USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 560 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 30 HIS : no HD1:sc= -0.0181 K(o=-2.4,f=-3) USER MOD Set 1.2: A 41 MET CE :methyl -160:sc= -2.35 (180deg=-4.08!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -5.15! C(o=-5.2!,f=-2.5!) USER MOD Single : A 25 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.17) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.792 K(o=-0.79,f=-0.29) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -2.26! K(o=-2.3!,f=-1.2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 159:sc= -0.0654 (180deg=-0.371) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.02) USER MOD Single : A 67 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.11) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -1.698 -13.237 -2.713 1.00 0.00 N ATOM 67 CA PRO A 8 -1.781 -12.123 -3.663 1.00 0.00 C ATOM 68 C PRO A 8 -0.875 -10.959 -3.272 1.00 0.00 C ATOM 69 O PRO A 8 -0.512 -10.806 -2.106 1.00 0.00 O ATOM 70 CB PRO A 8 -3.251 -11.703 -3.590 1.00 0.00 C ATOM 71 CG PRO A 8 -3.701 -12.134 -2.237 1.00 0.00 C ATOM 72 CD PRO A 8 -2.933 -13.387 -1.925 1.00 0.00 C ATOM 0 HA PRO A 8 -1.456 -12.414 -4.662 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.362 -10.626 -3.720 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.839 -12.181 -4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.503 -11.360 -1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.775 -12.321 -2.224 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.721 -13.473 -0.859 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.487 -14.280 -2.213 1.00 0.00 H new ATOM 80 N LYS A 9 -0.512 -10.143 -4.256 1.00 0.00 N ATOM 81 CA LYS A 9 0.351 -8.992 -4.016 1.00 0.00 C ATOM 82 C LYS A 9 -0.475 -7.724 -3.821 1.00 0.00 C ATOM 83 O LYS A 9 -1.106 -7.233 -4.757 1.00 0.00 O ATOM 84 CB LYS A 9 1.323 -8.805 -5.182 1.00 0.00 C ATOM 85 CG LYS A 9 2.201 -7.572 -5.052 1.00 0.00 C ATOM 86 CD LYS A 9 3.452 -7.861 -4.240 1.00 0.00 C ATOM 87 CE LYS A 9 4.523 -6.805 -4.473 1.00 0.00 C ATOM 88 NZ LYS A 9 4.271 -5.575 -3.672 1.00 0.00 N ATOM 0 H LYS A 9 -0.802 -10.257 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 9 0.919 -9.179 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.959 -9.687 -5.259 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.755 -8.740 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.483 -7.219 -6.044 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.635 -6.770 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.199 -7.897 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.843 -8.843 -4.508 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.499 -7.214 -4.213 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.556 -6.549 -5.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.022 -4.880 -3.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.351 -5.170 -3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.264 -5.815 -2.660 1.00 0.00 H new ATOM 102 N ALA A 10 -0.464 -7.198 -2.600 1.00 0.00 N ATOM 103 CA ALA A 10 -1.209 -5.985 -2.284 1.00 0.00 C ATOM 104 C ALA A 10 -0.911 -4.881 -3.292 1.00 0.00 C ATOM 105 O ALA A 10 0.199 -4.353 -3.362 1.00 0.00 O ATOM 106 CB ALA A 10 -0.883 -5.518 -0.874 1.00 0.00 C ATOM 0 H ALA A 10 0.052 -7.593 -1.814 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.273 -6.215 -2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.446 -4.612 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.153 -6.297 -0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.184 -5.310 -0.797 1.00 0.00 H new ATOM 112 N PRO A 11 -1.925 -4.520 -4.092 1.00 0.00 N ATOM 113 CA PRO A 11 -1.796 -3.474 -5.111 1.00 0.00 C ATOM 114 C PRO A 11 -1.655 -2.083 -4.499 1.00 0.00 C ATOM 115 O PRO A 11 -2.381 -1.725 -3.573 1.00 0.00 O ATOM 116 CB PRO A 11 -3.104 -3.582 -5.898 1.00 0.00 C ATOM 117 CG PRO A 11 -4.075 -4.179 -4.940 1.00 0.00 C ATOM 118 CD PRO A 11 -3.276 -5.105 -4.065 1.00 0.00 C ATOM 0 HA PRO A 11 -0.903 -3.608 -5.722 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.440 -2.604 -6.244 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.984 -4.209 -6.782 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.564 -3.406 -4.347 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.861 -4.721 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.676 -5.145 -3.052 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.280 -6.125 -4.450 1.00 0.00 H new ATOM 126 N VAL A 12 -0.715 -1.303 -5.025 1.00 0.00 N ATOM 127 CA VAL A 12 -0.480 0.048 -4.531 1.00 0.00 C ATOM 128 C VAL A 12 -1.791 0.808 -4.365 1.00 0.00 C ATOM 129 O VAL A 12 -2.756 0.572 -5.094 1.00 0.00 O ATOM 130 CB VAL A 12 0.442 0.839 -5.479 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.841 0.241 -5.484 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.139 0.869 -6.884 1.00 0.00 C ATOM 0 H VAL A 12 -0.105 -1.584 -5.792 1.00 0.00 H new ATOM 0 HA VAL A 12 0.006 -0.050 -3.560 1.00 0.00 H new ATOM 0 HB VAL A 12 0.512 1.865 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.478 0.812 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.255 0.276 -4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.793 -0.795 -5.820 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.525 1.432 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.241 -0.150 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.118 1.347 -6.863 1.00 0.00 H new ATOM 142 N THR A 13 -1.820 1.723 -3.401 1.00 0.00 N ATOM 143 CA THR A 13 -3.013 2.518 -3.137 1.00 0.00 C ATOM 144 C THR A 13 -3.024 3.788 -3.982 1.00 0.00 C ATOM 145 O THR A 13 -1.976 4.361 -4.272 1.00 0.00 O ATOM 146 CB THR A 13 -3.114 2.903 -1.649 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.031 3.771 -1.294 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.089 1.665 -0.767 1.00 0.00 C ATOM 0 H THR A 13 -1.030 1.932 -2.790 1.00 0.00 H new ATOM 0 HA THR A 13 -3.871 1.900 -3.403 1.00 0.00 H new ATOM 0 HB THR A 13 -4.060 3.421 -1.493 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.103 4.013 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.162 1.962 0.279 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.931 1.021 -1.020 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.157 1.123 -0.927 1.00 0.00 H new ATOM 156 N GLY A 14 -4.219 4.222 -4.372 1.00 0.00 N ATOM 157 CA GLY A 14 -4.345 5.422 -5.179 1.00 0.00 C ATOM 158 C GLY A 14 -3.318 6.476 -4.814 1.00 0.00 C ATOM 159 O GLY A 14 -2.834 7.207 -5.679 1.00 0.00 O ATOM 0 H GLY A 14 -5.101 3.764 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.235 5.161 -6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.346 5.836 -5.055 1.00 0.00 H new ATOM 163 N TYR A 15 -2.984 6.556 -3.531 1.00 0.00 N ATOM 164 CA TYR A 15 -2.011 7.530 -3.053 1.00 0.00 C ATOM 165 C TYR A 15 -0.602 7.163 -3.509 1.00 0.00 C ATOM 166 O TYR A 15 0.135 8.002 -4.028 1.00 0.00 O ATOM 167 CB TYR A 15 -2.058 7.624 -1.528 1.00 0.00 C ATOM 168 CG TYR A 15 -0.937 8.449 -0.936 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.710 9.753 -1.360 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.106 7.926 0.046 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.313 10.511 -0.824 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.919 8.677 0.589 1.00 0.00 C ATOM 173 CZ TYR A 15 1.125 9.968 0.151 1.00 0.00 C ATOM 174 OH TYR A 15 2.144 10.720 0.689 1.00 0.00 O ATOM 0 H TYR A 15 -3.373 5.957 -2.803 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.269 8.500 -3.478 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.013 8.056 -1.228 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.018 6.618 -1.109 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.345 10.181 -2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.264 6.915 0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.476 11.522 -1.166 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.555 8.255 1.353 1.00 0.00 H new ATOM 0 HH TYR A 15 2.620 10.191 1.363 1.00 0.00 H new ATOM 184 N VAL A 16 -0.235 5.901 -3.311 1.00 0.00 N ATOM 185 CA VAL A 16 1.084 5.418 -3.703 1.00 0.00 C ATOM 186 C VAL A 16 1.228 5.382 -5.220 1.00 0.00 C ATOM 187 O VAL A 16 2.187 5.916 -5.776 1.00 0.00 O ATOM 188 CB VAL A 16 1.358 4.012 -3.137 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.709 3.500 -3.612 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.288 4.026 -1.618 1.00 0.00 C ATOM 0 H VAL A 16 -0.832 5.195 -2.882 1.00 0.00 H new ATOM 0 HA VAL A 16 1.812 6.115 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 16 0.589 3.334 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.886 2.505 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.717 3.451 