USER MOD reduce.3.24.130724 H: found=0, std=0, add=530, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 532 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 33 GLN : amide:sc= -1.27 K(o=-2.1,f=-0.92) USER MOD Set 1.2: A 38 SER OG : rot 46:sc= -0.868! USER MOD Set 2.1: A 13 TYR OH : rot -8:sc= -5.35! USER MOD Set 2.2: A 34 THR OG1 : rot 162:sc= 0.205 USER MOD Single : A 2 SER OG : rot 159:sc= -4.08! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0957) USER MOD Single : A 16 LYS NZ :NH3+ 154:sc= 0.0254 (180deg=-0.405) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -7.44! C(o=-7.4!,f=-13!) USER MOD Single : A 24 SER OG : rot 117:sc= 0.47 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -3.02! K(o=-3!,f=-0.081) USER MOD Single : A 62 SER OG : rot -110:sc= -0.0288 USER MOD Single : A 67 GLN : amide:sc= 0.33 X(o=0.33,f=-0.055) 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= -0.998 K(o=-1,f=0) USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 2 10.820 7.748 5.999 1.00 0.00 N ATOM 41 CA SER A 2 10.827 8.346 7.354 1.00 0.00 C ATOM 42 C SER A 2 11.805 7.495 8.183 1.00 0.00 C ATOM 43 O SER A 2 12.606 6.808 7.593 1.00 0.00 O ATOM 44 CB SER A 2 9.399 8.293 7.903 1.00 0.00 C ATOM 45 OG SER A 2 9.158 7.014 8.467 1.00 0.00 O ATOM 0 HA SER A 2 11.145 9.389 7.372 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.259 9.067 8.657 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.683 8.491 7.105 1.00 0.00 H new ATOM 0 HG SER A 2 8.411 7.070 9.099 1.00 0.00 H new ATOM 51 N PRO A 3 11.749 7.553 9.497 1.00 0.00 N ATOM 52 CA PRO A 3 12.667 6.754 10.342 1.00 0.00 C ATOM 53 C PRO A 3 12.387 5.234 10.221 1.00 0.00 C ATOM 54 O PRO A 3 11.926 4.618 11.161 1.00 0.00 O ATOM 55 CB PRO A 3 12.379 7.222 11.776 1.00 0.00 C ATOM 56 CG PRO A 3 11.259 8.290 11.712 1.00 0.00 C ATOM 57 CD PRO A 3 10.813 8.411 10.249 1.00 0.00 C ATOM 0 HA PRO A 3 13.705 6.897 10.042 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.070 6.381 12.397 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.278 7.639 12.229 1.00 0.00 H new ATOM 0 HG2 PRO A 3 10.420 8.002 12.345 1.00 0.00 H new ATOM 0 HG3 PRO A 3 11.623 9.249 12.081 1.00 0.00 H new ATOM 0 HD2 PRO A 3 9.783 8.079 10.121 1.00 0.00 H new ATOM 0 HD3 PRO A 3 10.860 9.444 9.905 1.00 0.00 H new ATOM 65 N GLU A 4 12.674 4.613 9.092 1.00 0.00 N ATOM 66 CA GLU A 4 12.435 3.146 8.958 1.00 0.00 C ATOM 67 C GLU A 4 10.937 2.843 8.925 1.00 0.00 C ATOM 68 O GLU A 4 10.457 1.976 9.628 1.00 0.00 O ATOM 69 CB GLU A 4 13.079 2.417 10.141 1.00 0.00 C ATOM 70 CG GLU A 4 14.514 2.914 10.328 1.00 0.00 C ATOM 71 CD GLU A 4 15.367 1.798 10.935 1.00 0.00 C ATOM 72 OE1 GLU A 4 14.815 0.752 11.234 1.00 0.00 O ATOM 73 OE2 GLU A 4 16.560 2.008 11.088 1.00 0.00 O ATOM 0 H GLU A 4 13.062 5.065 8.264 1.00 0.00 H new ATOM 0 HA GLU A 4 12.879 2.803 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 4 12.501 2.593 11.048 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.076 1.341 9.964 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.930 3.224 9.369 1.00 0.00 H new ATOM 0 HG3 GLU A 4 14.525 3.789 10.978 1.00 0.00 H new ATOM 80 N GLU