789 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.372 8.364 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.883 7.461 3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.227 5.834 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.983 6.617 1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.701 6.997 2.272 1.00 0.00 H new ATOM 743 N ASP A 47 -3.602 9.960 1.805 1.00 0.00 N ATOM 744 CA ASP A 47 -5.055 9.966 1.798 1.00 0.00 C ATOM 745 C ASP A 47 -5.556 9.598 0.400 1.00 0.00 C ATOM 746 O ASP A 47 -6.470 8.788 0.258 1.00 0.00 O ATOM 747 CB ASP A 47 -5.601 11.352 2.146 1.00 0.00 C ATOM 748 CG ASP A 47 -6.054 11.523 3.598 1.00 0.00 C ATOM 749 OD1 ASP A 47 -5.160 11.547 4.472 1.00 0.00 O ATOM 750 OD2 ASP A 47 -7.283 11.625 3.801 1.00 0.00 O ATOM 0 H ASP A 47 -3.174 10.772 2.251 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.399 9.246 2.540 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.831 12.093 1.932 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.444 11.569 1.490 1.00 0.00 H new ATOM 755 N GLU A 48 -4.935 10.211 -0.597 1.00 0.00 N ATOM 756 CA GLU A 48 -5.306 9.958 -1.979 1.00 0.00 C ATOM 757 C GLU A 48 -5.233 8.460 -2.282 1.00 0.00 C ATOM 758 O GLU A 48 -6.129 7.908 -2.918 1.00 0.00 O ATOM 759 CB GLU A 48 -4.422 10.756 -2.939 1.00 0.00 C ATOM 760 CG GLU A 48 -5.222 11.863 -3.629 1.00 0.00 C ATOM 761 CD GLU A 48 -4.655 12.165 -5.018 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.569 11.208 -5.816 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.320 13.347 -5.249 1.00 0.00 O ATOM 0 H GLU A 48 -4.177 10.883 -0.475 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.334 10.289 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.587 11.193 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.997 10.088 -3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.266 11.562 -3.716 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.201 12.766 -3.019 1.00 0.00 H new ATOM 770 N LEU A 49 -4.157 7.846 -1.813 1.00 0.00 N ATOM 771 CA LEU A 49 -3.955 6.423 -2.027 1.00 0.00 C ATOM 772 C LEU A 49 -5.044 5.641 -1.289 1.00 0.00 C ATOM 773 O LEU A 49 -5.813 4.908 -1.908 1.00 0.00 O ATOM 774 CB LEU A 49 -2.533 6.018 -1.631 1.00 0.00 C ATOM 775 CG LEU A 49 -1.707 5.324 -2.716 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.852 6.334 -3.484 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.864 4.193 -2.124 1.00 0.00 C ATOM 0 H LEU A 49 -3.416 8.308 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.048 6.180 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.998 6.912 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.592 5.355 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.394 4.873 -3.432 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.275 5.815 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.499 7.073 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.172 6.834 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.287 3.716 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.185 4.599 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.519 3.456 -1.659 1.00 0.00 H new ATOM 789 N PHE A 50 -5.074 5.825 0.023 1.00 0.00 N ATOM 790 CA PHE A 50 -6.056 5.146 0.851 1.00 0.00 C ATOM 791 C PHE A 50 -7.439 5.176 0.197 1.00 0.00 C ATOM 792 O PHE A 50 -8.141 4.166 0.174 1.00 0.00 O ATOM 793 CB PHE A 50 -6.117 5.900 2.181 1.00 0.00 C ATOM 794 CG PHE A 50 -6.813 5.127 3.303 1.00 0.00 C ATOM 795 CD1 PHE A 50 -6.537 3.808 3.493 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.708 5.757 4.110 1.00 0.00 C ATOM 797 CE1 PHE A 50 -7.182 3.091 4.534 1.00 0.00 C ATOM 798 CE2 PHE A 50 -8.353 5.039 5.151 1.00 0.00 C ATOM 799 CZ PHE A 50 -8.077 3.721 5.341 1.00 0.00 C ATOM 0 H PHE A 50 -4.434 6.434 0.533 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.771 4.103 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.102 6.143 2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.638 