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.494 4.176 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.484 3.024 -1.235 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.034 4.717 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.295 4.347 -1.302 1.00 0.00 H new ATOM 200 N ARG A 17 0.268 4.747 -5.884 1.00 0.00 N ATOM 201 CA ARG A 17 0.288 4.639 -7.339 1.00 0.00 C ATOM 202 C ARG A 17 0.751 5.947 -7.974 1.00 0.00 C ATOM 203 O ARG A 17 1.669 5.959 -8.794 1.00 0.00 O ATOM 204 CB ARG A 17 -1.101 4.269 -7.862 1.00 0.00 C ATOM 205 CG ARG A 17 -1.080 3.613 -9.234 1.00 0.00 C ATOM 206 CD ARG A 17 -2.485 3.408 -9.775 1.00 0.00 C ATOM 207 NE ARG A 17 -2.481 3.062 -11.194 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.040 1.901 -11.666 1.00 0.00 C ATOM 209 NH1 ARG A 17 -1.571 0.980 -10.836 1.00 0.00 N ATOM 210 NH2 ARG A 17 -2.068 1.661 -12.970 1.00 0.00 N ATOM 0 H ARG A 17 -0.533 4.300 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 17 0.993 3.853 -7.612 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.579 3.593 -7.153 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.714 5.169 -7.908 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.509 4.233 -9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.569 2.652 -9.171 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.979 2.617 -9.211 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.067 4.317 -9.625 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.836 3.749 -11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.548 1.162 -9.833 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.233 0.089 -11.201 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.428 2.368 -13.611 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.729 0.770 -13.332 1.00 0.00 H new ATOM 224 N PHE A 18 0.109 7.045 -7.590 1.00 0.00 N ATOM 225 CA PHE A 18 0.455 8.358 -8.123 1.00 0.00 C ATOM 226 C PHE A 18 1.896 8.722 -7.780 1.00 0.00 C ATOM 227 O PHE A 18 2.597 9.350 -8.576 1.00 0.00 O ATOM 228 CB PHE A 18 -0.497 9.422 -7.572 1.00 0.00 C ATOM 229 CG PHE A 18 0.104 10.798 -7.523 1.00 0.00 C ATOM 230 CD1 PHE A 18 0.886 11.188 -6.448 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.112 11.699 -8.552 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.442 12.453 -6.400 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.442 12.965 -8.510 1.00 0.00 C ATOM 234 CZ PHE A 18 1.218 13.343 -7.433 1.00 0.00 C ATOM 0 H PHE A 18 -0.653 7.052 -6.912 1.00 0.00 H new ATOM 0 HA PHE A 18 0.357 8.319 -9.208 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.395 9.449 -8.189 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.808 9.134 -6.568 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.063 10.496 -5.638 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.720 11.410 -9.397 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.050 12.745 -5.557 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.268 13.658 -9.320 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.649 14.333 -7.398 1.00 0.00 H new ATOM 244 N LEU A 19 2.333 8.326 -6.590 1.00 0.00 N ATOM 245 CA LEU A 19 3.691 8.611 -6.140 1.00 0.00 C ATOM 246 C LEU A 19 4.713 7.849 -6.977 1.00 0.00 C ATOM 247 O LEU A 19 5.745 8.396 -7.365 1.00 0.00 O ATOM 248 CB LEU A 19 3.848 8.243 -4.663 1.00 0.00 C ATOM 249 CG LEU A 19 3.100 9.131 -3.667 1.00 0.00 C ATOM 250 CD1 LEU A 19 3.129 8.514 -2.277 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.701 10.529 -3.645 1.00 0.00 C ATOM 0 H LEU A 19 1.767 7.807 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 19 3.872 9.679 -6.263 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.511 7.215 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.909 8.266 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 19 2.061 9.209 -3.986 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.592 9.159 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.653 7.534 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.163 8.406 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.157 11.148 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.749 10.470 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.628 10.972 -4.638 1.00 0.00 H new ATOM 263 N ASN A 20 4.418 6.582 -7.251 1.00 0.00 N ATOM 264 CA ASN A 20 5.312 5.745 -8.044 1.00 0.00 C ATOM 265 C ASN A 20 5.433 6.276 -9.469 1.00 0.00 C ATOM 266 O ASN A 20 6.536 6.499 -9.967 1.00 0.00 O ATOM 267 CB ASN A 20 4.804 4.302 -8.068 1.00 0.00 C ATOM 268 CG ASN A 20 5.263 3.508 -6.859 1.00 0.00 C ATOM 269 OD1 ASN A 20 6.337 2.907 -6.868 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.447 3.501 -5.811 1.00 0.00 N ATOM 0 H ASN A 20 3.569 6.113 -6.936 1.00 0.00 H new ATOM 0 HA ASN A 20 6.298 5.769 -7.581 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.715 4.304 -8.106 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.154 3.811 -8.976 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.702 2.983 -4.970 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.566 4.014 -5.847 1.00 0.00 H new ATOM 277 N GLU A 21 4.292 6.476 -10.120 1.00 0.00 N ATOM 278 CA GLU A 21 4.271 6.981 -11.488 1.00 0.00 C ATOM 279 C GLU A 21 5.023 8.304 -11.590 1.00 0.00 C ATOM 280 O GLU A 21 5.893 8.471 -12.446 1.00 0.00 O ATOM 281 CB GLU A 21 2.829 7.162 -11.967 1.00 0.00 C ATOM 282 CG GLU A 21 2.704 7.336 -13.471 1.00 0.00 C ATOM 283 CD GLU A 21 1.263 7.318 -13.943 1.00 0.00 C ATOM 284 OE1 GLU A 21 0.379 7.727 -13.160 1.00 0.00 O ATOM 285 OE2 GLU A 21 1.019 6.896 -15.093 1.00 0.00 O ATOM 0 H GLU A 21 3.370 6.296 -9.723 1.00 0.00 H new ATOM 0 HA GLU A 21 4.768 6.250 -12.126 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.242 6.296 -11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.397 8.032 -11.472 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.166 8.279 -13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.256 6.541 -13.972 1.00 0.00 H new ATOM 292 N ARG A 22 4.680 9.242 -10.714 1.00 0.00 N ATOM 293 CA ARG A 22 5.322 10.552 -10.706 1.00 0.00 C ATOM 294 C ARG A 22 6.802 10.430 -10.362 1.00 0.00 C ATOM 295 O ARG A 22 7.652 11.057 -10.996 1.00 0.00 O ATOM 296 CB ARG A 22 4.627 11.477 -9.705 1.00 0.00 C ATOM 297 CG ARG A 22 3.270 11.973 -10.174 1.00 0.00 C ATOM 298 CD ARG A 22 3.407 13.130 -11.151 1.00 0.00 C ATOM 299 NE ARG A 22 3.622 12.668 -12.521 1.00 0.00 N ATOM 300 CZ ARG A 22 3.727 13.483 -13.563 1.00 0.00 C ATOM 301 NH1 ARG A 22 3.636 14.796 -13.395 1.00 0.00 N ATOM 302 NH2 ARG A 22 3.922 12.987 -14.778 1.00 0.00 N ATOM 0 H ARG A 22 3.961 9.120 -10.000 1.00 0.00 H new ATOM 0 HA ARG A 22 5.235 10.979 -11.705 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.504 10.948 -8.760 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.270 12.335 -9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.727 11.156 -10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.680 12.290 -9.314 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.508 13.745 -11.113 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.240 13.764 -10.847 1.00 0.00 H new ATOM 0 HE ARG A 22 3.695 11.664 -12.685 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.485 15.182 -12.463 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.717 15.420 -14.198 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.991 11.978 -14.912 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.003 13.614 -15.578 1.00 0.00 H new ATOM 316 N ARG A 23 7.105 9.621 -9.351 1.00 0.00 N ATOM 317 CA ARG A 23 8.483 9.419 -8.920 1.00 0.00 C ATOM 318 C ARG A 23 9.433 9.434 -10.115 1.00 0.00 C ATOM 319 O ARG A 23 10.402 10.193 -10.138 1.00 0.00 O ATOM 320 CB ARG A 23 8.615 8.094 -8.167 1.00 0.00 C ATOM 321 CG ARG A 23 10.050 7.731 -7.819 1.00 0.00 C ATOM 322 CD ARG A 23 10.701 6.911 -8.922 1.00 0.00 C ATOM 323 NE ARG A 23 9.889 5.756 -9.296 1.00 0.00 N ATOM 324 CZ ARG A 23 9.859 4.623 -8.602 1.00 0.00 C ATOM 325 NH1 ARG A 23 10.590 4.496 -7.504 1.00 0.00 N ATOM 326 NH2 ARG A 23 9.096 3.616 -9.006 1.00 0.00 N ATOM 0 H ARG A 23 6.414 9.095 -8.815 1.00 0.00 H new ATOM 0 HA ARG A 23 8.753 10.237 -8.252 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.030 8.148 -7.249 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.184 7.297 -8.773 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.626 8.641 -7.652 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.068 7.167 -6.886 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.860 7.541 -9.797 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.683 6.572 -8.591 1.00 0.00 H new ATOM 0 HE ARG A 23 9.314 5.823 -10.136 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.177 5.269 -7.190 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.565 3.626 -6.973 