A 5 10.191 3.540 8.112 1.00 0.00 N ATOM 81 CA GLU A 5 8.726 3.269 8.043 1.00 0.00 C ATOM 82 C GLU A 5 8.294 2.992 6.597 1.00 0.00 C ATOM 83 O GLU A 5 7.252 2.415 6.355 1.00 0.00 O ATOM 84 CB GLU A 5 7.966 4.465 8.577 1.00 0.00 C ATOM 85 CG GLU A 5 6.860 3.990 9.521 1.00 0.00 C ATOM 86 CD GLU A 5 6.019 5.188 9.964 1.00 0.00 C ATOM 87 OE1 GLU A 5 5.392 5.795 9.110 1.00 0.00 O ATOM 88 OE2 GLU A 5 6.015 5.479 11.149 1.00 0.00 O ATOM 0 H GLU A 5 10.529 4.280 7.497 1.00 0.00 H new ATOM 0 HA GLU A 5 8.505 2.389 8.647 1.00 0.00 H new ATOM 0 HB2 GLU A 5 8.645 5.135 9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.535 5.033 7.752 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.230 3.255 9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.296 3.497 10.390 1.00 0.00 H new ATOM 95 N LEU A 6 9.086 3.383 5.636 1.00 0.00 N ATOM 96 CA LEU A 6 8.725 3.126 4.218 1.00 0.00 C ATOM 97 C LEU A 6 9.154 1.711 3.826 1.00 0.00 C ATOM 98 O LEU A 6 8.372 0.946 3.300 1.00 0.00 O ATOM 99 CB LEU A 6 9.339 4.230 3.337 1.00 0.00 C ATOM 100 CG LEU A 6 10.068 3.678 2.112 1.00 0.00 C ATOM 101 CD1 LEU A 6 9.166 2.733 1.309 1.00 0.00 C ATOM 102 CD2 LEU A 6 10.497 4.843 1.218 1.00 0.00 C ATOM 0 H LEU A 6 9.971 3.871 5.775 1.00 0.00 H new ATOM 0 HA LEU A 6 7.646 3.167 4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.550 4.907 3.009 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.036 4.818 3.934 1.00 0.00 H new ATOM 0 HG LEU A 6 10.938 3.117 2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.712 2.356 0.444 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.863 1.897 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.281 3.273 0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.018 4.457 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.616 5.401 0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.163 5.503 1.774 1.00 0.00 H new ATOM 114 N LYS A 7 10.378 1.351 4.078 1.00 0.00 N ATOM 115 CA LYS A 7 10.821 -0.023 3.714 1.00 0.00 C ATOM 116 C LYS A 7 10.372 -1.013 4.789 1.00 0.00 C ATOM 117 O LYS A 7 10.735 -2.173 4.765 1.00 0.00 O ATOM 118 CB LYS A 7 12.339 -0.059 3.587 1.00 0.00 C ATOM 119 CG LYS A 7 12.725 -1.118 2.554 1.00 0.00 C ATOM 120 CD LYS A 7 14.246 -1.258 2.507 1.00 0.00 C ATOM 121 CE LYS A 7 14.829 -0.196 1.573 1.00 0.00 C ATOM 122 NZ LYS A 7 14.926 -0.749 0.194 1.00 0.00 N ATOM 0 H LYS A 7 11.086 1.940 4.516 1.00 0.00 H new ATOM 0 HA LYS A 7 10.374 -0.301 2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.715 0.918 3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.792 -0.290 4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 7 12.269 -2.074 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.345 -0.838 1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.663 -1.145 3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 7 14.519 -2.254 2.158 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.198 0.693 1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 7 15.814 0.111 1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.322 -0.028 -0.