6.845 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.827 3.307 2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.928 6.803 3.959 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.962 2.045 4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.063 5.540 5.792 1.00 0.00 H new ATOM 0 HZ PHE A 50 -8.568 3.175 6.133 1.00 0.00 H new ATOM 809 N GLU A 51 -7.790 6.345 -0.319 1.00 0.00 N ATOM 810 CA GLU A 51 -9.076 6.520 -0.971 1.00 0.00 C ATOM 811 C GLU A 51 -9.062 5.868 -2.355 1.00 0.00 C ATOM 812 O GLU A 51 -9.960 5.097 -2.691 1.00 0.00 O ATOM 813 CB GLU A 51 -9.446 8.002 -1.067 1.00 0.00 C ATOM 814 CG GLU A 51 -10.872 8.244 -0.569 1.00 0.00 C ATOM 815 CD GLU A 51 -11.247 9.723 -0.680 1.00 0.00 C ATOM 816 OE1 GLU A 51 -10.369 10.556 -0.368 1.00 0.00 O ATOM 817 OE2 GLU A 51 -12.404 9.987 -1.075 1.00 0.00 O ATOM 0 H GLU A 51 -7.205 7.181 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.838 6.028 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.746 8.594 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.356 8.337 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.571 7.643 -1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.959 7.920 0.468 1.00 0.00 H new ATOM 824 N GLU A 52 -8.034 6.202 -3.121 1.00 0.00 N ATOM 825 CA GLU A 52 -7.891 5.658 -4.461 1.00 0.00 C ATOM 826 C GLU A 52 -7.929 4.129 -4.421 1.00 0.00 C ATOM 827 O GLU A 52 -8.732 3.506 -5.114 1.00 0.00 O ATOM 828 CB GLU A 52 -6.605 6.158 -5.121 1.00 0.00 C ATOM 829 CG GLU A 52 -6.593 5.830 -6.616 1.00 0.00 C ATOM 830 CD GLU A 52 -5.288 6.293 -7.268 1.00 0.00 C ATOM 831 OE1 GLU A 52 -5.199 7.506 -7.559 1.00 0.00 O ATOM 832 OE2 GLU A 52 -4.410 5.425 -7.460 1.00 0.00 O ATOM 0 H GLU A 52 -7.292 6.843 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.729 6.006 -5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.515 7.235 -4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.742 5.700 -4.638 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.713 4.756 -6.757 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.439 6.313 -7.105 1.00 0.00 H new ATOM 839 N LEU A 53 -7.051 3.569 -3.602 1.00 0.00 N ATOM 840 CA LEU A 53 -6.973 2.125 -3.462 1.00 0.00 C ATOM 841 C LEU A 53 -8.364 1.572 -3.145 1.00 0.00 C ATOM 842 O LEU A 53 -8.921 0.799 -3.923 1.00 0.00 O ATOM 843 CB LEU A 53 -5.910 1.742 -2.431 1.00 0.00 C ATOM 844 CG LEU A 53 -4.511 2.317 -2.665 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.790 2.560 -1.338 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.700 1.421 -3.603 1.00 0.00 C ATOM 0 H LEU A 53 -6.387 4.089 -3.028 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.653 1.669 -4.399 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.254 2.063 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.834 0.655 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.616 3.284 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.798 2.969 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.362 3.267 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.695 1.618 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.710 1.852 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.601 0.429 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.210 1.343 -4.563 1.00 0.00 H new ATOM 858 N ASP A 54 -8.886 1.991 -2.001 1.00 0.00 N ATOM 859 CA ASP A 54 -10.201 1.548 -1.572 1.00 0.00 C ATOM 860 C ASP A 54 -11.264 2.149 -2.494 1.00 0.00 C ATOM 861 O ASP A 54 -11.648 3.306 -2.332 1.00 0.00 O ATOM 862 CB ASP A 54 -10.499 2.009 -0.144 1.00 0.00 C ATOM 863 CG ASP A 54 -11.984 2.099 0.211 1.00 0.00 C ATOM 864 OD1 ASP A 54 -12.650 1.043 0.137 1.00 0.00 O ATOM 865 OD2 ASP A 54 -12.421 3.221 0.547 1.00 0.00 O ATOM 0 H ASP A 54 -8.421 2.633 -1.358 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.218 0.459 -1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.016 1.323 0.551 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.045 