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.531 3.711 -9.850 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.074 2.747 -8.472 1.00 0.00 H new ATOM 340 N GLU A 24 9.149 8.590 -11.101 1.00 0.00 N ATOM 341 CA GLU A 24 9.981 8.507 -12.297 1.00 0.00 C ATOM 342 C GLU A 24 10.315 9.899 -12.825 1.00 0.00 C ATOM 343 O GLU A 24 11.482 10.236 -13.019 1.00 0.00 O ATOM 344 CB GLU A 24 9.272 7.694 -13.382 1.00 0.00 C ATOM 345 CG GLU A 24 9.939 7.785 -14.744 1.00 0.00 C ATOM 346 CD GLU A 24 9.151 7.075 -15.828 1.00 0.00 C ATOM 347 OE1 GLU A 24 8.872 5.868 -15.665 1.00 0.00 O ATOM 348 OE2 GLU A 24 8.813 7.725 -16.839 1.00 0.00 O ATOM 0 H GLU A 24 8.351 7.955 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 24 10.911 8.007 -12.028 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.234 6.649 -13.075 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.242 8.039 -13.468 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.060 8.834 -15.016 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.938 7.354 -14.685 1.00 0.00 H new ATOM 355 N GLN A 25 9.281 10.701 -13.058 1.00 0.00 N ATOM 356 CA GLN A 25 9.464 12.055 -13.565 1.00 0.00 C ATOM 357 C GLN A 25 10.548 12.789 -12.781 1.00 0.00 C ATOM 358 O GLN A 25 11.379 13.489 -13.360 1.00 0.00 O ATOM 359 CB GLN A 25 8.149 12.833 -13.489 1.00 0.00 C ATOM 360 CG GLN A 25 7.043 12.242 -14.347 1.00 0.00 C ATOM 361 CD GLN A 25 7.403 12.201 -15.819 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.590 11.129 -16.395 1.00 0.00 O ATOM 363 NE2 GLN A 25 7.505 13.372 -16.437 1.00 0.00 N ATOM 0 H GLN A 25 8.308 10.436 -12.904 1.00 0.00 H new ATOM 0 HA GLN A 25 9.778 11.986 -14.606 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.815 12.865 -12.452 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.327 13.863 -13.799 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.822 11.232 -14.003 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.134 12.829 -14.216 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.342 14.237 -15.921 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.747 13.407 -17.427 1.00 0.00 H new ATOM 372 N ILE A 26 10.532 12.623 -11.463 1.00 0.00 N ATOM 373 CA ILE A 26 11.515 13.268 -10.601 1.00 0.00 C ATOM 374 C ILE A 26 12.912 12.705 -10.842 1.00 0.00 C ATOM 375 O ILE A 26 13.852 13.449 -11.124 1.00 0.00 O ATOM 376 CB ILE A 26 11.155 13.099 -9.113 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.710 13.535 -8.863 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.113 13.899 -8.243 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.447 14.983 -9.209 1.00 0.00 C ATOM 0 H ILE A 26 9.850 12.048 -10.969 1.00 0.00 H new ATOM 0 HA ILE A 26 11.506 14.329 -10.851 1.00 0.00 H new ATOM 0 HB ILE A 26 11.248 12.046 -8.849 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.042 12.903 -9.448 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.466 13.371 -7.813 1.00 0.00 H new ATOM 0 HG21 ILE A 26 11.846 13.770 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.132 13.546 -8.404 1.00 0.00 H new ATOM 0 HG23 ILE A 26 12.048 14.955 -8.506 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.403 15.222 -9.007 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.089 15.624 -8.605 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.659 15.149 -10.265 1.00 0.00 H new ATOM 391 N ARG A 27 13.040 11.387 -10.730 1.00 0.00 N ATOM 392 CA ARG A 27 14.322 10.723 -10.936 1.00 0.00 C ATOM 393 C ARG A 27 15.049 11.310 -12.143 1.00 0.00 C ATOM 394 O ARG A 27 16.275 11.425 -12.148 1.00 0.00 O ATOM 395 CB ARG A 27 14.117 9.220 -11.132 1.00 0.00 C ATOM 396 CG ARG A 27 13.906 8.461 -9.832 1.00 0.00 C ATOM 397 CD ARG A 27 15.223 8.207 -9.115 1.00 0.00 C ATOM 398 NE ARG A 27 15.112 7.137 -8.128 1.00 0.00 N ATOM 399 CZ ARG A 27 15.231 5.848 -8.425 1.00 0.00 C ATOM 400 NH1 ARG A 27 15.467 5.471 -9.674 1.00 0.00 N ATOM 401 NH2 ARG A 27 15.118 4.932 -7.471 1.00 0.00 N ATOM 0 H ARG A 27 12.272 10.758 -10.498 1.00 0.00 H new ATOM 0 HA ARG A 27 14.934 10.886 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.255 9.061 -11.780 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.984 8.807 -11.647 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.240 9.029 -9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.414 7.511 -10.040 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.989 7.948 -9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.549 9.123 -8.622 1.00 0.00 H new ATOM 0 HE ARG A 27 14.933 7.393 -7.157 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.558 6.172 -10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.558 4.480 -9.899 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.940 5.218 -6.508 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.210 3.942 -7.701 1.00 0.00 H new ATOM 415 N THR A 28 14.285 11.678 -13.167 1.00 0.00 N ATOM 416 CA THR A 28 14.856 12.249 -14.380 1.00 0.00 C ATOM 417 C THR A 28 15.459 13.622 -14.108 1.00 0.00 C ATOM 418 O THR A 28 16.495 13.979 -14.673 1.00 0.00 O ATOM 419 CB THR A 28 13.798 12.377 -15.493 1.00 0.00 C ATOM 420 OG1 THR A 28 13.283 11.084 -15.830 1.00 0.00 O ATOM 421 CG2 THR A 28 14.392 13.031 -16.731 1.00 0.00 C ATOM 0 H THR A 28 13.269 11.591 -13.180 1.00 0.00 H new ATOM 0 HA THR A 28 15.640 11.569 -14.712 1.00 0.00 H new ATOM 0 HB THR A 28 12.987 13.005 -15.124 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.610 11.174 -16.537 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.627 13.111 -17.503 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.757 14.026 -16.477 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.219 12.425 -17.101 1.00 0.00 H new ATOM 429 N ARG A 29 14.808 14.390 -13.241 1.00 0.00 N ATOM 430 CA ARG A 29 15.282 15.725 -12.896 1.00 0.00 C ATOM 431 C ARG A 29 16.394 15.654 -11.853 1.00 0.00 C ATOM 432 O ARG A 29 17.490 16.176 -12.062 1.00 0.00 O ATOM 433 CB ARG A 29 14.127 16.578 -12.368 1.00 0.00 C ATOM 434 CG ARG A 29 13.300 17.229 -13.464 1.00 0.00 C ATOM 435 CD ARG A 29 11.861 17.445 -13.022 1.00 0.00 C ATOM 436 NE ARG A 29 11.701 18.682 -12.262 1.00 0.00 N ATOM 437 CZ ARG A 29 11.864 19.891 -12.785 1.00 0.00 C ATOM 438 NH1 ARG A 29 12.190 20.027 -14.064 1.00 0.00 N ATOM 439 NH2 ARG A 29 11.702 20.970 -12.030 1.00 0.00 N ATOM 0 H ARG A 29 13.951 14.111 -12.764 1.00 0.00 H new ATOM 0 HA ARG A 29 15.683 16.186 -13.799 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.476 15.954 -11.756 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.528 17.355 -11.717 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.745 18.186 -13.738 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.318 16.602 -14.356 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.213 17.472 -13.898 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.539 16.601 -12.412 1.00 0.00 H new ATOM 0 HE ARG A 29 11.450 18.613 -11.276 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.316 19.201 -14.649 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.314 20.958 -14.462 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.452 20.871 -11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.828 21.898 -12.433 1.00 0.00 H new ATOM 453 N HIS A 30 16.105 15.006 -10.729 1.00 0.00 N ATOM 454 CA HIS A 30 17.080 14.867 -9.653 1.00 0.00 C ATOM 455 C HIS A 30 17.363 13.397 -9.363 1.00 0.00 C ATOM 456 O HIS A 30 16.825 12.811 -8.422 1.00 0.00 O ATOM 457 CB HIS A 30 16.578 15.562 -8.388 1.00 0.00 C ATOM 458 CG HIS A 30 15.830 16.831 -8.658 1.00 0.00 C ATOM 459 ND1 HIS A 30 16.445 18.063 -8.747 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.511 17.055 -8.862 1.00 0.00 C ATOM 461 CE1 HIS A 30 15.535 18.989 -8.992 1.00 0.00 C ATOM 462 NE2 HIS A 30 14.354 18.404 -9.066 1.00 0.00 N ATOM 0 H HIS A 30 15.203 14.569 -10.540 1.00 0.00 H new ATOM 0 HA HIS A 30 18.008 15.340 -9.974 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.930 14.878 -7.840 1.00 0.00 H new ATOM 0 HB3 HIS A 30 17.428 15.782 -7.742 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.728 16.311 -8.864 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.725 20.045 -9.111 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.468 18.877 -9.246 1.00 0.00 H new ATOM 471 N PRO A 31 18.225 12.784 -10.188 1.00 0.00 N ATOM 472 CA PRO A 31 18.597 11.374 -10.039 1.00 0.00 C ATOM 473 C PRO A 31 19.455 11.128 -8.802 1.00 0.00 C ATOM 474 O PRO A 31 19.846 9.995 -8.522 1.00 0.00 O ATOM 475 CB PRO A 31 19.397 11.082 -11.311 1.00 0.00 C ATOM 476 CG PRO A 31 19.937 12.406 -11.730 1.00 0.00 C ATOM 477 CD PRO A 31 18.902 13.421 -11.329 1.00 0.00 C ATOM 0 HA PRO A 31 17.724 10.734 -9.911 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.199 10.370 -11.119 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.765 10.649 -12.086 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.892 12.609 -11.245 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.114 12.433 -12.805 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.358 14.370 -11.047 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.208 13.630 -12.143 1.00 0.00 H new ATOM 485 N ASP A 32 19.743 12.196 -8.067 1.00 0.00 N ATOM 486 CA ASP A 32 20.553 12.096 -6.859 1.00 0.00 C ATOM 487 C ASP A 32 19.675 12.121 -5.612 1.00 0.00 C ATOM 488 O ASP A 32 20.117 11.762 -4.520 1.00 0.00 O ATOM 489 CB ASP A 32 21.570 13.237 -6.804 1.00 0.00 C ATOM 490 CG ASP A 32 22.280 13.317 -5.467 1.00 0.00 C ATOM 491 OD1 ASP A 32 22.727 12.263 -4.970 1.00 0.00 O ATOM 492 OD2 ASP A 32 22.389 14.433 -4.918 1.00 0.00 O ATOM 0 H ASP A 32 19.428 13.141 -8.286 1.00 0.00 H new ATOM 0 HA ASP A 32 21.086 11.146 -6.887 1.00 0.00 H new ATOM 0 HB2 ASP A 32 22.307 13.101 -7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 32 21.063 14.182 -6.999 1.00 0.00 H new ATOM 497 N LEU A 33 18.429 12.548 -5.781 1.00 0.00 N ATOM 498 CA LEU A 33 17.487 12.621 -4.669 1.00 0.00 C ATOM 499 C LEU A 33 17.089 11.225 -4.199 1.00 0.00 C ATOM 500 O LEU A 33 16.521 10.430 -4.948 1.00 0.00 O ATOM 501 CB LEU A 33 16.241 13.408 -5.080 1.00 0.00 C ATOM 502 CG LEU A 33 16.364 14.931 -5.035 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.988 15.578 -5.067 1.00 0.00 C ATOM 504 CD2 LEU A 33 17.133 15.368 -3.796 1.00 0.00 C ATOM 0 H LEU A 33 18.047 12.849 -6.677 1.00 0.00 H new ATOM 0 HA LEU A 33 17.978 13.136 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 15.969 13.115 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.417 13.111 -4.431 1.00 0.00 H new ATOM 0 HG LEU A 33 16.917 15.258 -5.915 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.095 16.662 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.473 15.292 -5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.409 15.244 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.211 16.455 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.607 15.029 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.132 14.933 -3.816 1.00 0.00 H new ATOM 516 N PRO A 34 17.392 10.919 -2.928 1.00 0.00 N ATOM 517 CA PRO A 34 17.072 9.620 -2.330 1.00 0.00 C ATOM 518 C PRO A 34 15.573 9.430 -2.122 1.00 0.00 C ATOM 519 O PRO A 34 14.804 10.391 -2.161 1.00 0.00 O ATOM 520 CB PRO A 34 17.797 9.663 -0.982 1.00 0.00 C ATOM 521 CG PRO A 34 17.913 11.112 -0.660 1.00 0.00 C ATOM 522 CD PRO A 34 18.068 11.819 -1.979 1.00 0.00 C ATOM 0 HA PRO A 34 17.377 8.791 -2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.236 9.131 -0.214 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.778 9.192 -1.045 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.029 11.466 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.770 11.301 -0.013 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.606 12.806 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.117 11.962 -2.238 1.00 0.00 H new ATOM 530 N PHE A 35 15.165 8.185 -1.901 1.00 0.00 N ATOM 531 CA PHE A 35 13.757 7.869 -1.688 1.00 0.00 C ATOM 532 C PHE A 35 13.100 8.903 -0.778 1.00 0.00 C ATOM 533 O PHE A 35 12.121 9.556 -1.142 1.00 0.00 O ATOM 534 CB PHE A 35 13.611 6.473 -1.080 1.00 0.00 C ATOM 535 CG PHE A 35 12.430 6.337 -0.164 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.226 6.954 -0.468 1.00 0.00 C ATOM 537 CD2 PHE A 35 12.521 5.593 1.001 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.137 6.831 0.373 1.00 0.00 C ATOM 539 CE2 PHE A 35 11.435 5.466 1.846 1.00 0.00 C ATOM 540 CZ PHE A 35 10.241 6.086 1.531 1.00 0.00 C ATOM 0 H PHE A 35 15.789 7.379 -1.865 1.00 0.00 H new ATOM 0 HA PHE A 35 13.256 7.890 -2.656 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.522 5.743 -1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.519 6.230 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.139 7.537 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.452 5.106 1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.205 7.317 0.125 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.519 4.883 2.751 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.391 5.988 2.189 1.00 0.00 H new ATOM 550 N PRO A 36 13.648 9.055 0.437 1.00 0.00 N ATOM 551 CA PRO A 36 13.132 10.007 1.425 1.00 0.00 C ATOM 552 C PRO A 36 13.384 11.456 1.021 1.00 0.00 C ATOM 553 O PRO A 36 13.348 12.357 1.857 1.00 0.00 O ATOM 554 CB PRO A 36 13.916 9.662 2.694 1.00 0.00 C ATOM 555 CG PRO A 36 15.178 9.040 2.202 1.00 0.00 C ATOM 556 CD PRO A 36 14.815 8.311 0.938 1.00 0.00 C ATOM 0 HA PRO A 36 12.051 9.928 1.541 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.119 10.553 3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.358 8.975 3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.938 9.798 2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.590 8.355 2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.635 8.319 0.220 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.572 7.266 1.132 1.00 0.00 H new ATOM 564 N GLU A 37 13.640 11.671 -0.265 1.00 0.00 N ATOM 565 CA GLU A 37 13.899 13.011 -0.779 1.00 0.00 C ATOM 566 C GLU A 37 13.049 13.295 -2.014 1.00 0.00 C ATOM 567 O GLU A 37 12.803 14.451 -2.359 1.00 0.00 O ATOM 568 CB GLU A 37 15.382 13.174 -1.118 1.00 0.00 C ATOM 569 CG GLU A 37 16.219 13.691 0.039 1.00 0.00 C ATOM 570 CD GLU A 37 16.135 15.197 0.193 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.120 15.683 0.734 1.00 0.00 O ATOM 572 OE2 GLU A 37 17.085 15.890 -0.229 1.00 0.00 O ATOM 0 H GLU A 37 13.674 10.935 -0.970 1.00 0.00 H new ATOM 0 HA GLU A 37 13.630 13.727 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.780 12.212 -1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.480 13.859 -1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.888 13.216 0.963 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.259 13.403 -0.113 1.00 0.00 H new ATOM 579 N ILE A 38 12.603 12.231 -2.675 1.00 0.00 N ATOM 580 CA ILE A 38 11.780 12.365 -3.870 1.00 0.00 C ATOM 581 C ILE A 38 10.296 12.350 -3.521 1.00 0.00 C ATOM 582 O ILE A 38 9.498 13.071 -4.123 1.00 0.00 O ATOM 583 CB ILE A 38 12.069 11.239 -4.882 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.535 11.278 -5.316 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.150 11.361 -6.087 1.00 0.00 C ATOM 586 CD1 ILE A 38 13.955 10.080 -6.139 1.00 0.00 C ATOM 0 H ILE A 38 12.798 11.268 -2.403 1.00 0.00 H new ATOM 0 HA ILE A 38 12.035 13.324 -4.322 1.00 0.00 H new ATOM 0 HB ILE A 38 11.878 10.280 -4.401 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.710 12.185 -5.895 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.166 11.339 -4.429 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.367 10.559 -6.792 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.112 11.288 -5.762 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.312 12.324 -6.572 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.006 10.176 -6.411 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.813 9.170 -5.556 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.349 10.030 -7.044 1.00 0.00 H new ATOM 598 N THR A 39 9.931 11.527 -2.544 1.00 0.00 N ATOM 599 CA THR A 39 8.544 11.419 -2.113 1.00 0.00 C ATOM 600 C THR A 39 8.084 12.694 -1.413 1.00 0.00 C ATOM 601 O THR A 39 6.983 13.187 -1.658 1.00 0.00 O ATOM 602 CB THR A 39 8.342 10.224 -1.162 1.00 0.00 C ATOM 603 OG1 THR A 39 8.316 9.003 -1.909 1.00 0.00 O ATOM 604 CG2 THR A 39 7.048 10.371 -0.375 1.00 0.00 C ATOM 0 H THR A 39 10.578 10.925 -2.036 1.00 0.00 H new ATOM 0 HA THR A 39 7.946 11.265 -3.011 1.00 0.00 H new ATOM 0 HB THR A 39 9.175 10.202 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.032 8.269 -1.326 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.927 9.515 0.290 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.083 11.287 0.215 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.206 10.416 -1.065 1.00 0.00 H new ATOM 612 N LYS A 40 8.936 13.224 -0.541 1.00 0.00 N ATOM 613 CA LYS A 40 8.619 14.443 0.193 1.00 0.00 C ATOM 614 C LYS A 40 8.207 15.560 -0.759 1.00 0.00 C ATOM 615 O LYS A 40 7.417 16.433 -0.401 1.00 0.00 O ATOM 616 CB LYS A 40 9.823 14.887 1.027 1.00 0.00 C ATOM 617 CG LYS A 40 10.899 15.588 0.217 1.00 0.00 C ATOM 618 CD LYS A 40 11.874 16.333 1.111 1.00 0.00 C ATOM 619 CE LYS A 40 12.555 17.472 0.366 1.00 0.00 C ATOM 620 NZ LYS A 40 11.766 18.734 0.440 1.00 0.00 N ATOM 0 H LYS A 40 9.851 12.828 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 40 7.782 14.230 0.858 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.481 15.556 1.816 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.258 14.015 1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.440 14.855 -0.382 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.435 16.287 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.345 16.729 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.627 15.640 1.486 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.547 17.639 0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.694 17.191 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.263 19.485 -0.