2.988 0.008 1.00 0.00 H new ATOM 947 N VAL A 61 -7.184 -1.771 2.307 1.00 0.00 N ATOM 948 CA VAL A 61 -6.499 -1.980 1.043 1.00 0.00 C ATOM 949 C VAL A 61 -5.995 -3.423 0.973 1.00 0.00 C ATOM 950 O VAL A 61 -5.080 -3.801 1.704 1.00 0.00 O ATOM 951 CB VAL A 61 -5.382 -0.948 0.876 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.626 -1.165 -0.436 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.935 0.476 0.961 1.00 0.00 C ATOM 0 HA VAL A 61 -7.185 -1.835 0.209 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.676 -1.083 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.838 -0.418 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.184 -2.161 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.317 -1.070 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.121 1.190 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.672 0.628 0.172 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.407 0.626 1.932 1.00 0.00 H new ATOM 963 N SER A 62 -6.613 -4.190 0.087 1.00 0.00 N ATOM 964 CA SER A 62 -6.238 -5.583 -0.088 1.00 0.00 C ATOM 965 C SER A 62 -4.979 -5.682 -0.952 1.00 0.00 C ATOM 966 O SER A 62 -4.706 -4.796 -1.761 1.00 0.00 O ATOM 967 CB SER A 62 -7.378 -6.386 -0.716 1.00 0.00 C ATOM 968 OG SER A 62 -8.184 -5.585 -1.576 1.00 0.00 O ATOM 0 H SER A 62 -7.371 -3.873 -0.518 1.00 0.00 H new ATOM 0 HA SER A 62 -6.030 -6.007 0.894 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.965 -7.222 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.000 -6.810 0.072 1.00 0.00 H new ATOM 0 HG SER A 62 -8.900 -6.134 -1.959 1.00 0.00 H new ATOM 974 N PHE A 63 -4.247 -6.768 -0.752 1.00 0.00 N ATOM 975 CA PHE A 63 -3.024 -6.994 -1.504 1.00 0.00 C ATOM 976 C PHE A 63 -3.259 -6.806 -3.004 1.00 0.00 C ATOM 977 O PHE A 63 -2.401 -6.278 -3.710 1.00 0.00 O ATOM 978 CB PHE A 63 -2.599 -8.440 -1.243 1.00 0.00 C ATOM 979 CG PHE A 63 -1.318 -8.854 -1.970 1.00 0.00 C ATOM 980 CD1 PHE A 63 -0.211 -8.067 -1.897 1.00 0.00 C ATOM 981 CD2 PHE A 63 -1.285 -10.008 -2.688 1.00 0.00 C ATOM 982 CE1 PHE A 63 0.979 -8.450 -2.571 1.00 0.00 C ATOM 983 CE2 PHE A 63 -0.096 -10.391 -3.362 1.00 0.00 C ATOM 984 CZ PHE A 63 1.011 -9.605 -3.289 1.00 0.00 C ATOM 0 H PHE A 63 -4.477 -7.501 -0.081 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.259 -6.283 -1.192 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.457 -8.578 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.407 -9.106 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.237 -7.150 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.164 -10.633 -2.746 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.858 -7.825 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -0.071 -11.307 -3.933 1.00 0.00 H new ATOM 0 HZ PHE A 63 1.916 -9.898 -3.801 1.00 0.00 H new ATOM 994 N GLU A 64 -4.426 -7.250 -3.447 1.00 0.00 N ATOM 995 CA GLU A 64 -4.786 -7.138 -4.851 1.00 0.00 C ATOM 996 C GLU A 64 -4.858 -5.667 -5.264 1.00 0.00 C ATOM 997 O GLU A 64 -4.064 -5.210 -6.086 1.00 0.00 O ATOM 998 CB GLU A 64 -6.107 -7.853 -5.137 1.00 0.00 C ATOM 999 CG GLU A 64 -5.906 -9.368 -5.211 1.00 0.00 C ATOM 1000 CD GLU A 64 -6.419 -9.926 -6.541 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -6.189 -9.249 -7.566 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -7.029 -11.016 -6.501 1.00 0.00 O ATOM 0 H GLU A 64 -5.135 -7.688 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.012 -7.625 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.829 -7.616 -4.356 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.524 -7.492 -6.077 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.848 -9.604 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.430 -9.849 -4.385 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.816 -4.966 -4.676 1.00 0.00 N ATOM 1010 CA GLU A 65 -6.002 -3.556 -4.973 1.00 0.00 C ATOM 1011 C GLU A 65 -4.660 -2.822 -4.924 1.00 0.00 C ATOM 1012 O GLU A 65 -4.414 -1.917 -5.720 