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.828 18.583 0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.655 19.016 1.435 1.00 0.00 H new ATOM 634 N MET A 41 8.745 15.526 -1.973 1.00 0.00 N ATOM 635 CA MET A 41 8.429 16.535 -2.979 1.00 0.00 C ATOM 636 C MET A 41 7.069 16.264 -3.612 1.00 0.00 C ATOM 637 O MET A 41 6.254 17.174 -3.770 1.00 0.00 O ATOM 638 CB MET A 41 9.513 16.566 -4.059 1.00 0.00 C ATOM 639 CG MET A 41 10.777 17.293 -3.632 1.00 0.00 C ATOM 640 SD MET A 41 11.724 17.920 -5.032 1.00 0.00 S ATOM 641 CE MET A 41 12.125 16.394 -5.879 1.00 0.00 C ATOM 0 H MET A 41 9.402 14.811 -2.285 1.00 0.00 H new ATOM 0 HA MET A 41 8.392 17.506 -2.485 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.768 15.543 -4.335 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.111 17.046 -4.951 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.511 18.123 -2.978 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.402 16.616 -3.050 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.977 16.557 -6.539 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.375 15.626 -5.147 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.267 16.068 -6.468 1.00 0.00 H new ATOM 651 N LEU A 42 6.830 15.009 -3.976 1.00 0.00 N ATOM 652 CA LEU A 42 5.568 14.618 -4.593 1.00 0.00 C ATOM 653 C LEU A 42 4.403 14.823 -3.630 1.00 0.00 C ATOM 654 O LEU A 42 3.369 15.379 -3.999 1.00 0.00 O ATOM 655 CB LEU A 42 5.626 13.156 -5.037 1.00 0.00 C ATOM 656 CG LEU A 42 6.794 12.776 -5.949 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.879 11.266 -6.107 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.650 13.450 -7.307 1.00 0.00 C ATOM 0 H LEU A 42 7.494 14.245 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 42 5.408 15.251 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.667 12.528 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.696 12.917 -5.553 1.00 0.00 H new ATOM 0 HG LEU A 42 7.719 13.124 -5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.716 11.015 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.029 10.806 -5.130 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.953 10.893 -6.545 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.489 13.169 -7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.718 13.132 -7.774 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.640 14.532 -7.177 1.00 0.00 H new ATOM 670 N GLY A 43 4.580 14.372 -2.391 1.00 0.00 N ATOM 671 CA GLY A 43 3.536 14.518 -1.393 1.00 0.00 C ATOM 672 C GLY A 43 2.881 15.884 -1.434 1.00 0.00 C ATOM 673 O GLY A 43 1.655 15.991 -1.432 1.00 0.00 O ATOM 0 H GLY A 43 5.427 13.909 -2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.778 13.750 -1.550 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.959 14.351 -0.402 1.00 0.00 H new ATOM 677 N ALA A 44 3.699 16.930 -1.471 1.00 0.00 N ATOM 678 CA ALA A 44 3.191 18.295 -1.513 1.00 0.00 C ATOM 679 C ALA A 44 2.238 18.491 -2.689 1.00 0.00 C ATOM 680 O ALA A 44 1.280 19.258 -2.600 1.00 0.00 O ATOM 681 CB ALA A 44 4.344 19.285 -1.596 1.00 0.00 C ATOM 0 H ALA A 44 4.716 16.858 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 44 2.635 18.477 -0.594 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.950 20.301 -1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.985 19.171 -0.722 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.924 19.093 -2.499 1.00 0.00 H new ATOM 687 N GLU A 45 2.509 17.793 -3.786 1.00 0.00 N ATOM 688 CA GLU A 45 1.675 17.891 -4.979 1.00 0.00 C ATOM 689 C GLU A 45 0.334 17.195 -4.765 1.00 0.00 C ATOM 690 O GLU A 45 -0.708 17.690 -5.191 1.00 0.00 O ATOM 691 CB GLU A 45 2.395 17.279 -6.182 1.00 0.00 C ATOM 692 CG GLU A 45 3.808 17.801 -6.377 1.00 0.00 C ATOM 693 CD GLU A 45 3.855 19.060 -7.220 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.257 19.062 -8.316 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.490 20.043 -6.784 1.00 0.00 O ATOM 0 H GLU A 45 3.299 17.154 -3.874 1.00 0.00 H new ATOM 0 HA GLU A 45 1.488 18.947 -5.175 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.430 16.196 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.815 17.480 -7.083 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.254 18.004 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.414 17.029 -6.850 1.00 0.00 H new ATOM 702 N TRP A 46 0.372 16.044 -4.103 1.00 0.00 N ATOM 703 CA TRP A 46 -0.840 15.279 -3.832 1.00 0.00 C ATOM 704 C TRP A 46 -1.886 16.142 -3.136 1.00 0.00 C ATOM 705 O TRP A 46 -3.082 16.022 -3.402 1.00 0.00 O ATOM 706 CB TRP A 46 -0.514 14.057 -2.972 1.00 0.00 C ATOM 707 CG TRP A 46 -1.732 13.366 -2.437 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.199 13.403 -1.154 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.635 12.532 -3.171 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.338 12.643 -1.046 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.628 12.099 -2.270 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.704 12.112 -4.502 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.673 11.265 -2.658 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.742 11.284 -4.886 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.716 10.868 -3.968 1.00 0.00 C ATOM 0 H TRP A 46 1.228 15.620 -3.744 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.249 14.945 -4.785 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.066 13.349 -3.564 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.116 14.366 -2.138 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.740 13.950 -0.343 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.880 12.506 -0.193 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.960 12.429 -5.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.423 10.943 -1.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.804 10.952 -5.912 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.515 10.222 -4.300 1.00 0.00 H new ATOM 726 N SER A 47 -1.428 17.014 -2.243 1.00 0.00 N ATOM 727 CA SER A 47 -2.325 17.897 -1.506 1.00 0.00 C ATOM 728 C SER A 47 -2.822 19.032 -2.396 1.00 0.00 C ATOM 729 O SER A 47 -3.906 19.575 -2.182 1.00 0.00 O ATOM 730 CB SER A 47 -1.617 18.469 -0.277 1.00 0.00 C ATOM 731 OG SER A 47 -2.400 19.474 0.341 1.00 0.00 O ATOM 0 H SER A 47 -0.441 17.128 -2.012 1.00 0.00 H new ATOM 0 HA SER A 47 -3.185 17.311 -1.180 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.417 17.669 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.652 18.884 -0.569 1.00 0.00 H new ATOM 0 HG SER A 47 -1.926 19.822 1.125 1.00 0.00 H new ATOM 737 N LYS A 48 -2.021 19.387 -3.393 1.00 0.00 N ATOM 738 CA LYS A 48 -2.376 20.457 -4.318 1.00 0.00 C ATOM 739 C LYS A 48 -2.987 19.891 -5.596 1.00 0.00 C ATOM 740 O LYS A 48 -3.151 20.605 -6.587 1.00 0.00 O ATOM 741 CB LYS A 48 -1.143 21.298 -4.658 1.00 0.00 C ATOM 742 CG LYS A 48 -0.515 21.972 -3.450 1.00 0.00 C ATOM 743 CD LYS A 48 0.359 23.146 -3.859 1.00 0.00 C ATOM 744 CE LYS A 48 1.679 22.678 -4.451 1.00 0.00 C ATOM 745 NZ LYS A 48 2.706 22.441 -3.399 1.00 0.00 N ATOM 0 H LYS A 48 -1.120 18.949 -3.582 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.117 21.092 -3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.399 20.660 -5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.423 22.061 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.299 22.318 -2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.083 21.247 -2.897 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.171 23.759 -4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.551 23.777 -2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.518 21.759 -5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.046 23.425 -5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.591 22.123 -3.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.878 23.324 -2.