1.00 0.00 O ATOM 1013 CB GLU A 65 -7.010 -2.922 -4.013 1.00 0.00 C ATOM 1014 CG GLU A 65 -8.446 -3.193 -4.466 1.00 0.00 C ATOM 1015 CD GLU A 65 -9.294 -1.922 -4.392 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -9.193 -1.116 -5.343 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -10.024 -1.784 -3.387 1.00 0.00 O ATOM 0 H GLU A 65 -6.472 -5.348 -3.995 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.406 -3.467 -5.982 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.861 -3.319 -3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.839 -1.847 -3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.443 -3.573 -5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.889 -3.967 -3.839 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.828 -3.239 -3.981 1.00 0.00 N ATOM 1025 CA PHE A 66 -2.518 -2.632 -3.818 1.00 0.00 C ATOM 1026 C PHE A 66 -1.640 -2.884 -5.045 1.00 0.00 C ATOM 1027 O PHE A 66 -0.950 -1.981 -5.515 1.00 0.00 O ATOM 1028 CB PHE A 66 -1.870 -3.290 -2.598 1.00 0.00 C ATOM 1029 CG PHE A 66 -0.432 -2.837 -2.338 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -0.181 -1.554 -1.962 1.00 0.00 C ATOM 1031 CD2 PHE A 66 0.595 -3.716 -2.481 1.00 0.00 C ATOM 1032 CE1 PHE A 66 1.154 -1.133 -1.721 1.00 0.00 C ATOM 1033 CE2 PHE A 66 1.930 -3.296 -2.239 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.181 -2.013 -1.864 1.00 0.00 C ATOM 0 H PHE A 66 -4.036 -3.990 -3.322 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.620 -1.554 -3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.474 -3.072 -1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.881 -4.372 -2.733 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.997 -0.856 -1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.396 -4.735 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.354 -0.114 -1.424 1.00 0.00 H new ATOM 0 HE2 PHE A 66 2.745 -3.995 -2.353 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.196 -1.693 -1.680 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.695 -4.116 -5.529 1.00 0.00 N ATOM 1045 CA GLN A 67 -0.913 -4.499 -6.693 1.00 0.00 C ATOM 1046 C GLN A 67 -1.005 -3.418 -7.773 1.00 0.00 C ATOM 1047 O GLN A 67 -0.101 -3.277 -8.594 1.00 0.00 O ATOM 1048 CB GLN A 67 -1.366 -5.856 -7.236 1.00 0.00 C ATOM 1049 CG GLN A 67 -1.115 -6.966 -6.213 1.00 0.00 C ATOM 1050 CD GLN A 67 -0.597 -8.234 -6.896 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -1.096 -8.665 -7.923 1.00 0.00 O ATOM 1052 NE2 GLN A 67 0.428 -8.805 -6.271 1.00 0.00 N ATOM 0 H GLN A 67 -2.269 -4.862 -5.136 1.00 0.00 H new ATOM 0 HA GLN A 67 0.130 -4.596 -6.390 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.427 -5.817 -7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.831 -6.079 -8.159 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.391 -6.626 -5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.038 -7.188 -5.678 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.797 -8.392 -5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.845 -9.656 -6.648 1.00 0.00 H new ATOM 1061 N VAL A 68 -2.107 -2.683 -7.736 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.329 -1.620 -8.701 1.00 0.00 C ATOM 1063 C VAL A 68 -1.219 -0.575 -8.568 1.00 0.00 C ATOM 1064 O VAL A 68 -0.690 -0.095 -9.569 1.00 0.00 O ATOM 1065 CB VAL A 68 -3.729 -1.031 -8.518 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -3.928 0.198 -9.408 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.807 -2.083 -8.788 1.00 0.00 C ATOM 0 H VAL A 68 -2.855 -2.803 -7.053 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.286 -2.012 -9.717 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.824 -0.712 -7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.931 0.597 -9.258 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.192 0.959 -9.147 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.802 -0.085 -10.453 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.792 -1.638 -8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.712 -2.447 -9.811 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.685 -2.915 -8.095 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.899 -0.255 -7.322 1.00 0.00 N ATOM 1078 CA LEU A 69 0.138 0.724 -7.045 1.00 0.00 C ATOM 1079 C LEU A 69 1.505 0.118 -7.369 1.00 0.00 C ATOM 1080 O LEU A 69 2.363 0.785 -7.945 1.00 0.00 O ATOM 1081 CB LEU A 69 0.019 1.238 -5.609 1.00 0.00 C ATOM 1082 CG LEU A 69 0.958 2.384 -5.226 1.00 0.00 C ATOM 1083 CD1 LEU A 69 0.297 3.741 -5.475 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.442 2.238 -3.782 1.00 0.00 C ATOM 0 H LEU A 69 -1.339 -0.656 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 69 0.017 1.599 -7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.008 1.566 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.199 0.405 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 69 1.838 2.332 -5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.986 4.538 -5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.045 3.834 -6.531 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.611 3.819 -4.877 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.108 3.065 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.585 2.249 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.978 1.296 -3.672 1.00 0.00 H new ATOM 1096 N VAL A 70 1.665 -1.140 -6.986 1.00 0.00 N ATOM 1097 CA VAL A 70 2.913 -1.844 -7.229 1.00 0.00 C ATOM 1098 C VAL A 70 3.277 -1.730 -8.711 1.00 0.00 C ATOM 1099 O VAL A 70 4.414 -1.408 -9.052 1.00 0.00 O ATOM 1100 CB VAL A 70 2.798 -3.293 -6.751 1.00 0.00 C ATOM 1101 CG1 VAL A 70 3.712 -4.212 -7.564 1.00 0.00 C ATOM 1102 CG2 VAL A 70 3.101 -3.402 -5.255 1.00 0.00 C ATOM 0 H VAL A 70 0.951 -1.690 -6.509 1.00 0.00 H new ATOM 0 HA VAL A 70 3.724 -1.392 -6.659 1.00 0.00 H new ATOM 0 HB VAL A 70 1.770 -3.618 -6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.611 -5.236 -7.204 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.430 -4.168 -8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.747 -3.888 -7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.012 -4.442 -4.941 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.114 -3.050 -5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.392 -2.792 -4.695 1.00 0.00 H new ATOM 1112 N LYS A 71 2.290 -2.002 -9.552 1.00 0.00 N ATOM 1113 CA LYS A 71 2.492 -1.934 -10.990 1.00 0.00 C ATOM 1114 C LYS A 71 3.003 -0.541 -11.364 1.00 0.00 C ATOM 1115 O LYS A 71 3.944 -0.411 -12.145 1.00 0.00 O ATOM 1116 CB LYS A 71 1.216 -2.341 -11.730 1.00 0.00 C ATOM 1117 CG LYS A 71 1.542 -3.198 -12.955 1.00 0.00 C ATOM 1118 CD LYS A 71 0.598 -2.878 -14.115 1.00 0.00 C ATOM 1119 CE LYS A 71 1.095 -1.669 -14.910 1.00 0.00 C ATOM 1120 NZ LYS A 71 1.137 -1.981 -16.356 1.00 0.00 N ATOM 0 H LYS A 71 1.348 -2.270 -9.266 1.00 0.00 H new ATOM 0 HA LYS A 71 3.255 -2.647 -11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.562 -2.896 -11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.671 -1.449 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.573 -3.023 -13.262 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.461 -4.254 -12.696 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.519 -3.743 -14.773 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.402 -2.678 -13.730 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.439 -0.816 -14.735 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.088 -1.383 -14.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.476 -1.150 -16.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.781 -2.781 -16.