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.367 21.710 -2.741 1.00 0.00 H new ATOM 759 N LEU A 49 -3.322 18.606 -5.567 1.00 0.00 N ATOM 760 CA LEU A 49 -3.916 17.945 -6.725 1.00 0.00 C ATOM 761 C LEU A 49 -5.344 18.430 -6.954 1.00 0.00 C ATOM 762 O LEU A 49 -6.020 18.861 -6.021 1.00 0.00 O ATOM 763 CB LEU A 49 -3.906 16.427 -6.530 1.00 0.00 C ATOM 764 CG LEU A 49 -2.685 15.689 -7.081 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.821 14.192 -6.856 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.502 15.994 -8.561 1.00 0.00 C ATOM 0 H LEU A 49 -3.193 18.001 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.321 18.197 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.982 16.217 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.798 16.014 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.801 16.037 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.943 13.683 -7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.904 13.991 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.714 13.827 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.629 15.461 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.387 15.674 -9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.359 17.066 -8.697 1.00 0.00 H new ATOM 778 N GLN A 50 -5.796 18.352 -8.202 1.00 0.00 N ATOM 779 CA GLN A 50 -7.145 18.782 -8.554 1.00 0.00 C ATOM 780 C GLN A 50 -8.188 17.858 -7.936 1.00 0.00 C ATOM 781 O GLN A 50 -7.927 16.691 -7.648 1.00 0.00 O ATOM 782 CB GLN A 50 -7.312 18.816 -10.073 1.00 0.00 C ATOM 783 CG GLN A 50 -6.457 19.871 -10.757 1.00 0.00 C ATOM 784 CD GLN A 50 -5.093 19.347 -11.157 1.00 0.00 C ATOM 785 OE1 GLN A 50 -4.075 19.723 -10.574 1.00 0.00 O ATOM 786 NE2 GLN A 50 -5.062 18.474 -12.156 1.00 0.00 N ATOM 0 H GLN A 50 -5.249 17.996 -8.985 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.295 19.786 -8.157 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.060 17.837 -10.480 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.360 19.000 -10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.976 20.235 -11.643 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.333 20.722 -10.088 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.929 18.189 -12.612 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -4.171 18.088 -12.468 1.00 0.00 H new ATOM 795 N PRO A 51 -9.401 18.392 -7.725 1.00 0.00 N ATOM 796 CA PRO A 51 -10.509 17.633 -7.139 1.00 0.00 C ATOM 797 C PRO A 51 -11.038 16.557 -8.081 1.00 0.00 C ATOM 798 O PRO A 51 -12.010 15.868 -7.770 1.00 0.00 O ATOM 799 CB PRO A 51 -11.578 18.699 -6.891 1.00 0.00 C ATOM 800 CG PRO A 51 -11.278 19.774 -7.879 1.00 0.00 C ATOM 801 CD PRO A 51 -9.783 19.778 -8.043 1.00 0.00 C ATOM 0 HA PRO A 51 -10.205 17.098 -6.240 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.580 18.296 -7.037 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.531 19.076 -5.869 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.775 19.580 -8.830 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.635 20.741 -7.524 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.491 20.053 -9.056 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.307 20.491 -7.370 1.00 0.00 H new ATOM 809 N ALA A 52 -10.393 16.419 -9.235 1.00 0.00 N ATOM 810 CA ALA A 52 -10.797 15.426 -10.222 1.00 0.00 C ATOM 811 C ALA A 52 -9.725 14.354 -10.394 1.00 0.00 C ATOM 812 O ALA A 52 -10.034 13.190 -10.642 1.00 0.00 O ATOM 813 CB ALA A 52 -11.093 16.097 -11.555 1.00 0.00 C ATOM 0 H ALA A 52 -9.588 16.983 -9.509 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.704 14.941 -9.862 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.394 15.343 -12.283 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.899 16.820 -11.427 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.199 16.609 -11.911 1.00 0.00 H new ATOM 819 N GLU A 53 -8.466 14.758 -10.261 1.00 0.00 N ATOM 820 CA GLU A 53 -7.349 13.831 -10.403 1.00 0.00 C ATOM 821 C GLU A 53 -7.145 13.024 -9.124 1.00 0.00 C ATOM 822 O GLU A 53 -7.112 11.794 -9.150 1.00 0.00 O ATOM 823 CB GLU A 53 -6.068 14.592 -10.750 1.00 0.00 C ATOM 824 CG GLU A 53 -6.214 15.517 -11.945 1.00 0.00 C ATOM 825 CD GLU A 53 -6.659 14.788 -13.198 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.876 13.963 -13.713 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.790 15.042 -13.662 1.00 0.00 O ATOM 0 H GLU A 53 -8.194 15.719 -10.055 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.583 13.140 -11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.757 15.177 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.273 13.874 -10.952 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.936 16.298 -11.708 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.261 16.011 -12.136 1.00 0.00 H new ATOM 834 N LYS A 54 -7.008 13.727 -8.004 1.00 0.00 N ATOM 835 CA LYS A 54 -6.807 13.079 -6.714 1.00 0.00 C ATOM 836 C LYS A 54 -7.861 12.001 -6.477 1.00 0.00 C ATOM 837 O LYS A 54 -7.555 10.924 -5.967 1.00 0.00 O ATOM 838 CB LYS A 54 -6.858 14.113 -5.587 1.00 0.00 C ATOM 839 CG LYS A 54 -6.147 13.668 -4.321 1.00 0.00 C ATOM 840 CD LYS A 54 -6.684 14.390 -3.096 1.00 0.00 C ATOM 841 CE LYS A 54 -5.612 14.554 -2.030 1.00 0.00 C ATOM 842 NZ LYS A 54 -5.895 15.707 -1.132 1.00 0.00 N ATOM 0 H LYS A 54 -7.033 14.746 -7.965 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.824 12.607 -6.722 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.410 15.043 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.900 14.330 -5.351 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.269 12.592 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.078 13.858 -4.417 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.062 15.370 -3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.526 13.833 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.545 13.641 -1.439 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.643 14.696 -2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.142 15.785 -0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.934 16.582 -1.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.808 15.560 -0.656 1.00 0.00 H new ATOM 856 N GLN A 55 -9.101 12.300 -6.851 1.00 0.00 N ATOM 857 CA GLN A 55 -10.198 11.356 -6.679 1.00 0.00 C ATOM 858 C GLN A 55 -10.068 10.186 -7.649 1.00 0.00 C ATOM 859 O GLN A 55 -10.289 9.032 -7.279 1.00 0.00 O ATOM 860 CB GLN A 55 -11.541 12.058 -6.887 1.00 0.00 C ATOM 861 CG GLN A 55 -12.742 11.187 -6.557 1.00 0.00 C ATOM 862 CD GLN A 55 -12.772 10.761 -5.102 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.141 11.540 -4.223 1.00 0.00 O ATOM 864 NE2 GLN A 55 -12.384 9.518 -4.841 1.00 0.00 N ATOM 0 H GLN A 55 -9.370 13.188 -7.275 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.152 10.968 -5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.572 12.955 -6.268 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.614 12.384 -7.924 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.657 11.732 -6.791 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.728 10.300 -7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.086 8.907 -5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.384 9.175 -3.880 1.00 0.00 H new ATOM 873 N ARG A 56 -9.709 10.492 -8.891 1.00 0.00 N ATOM 874 CA ARG A 56 -9.550 9.466 -9.914 1.00 0.00 C ATOM 875 C ARG A 56 -8.465 8.468 -9.521 1.00 0.00 C ATOM 876 O ARG A 56 -8.556 7.281 -9.834 1.00 0.00 O ATOM 877 CB ARG A 56 -9.204 10.107 -11.260 1.00 0.00 C ATOM 878 CG ARG A 56 -8.808 9.102 -12.329 1.00 0.00 C ATOM 879 CD ARG A 56 -8.361 9.796 -13.607 1.00 0.00 C ATOM 880 NE ARG A 56 -7.811 8.853 -14.577 1.00 0.00 N ATOM 881 CZ ARG A 56 -7.048 9.215 -15.603 1.00 0.00 C ATOM 882 NH1 ARG A 56 -6.748 10.493 -15.791 1.00 0.00 N ATOM 883 NH2 ARG A 56 -6.584 8.299 -16.443 1.00 0.00 N ATOM 0 H ARG A 56 -9.523 11.442 -9.213 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.495 8.931 -10.005 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.062 10.679 -11.612 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.387 10.814 -11.117 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.002 8.470 -11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.652 8.447 -12.545 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.208 10.320 -14.050 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.610 10.549 -13.367 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.024 7.862 -14.461 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.103 11.200 -15.147 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.162 10.769 -16.579 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.813 7.315 -16.302 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.998 8.579 -17.230 1.00 0.00 H new ATOM 897 N TYR A 57 -7.440 8.958 -8.834 1.00 0.00 N ATOM 898 CA TYR A 57 -6.336 8.110 -8.400 1.00 0.00 C ATOM 899 C TYR A 57 -6.812 7.068 -7.392 1.00 0.00 C ATOM 900 O TYR A 57 -6.447 5.894 -7.475 1.00 0.00 O ATOM 901 CB TYR A 57 -5.223 8.961 -7.783 1.00 0.00 C ATOM 902 CG TYR A 57 -4.324 9.617 -8.805 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.715 8.868 -9.805 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.086 10.985 -8.774 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.891 9.463 -10.741 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.265 11.589 -9.707 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.671 10.824 -10.688 1.00 0.00 C ATOM 908 OH TYR A 57 -1.852 11.421 -11.620 1.00 0.00 O ATOM 0 H TYR A 57 -7.350 9.938 -8.565 1.00 0.00 H new ATOM 0 HA TYR A 57 -5.945 7.591 -9.275 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.672 9.733 -7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.618 8.333 -7.129 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.889 7.803 -9.851 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.551 11.587 -8.007 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.422 8.866 -11.509 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.090 12.654 -9.668 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.803 12.384 -11.443 1.00 0.00 H new ATOM 918 N LEU A 58 -7.630 7.505 -6.441 1.00 0.00 N ATOM 919 CA LEU A 58 -8.160 6.610 -5.417 1.00 0.00 C ATOM 920 C LEU A 58 -8.895 5.433 -6.050 1.00 0.00 C ATOM 921 O LEU A 58 -8.634 4.276 -5.718 1.00 0.00 O ATOM 922 CB LEU A 58 -9.102 7.373 -4.485 1.00 0.00 C ATOM 923 CG LEU A 58 -8.534 8.640 -3.846 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.632 9.424 -3.143 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.419 8.292 -2.872 1.00 0.00 C ATOM 0 H LEU A 58 -7.941 8.473 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.322 6.222 -4.839 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -9.996 7.643 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.417 6.699 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.118 9.266 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.208 10.322 -2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.397 9.706 -3.866 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.079 8.806 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.026 9.206 -2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.810 7.645 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.620 7.775 -3.403 1.00 0.00 H new ATOM 937 N ASP A 59 -9.812 5.735 -6.962 1.00 0.00 N ATOM 938 CA ASP A 59 -10.582 4.702 -7.644 1.00 0.00 C ATOM 939 C ASP A 59 -9.665 3.767 -8.426 1.00 0.00 C ATOM 940 O ASP A 59 -9.739 2.547 -8.284 1.00 0.00 O ATOM 941 CB ASP A 59 -11.607 5.336 -8.585 1.00 0.00 C ATOM 942 CG ASP A 59 -12.772 4.412 -8.879 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.130 3.608 -7.993 1.00 0.00 O ATOM 944 OD2 ASP A 59 -13.327 4.493 -9.995 1.00 0.00 O ATOM 0 H ASP A 59 -10.040 6.688 -7.246 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.107 4.118 -6.888 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -11.982 6.258 -8.141 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.118 5.608 -9.520 1.00 0.00 H new ATOM 949 N GLU A 60 -8.801 4.348 -9.252 1.00 0.00 N ATOM 950 CA GLU A 60 -7.871 3.567 -10.058 1.00 0.00 C ATOM 951 C GLU A 60 -7.284 2.414 -9.248 1.00 0.00 C ATOM 952 O GLU A 60 -7.222 1.279 -9.720 1.00 0.00 O ATOM 953 CB GLU A 60 -6.745 4.459 -10.586 1.00 0.00 C ATOM 954 CG GLU A 60 -7.118 5.233 -11.839 1.00 0.00 C ATOM 955 CD GLU A 60 -7.131 4.364 -13.081 1.00 0.00 C ATOM 956 OE1 GLU A 60 -6.290 3.445 -13.171 1.00 0.00 O ATOM 957 OE2 GLU A 60 -7.981 4.603 -13.964 1.00 0.00 O ATOM 0 H GLU A 60 -8.726 5.357 -9.380 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.422 3.152 -10.902 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.456 5.164 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.872 3.841 -10.797 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.102 5.682 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.411 6.051 -11.980 1.00 0.00 H new ATOM 964 N ALA A 61 -6.855 2.715 -8.027 1.00 0.00 N ATOM 965 CA ALA A 61 -6.276 1.705 -7.151 1.00 0.00 C ATOM 966 C ALA A 61 -7.356 0.804 -6.562 1.00 0.00 C ATOM 967 O ALA A 61 -7.183 -0.411 -6.475 1.00 0.00 O ATOM 968 CB ALA A 61 -5.475 2.367 -6.039 1.00 0.00 C ATOM 0 H ALA A 61 -6.898 3.650 -7.622 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.607 1.084 -7.747 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.048 1.601 -5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.673 2.963 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.130 3.012 -5.454 1.00 0.00 H new ATOM 974 N GLU A 62 -8.469 1.408 -6.158 1.00 0.00 N ATOM 975 CA GLU A 62 -9.577 0.658 -5.577 1.00 0.00 C ATOM 976 C GLU A 62 -9.998 -0.488 -6.492 1.00 0.00 C ATOM 977 O GLU A 62 -10.035 -1.647 -6.076 1.00 0.00 O ATOM 978 CB GLU A 62 -10.768 1.583 -5.318 1.00 0.00 C ATOM 979 CG GLU A 62 -10.625 2.422 -4.060 1.00 0.00 C ATOM 980 CD GLU A 62 -10.728 1.596 -2.793 1.00 0.00 C ATOM 981 OE1 GLU A 62 -11.865 1.318 -2.358 1.00 0.00 O ATOM 982 OE2 GLU A 62 -9.672 1.229 -2.237 1.00 0.00 O ATOM 0 H GLU A 62 -8.628 2.414 -6.222 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.240 0.238 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.895 2.246 -6.174 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.674 0.982 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.664 2.935 -4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.397 3.191 -4.051 1.00 0.00 H new ATOM 989 N LYS A 63 -10.316 -0.157 -7.738 1.00 0.00 N ATOM 990 CA LYS A 63 -10.734 -1.157 -8.714 1.00 0.00 C ATOM 991 C LYS A 63 -9.896 -2.424 -8.586 1.00 0.00 C ATOM 992 O LYS A 63 -10.424 -3.536 -8.632 1.00 0.00 O ATOM 993 CB LYS A 63 -10.615 -0.595 -10.132 1.00 0.00 C ATOM 994 CG LYS A 63 -11.779 0.295 -10.533 1.00 0.00 C ATOM 995 CD LYS A 63 -11.933 0.365 -12.044 1.00 0.00 C ATOM 996 CE LYS A 63 -12.668 -0.851 -12.586 1.00 0.00 C ATOM 997 NZ LYS A 63 -14.098 -0.865 -12.171 1.00 0.00 N ATOM 0 H LYS A 63 -10.292 0.797 -8.097 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.776 -1.410 -8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.689 -0.026 -10.212 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.542 -1.423 -10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.699 -0.086 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.625 1.298 -10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.477 1.270 -12.314 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.949 0.434 -12.508 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.606 -0.858 -13.674 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.178 -1.759 -12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.641 -1.473 -12.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.175 -1.234 -11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.479 0.102 -12.204 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.588 -2.251 -8.424 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.678 -3.383 -8.289 1.00 0.00 C ATOM 1013 C GLU A 64 -7.787 -4.005 -6.900 1.00 0.00 C ATOM 1014 O GLU A 64 -7.774 -5.227 -6.751 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.236 -2.942 -8.551 1.00 0.00 C ATOM 1016 CG GLU A 64 -6.039 -2.283 -9.906 1.00 0.00 C ATOM 1017 CD GLU A 64 -6.034 -3.285 -11.045 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -5.137 -4.154 -11.069 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -6.927 -3.199 -11.913 1.00 0.00 O ATOM 0 H GLU A 64 -8.135 -1.338 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.960 -4.133 -9.028 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.930 -2.246 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.581 -3.810 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.833 -1.555 -10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.098 -1.734 -9.906 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.892 -3.156 -5.884 1.00 0.00 N ATOM 1027 CA LYS A 65 -8.004 -3.620 -4.506 1.00 0.00 C ATOM 1028 C LYS A 65 -9.066 -4.706 -4.382 1.00 0.00 C ATOM 1029 O LYS A 65 -8.847 -5.730 -3.734 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.345 -2.451 -3.578 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.560 -2.864 -2.133 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.506 -1.668 -1.197 1.00 0.00 C ATOM 1033 CE LYS A 65 -8.286 -2.098 0.245 1.00 0.00 C ATOM 1034 NZ LYS A 65 -7.773 -0.982 1.086 1.00 0.00 N ATOM 0 H LYS A 65 -7.902 -2.141 -5.989 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.042 -4.041 -4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.540 -1.717 -3.621 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.246 -1.958 -3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.526 -3.360 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.799 -3.588 -1.844 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.702 -1.000 -1.505 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.436 -1.104 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.224 -2.465 0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.579 -2.928 0.