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.183 -2.232 -16.685 1.00 0.00 H new ATOM 1134 N LYS A 72 2.360 0.464 -10.788 1.00 0.00 N ATOM 1135 CA LYS A 72 2.738 1.842 -11.051 1.00 0.00 C ATOM 1136 C LYS A 72 4.096 2.126 -10.406 1.00 0.00 C ATOM 1137 O LYS A 72 4.812 3.032 -10.832 1.00 0.00 O ATOM 1138 CB LYS A 72 1.631 2.797 -10.599 1.00 0.00 C ATOM 1139 CG LYS A 72 0.374 2.622 -11.453 1.00 0.00 C ATOM 1140 CD LYS A 72 0.573 3.216 -12.849 1.00 0.00 C ATOM 1141 CE LYS A 72 -0.670 3.986 -13.300 1.00 0.00 C ATOM 1142 NZ LYS A 72 -1.108 3.525 -14.637 1.00 0.00 N ATOM 0 H LYS A 72 1.580 0.352 -10.140 1.00 0.00 H new ATOM 0 HA LYS A 72 2.852 2.008 -12.122 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.392 2.613 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.983 3.826 -10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.131 1.563 -11.536 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.472 3.106 -10.965 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.436 3.882 -12.845 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.789 2.419 -13.560 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.475 3.845 -12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.453 5.054 -13.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.952 4.057 -14.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.345 3.682 -15.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.335 2.511 -14.597 1.00 0.00 H new ATOM 1156 N ILE A 73 4.410 1.336 -9.390 1.00 0.00 N ATOM 1157 CA ILE A 73 5.670 1.491 -8.683 1.00 0.00 C ATOM 1158 C ILE A 73 6.797 0.879 -9.517 1.00 0.00 C ATOM 1159 O ILE A 73 7.842 1.500 -9.706 1.00 0.00 O ATOM 1160 CB ILE A 73 5.566 0.912 -7.270 1.00 0.00 C ATOM 1161 CG1 ILE A 73 4.767 1.841 -6.354 1.00 0.00 C ATOM 1162 CG2 ILE A 73 6.952 0.600 -6.702 1.00 0.00 C ATOM 1163 CD1 ILE A 73 4.093 1.055 -5.228 1.00 0.00 C ATOM 0 H ILE A 73 3.814 0.586 -9.039 1.00 0.00 H new ATOM 0 HA ILE A 73 5.907 2.547 -8.553 1.00 0.00 H new ATOM 0 HB ILE A 73 5.021 -0.031 -7.326 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.429 2.596 -5.930 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.012 2.370 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.850 0.190 -5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.452 -0.127 -7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.543 1.515 -6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.532 1.739 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.414 0.317 -5.655 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.853 0.547 -4.633 1.00 0.00 H new ATOM 1175 N SER A 74 6.547 -0.332 -9.993 1.00 0.00 N ATOM 1176 CA SER A 74 7.528 -1.035 -10.802 1.00 0.00 C ATOM 1177 C SER A 74 7.558 -0.448 -12.215 1.00 0.00 C ATOM 1178 O SER A 74 8.613 -0.042 -12.700 1.00 0.00 O ATOM 1179 CB SER A 74 7.225 -2.534 -10.857 1.00 0.00 C ATOM 1180 OG SER A 74 8.313 -3.316 -10.372 1.00 0.00 O ATOM 0 H SER A 74 5.679 -0.844 -9.834 1.00 0.00 H new ATOM 0 HA SER A 74 8.507 -0.906 -10.340 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.334 -2.746 -10.266 1.00 0.00 H new ATOM 0 HB3 SER A 74 7.001 -2.821 -11.884 1.00 0.00 H new ATOM 0 HG SER A 74 8.080 -4.267 -10.422 1.00 0.00 H new ATOM 1186 N GLN A 75 6.388 -0.422 -12.836 1.00 0.00 N ATOM 1187 CA GLN A 75 6.267 0.108 -14.183 1.00 0.00 C ATOM 1188 C GLN A 75 6.427 1.630 -14.171 1.00 0.00 C ATOM 1189 O GLN A 75 7.515 2.141 -13.909 1.00 0.00 O ATOM 1190 CB GLN A 75 4.933 -0.298 -14.814 1.00 0.00 C ATOM 1191 CG GLN A 75 5.141 -0.852 -16.225 1.00 0.00 C ATOM 1192 CD GLN A 75 6.155 -1.998 -16.220 1.00 0.00 C ATOM 1193 OE1 GLN A 75 7.159 -1.976 -16.913 1.00 0.00 O ATOM 1194 NE2 GLN A 75 5.838 -2.998 -15.402 1.00 0.00 N ATOM 0 H GLN A 75 5.515 -0.760 -12.431 1.00 0.00 H new ATOM 0 HA GLN A 75 7.064 -0.317 -14.793 1.00 0.00 H new ATOM 0 HB2 GLN A 75 4.446 -1.049 -14.192 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.267 0.564 -14.852 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.190 -1.205 -16.625 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.489 -0.057 -16.884 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.982 -2.953 -14.849 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.451 -3.810 -15.327 1.00 0.00 H new