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.637 -1.317 2.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.865 -0.649 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.459 -0.200 1.081 1.00 0.00 H new ATOM 1048 N GLN A 66 -10.216 -4.478 -5.009 1.00 0.00 N ATOM 1049 CA GLN A 66 -11.312 -5.440 -4.968 1.00 0.00 C ATOM 1050 C GLN A 66 -10.892 -6.769 -5.587 1.00 0.00 C ATOM 1051 O GLN A 66 -11.298 -7.834 -5.123 1.00 0.00 O ATOM 1052 CB GLN A 66 -12.533 -4.884 -5.702 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.988 -3.528 -5.189 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.503 -3.588 -3.764 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -14.678 -3.870 -3.527 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -12.623 -3.321 -2.806 1.00 0.00 N ATOM 0 H GLN A 66 -10.413 -3.637 -5.551 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.573 -5.613 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -12.301 -4.802 -6.764 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.356 -5.593 -5.609 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.156 -2.826 -5.242 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.773 -3.142 -5.839 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -11.659 -3.092 -3.048 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.911 -3.345 -1.828 1.00 0.00 H new ATOM 1065 N GLN A 67 -10.077 -6.698 -6.634 1.00 0.00 N ATOM 1066 CA GLN A 67 -9.604 -7.896 -7.316 1.00 0.00 C ATOM 1067 C GLN A 67 -8.581 -8.640 -6.463 1.00 0.00 C ATOM 1068 O GLN A 67 -8.666 -9.857 -6.294 1.00 0.00 O ATOM 1069 CB GLN A 67 -8.989 -7.531 -8.668 1.00 0.00 C ATOM 1070 CG GLN A 67 -8.322 -8.702 -9.369 1.00 0.00 C ATOM 1071 CD GLN A 67 -7.220 -8.265 -10.316 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -7.176 -8.686 -11.473 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -6.323 -7.415 -9.829 1.00 0.00 N ATOM 0 H GLN A 67 -9.731 -5.823 -7.028 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.460 -8.551 -7.480 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.768 -7.127 -9.315 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.254 -6.740 -8.522 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.907 -9.379 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -9.073 -9.263 -9.925 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -6.398 -7.092 -8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.560 -7.085 -10.420 1.00 0.00 H new ATOM 1082 N TYR A 68 -7.616 -7.902 -5.929 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.574 -8.491 -5.096 1.00 0.00 C ATOM 1084 C TYR A 68 -7.174 -9.145 -3.855 1.00 0.00 C ATOM 1085 O TYR A 68 -6.756 -10.229 -3.446 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.558 -7.426 -4.683 1.00 0.00 C ATOM 1087 CG TYR A 68 -4.858 -7.731 -3.378 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -5.483 -7.496 -2.160 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.570 -8.254 -3.363 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -4.847 -7.772 -0.966 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -2.927 -8.535 -2.174 1.00 0.00 C ATOM 1092 CZ TYR A 68 -3.569 -8.291 -0.977 1.00 0.00 C ATOM 1093 OH TYR A 68 -2.932 -8.569 0.210 1.00 0.00 O ATOM 0 H TYR A 68 -7.533 -6.894 -6.058 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.068 -9.259 -5.681 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.812 -7.323 -5.471 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.066 -6.465 -4.597 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.484 -7.090 -2.147 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.064 -8.444 -4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.348 -7.582 -0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.927 -8.943 -2.181 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.040 -8.930 0.026 1.00 0.00 H new ATOM 1103 N LEU A 69 -8.159 -8.479 -3.261 1.00 0.00 N ATOM 1104 CA LEU A 69 -8.820 -8.996 -2.067 1.00 0.00 C ATOM 1105 C LEU A 69 -9.281 -10.434 -2.278 1.00 0.00 C ATOM 1106 O LEU A 69 -8.862 -11.343 -1.562 1.00 0.00 O ATOM 1107 CB LEU A 69 -10.014 -8.113 -1.700 1.00 0.00 C ATOM 1108 CG LEU A 69 -9.702 -6.882 -0.848 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -10.892 -5.936 -0.823 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -9.317 -7.294 0.564 1.00 0.00 C ATOM 0 H LEU A 69 -8.517 -7.581 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.100 -8.983 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.491 -7.781 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.742 -8.724 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.857 -6.359 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.652 -5.066 -0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -11.122 -5.614 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.756 -6.449 -0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.098 -6.405 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.142 -7.840 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.434 -7.932 0.529 1.00 0.00 H new ATOM 1122 N LYS A 70 -10.146 -10.633 -3.267 1.00 0.00 N ATOM 1123 CA LYS A 70 -10.663 -11.961 -3.576 1.00 0.00 C ATOM 1124 C LYS A 70 -9.524 -12.938 -3.851 1.00 0.00 C ATOM 1125 O LYS A 70 -9.660 -14.141 -3.632 1.00 0.00 O ATOM 1126 CB LYS A 70 -11.598 -11.898 -4.786 1.00 0.00 C ATOM 1127 CG LYS A 70 -10.948 -11.312 -6.028 1.00 0.00 C ATOM 1128 CD LYS A 70 -11.682 -11.729 -7.290 1.00 0.00 C ATOM 1129 CE LYS A 70 -10.739 -11.819 -8.480 1.00 0.00 C ATOM 1130 NZ LYS A 70 -11.466 -12.125 -9.742 1.00 0.00 N ATOM 0 H LYS A 70 -10.504 -9.891 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 70 -11.222 -12.316 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.954 -12.903 -5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.473 -11.301 -4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.936 -10.224 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.910 -11.639 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.162 -12.695 -7.131 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.474 -11.012 -7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.202 -10.877 -8.590 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.993 -12.592 -8.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.788 -12.178 -10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.958 -13.036 -9.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.161 -11.375 -9.933 1.00 0.00 H new ATOM 1144 N GLU A 71 -8.401 -12.411 -4.331 1.00 0.00 N ATOM 1145 CA GLU A 71 -7.239 -13.237 -4.634 1.00 0.00 C ATOM 1146 C GLU A 71 -6.468 -13.581 -3.363 1.00 0.00 C ATOM 1147 O GLU A 71 -5.382 -14.159 -3.418 1.00 0.00 O ATOM 1148 CB GLU A 71 -6.319 -12.520 -5.623 1.00 0.00 C ATOM 1149 CG GLU A 71 -6.905 -12.395 -7.019 1.00 0.00 C ATOM 1150 CD GLU A 71 -5.924 -11.806 -8.014 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -5.021 -12.542 -8.463 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -6.059 -10.609 -8.344 1.00 0.00 O ATOM 0 H GLU A 71 -8.272 -11.417 -4.518 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.593 -14.164 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.095 -11.524 -5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.373 -13.058 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.221 -13.379 -7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.797 -11.769 -6.980 1.00 0.00 H new ATOM 1159 N LEU A 72 -7.036 -13.219 -2.218 1.00 0.00 N ATOM 1160 CA LEU A 72 -6.404 -13.488 -0.930 1.00 0.00 C ATOM 1161 C LEU A 72 -7.192 -14.528 -0.143 1.00 0.00 C ATOM 1162 O LEU A 72 -6.619 -15.463 0.417 1.00 0.00 O ATOM 1163 CB LEU A 72 -6.288 -12.197 -0.118 1.00 0.00 C ATOM 1164 CG LEU A 72 -5.661 -12.331 1.270 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -4.287 -12.976 1.175 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -5.570 -10.973 1.948 1.00 0.00 C ATOM 0 H LEU A 72 -7.933 -12.738 -2.155 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.406 -13.883 -1.118 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.700 -11.482 -0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.285 -11.772 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.300 -12.974 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.856 -13.063 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.380 -13.968 0.732 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.638 -12.360 0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.121 -11.088 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.954 -10.306 1.345 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.569 -10.550 2.051 1.00 0.00 H new