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 15.545 -1.585 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.979 -1.021 -0.138 1.00 0.00 H new ATOM 136 N GLY A 8 9.589 -0.572 5.732 1.00 0.00 N ATOM 137 CA GLY A 8 9.125 -1.496 6.805 1.00 0.00 C ATOM 138 C GLY A 8 7.731 -2.025 6.463 1.00 0.00 C ATOM 139 O GLY A 8 7.417 -3.173 6.701 1.00 0.00 O ATOM 0 H GLY A 8 9.250 0.387 5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.824 -2.326 6.911 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.102 -0.975 7.762 1.00 0.00 H new ATOM 143 N ILE A 9 6.890 -1.195 5.909 1.00 0.00 N ATOM 144 CA ILE A 9 5.515 -1.646 5.557 1.00 0.00 C ATOM 145 C ILE A 9 5.585 -2.797 4.556 1.00 0.00 C ATOM 146 O ILE A 9 4.969 -3.823 4.735 1.00 0.00 O ATOM 147 CB ILE A 9 4.753 -0.474 4.960 1.00 0.00 C ATOM 148 CG1 ILE A 9 3.261 -0.757 5.022 1.00 0.00 C ATOM 149 CG2 ILE A 9 5.168 -0.240 3.520 1.00 0.00 C ATOM 150 CD1 ILE A 9 2.706 -0.170 6.317 1.00 0.00 C ATOM 0 H ILE A 9 7.097 -0.222 5.685 1.00 0.00 H new ATOM 0 HA ILE A 9 5.000 -1.998 6.451 1.00 0.00 H new ATOM 0 HB ILE A 9 4.984 0.422 5.536 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.757 -0.318 4.161 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.078 -1.831 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.610 0.603 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.235 -0.022 3.480 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.957 -1.133 2.931 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.635 -0.365 6.376 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.206 -0.631 7.169 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.880 0.906 6.333 1.00 0.00 H new ATOM 162 N PHE A 10 6.342 -2.645 3.513 1.00 0.00 N ATOM 163 CA PHE A 10 6.466 -3.753 2.526 1.00 0.00 C ATOM 164 C PHE A 10 6.666 -5.124 3.194 1.00 0.00 C ATOM 165 O PHE A 10 5.792 -5.961 3.193 1.00 0.00 O ATOM 166 CB PHE A 10 7.627 -3.484 1.565 1.00 0.00 C ATOM 167 CG PHE A 10 7.163 -3.391 0.139 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.869 -2.993 -0.213 1.00 0.00 C ATOM 169 CD2 PHE A 10 8.055 -3.830 -0.840 1.00 0.00 C ATOM 170 CE1 PHE A 10 5.477 -3.047 -1.563 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.673 -3.863 -2.172 1.00 0.00 C ATOM 172 CZ PHE A 10 6.392 -3.483 -2.540 1.00 0.00 C ATOM 0 H PHE A 10 6.880 -1.806 3.298 1.00 0.00 H new ATOM 0 HA PHE A 10 5.525 -3.786 1.977 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.124 -2.556 1.847 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.365 -4.281 1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.179 -2.648 0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 10 9.049 -4.146 -0.558 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.477 -2.755 -1.849 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.376 -4.186 -2.926 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.095 -3.521 -3.578 1.00 0.00 H new ATOM 182 N GLU A 11 7.812 -5.373 3.741 1.00 0.00 N ATOM 183 CA GLU A 11 8.071 -6.702 4.383 1.00 0.00 C ATOM 184 C GLU A 11 6.939 -7.044 5.356 1.00 0.00 C ATOM 185 O GLU A 11 6.768 -8.177 5.756 1.00 0.00 O ATOM 186 CB GLU A 11 9.399 -6.651 5.143 1.00 0.00 C ATOM 187 CG GLU A 11 9.410 -5.440 6.077 1.00 0.00 C ATOM 188 CD GLU A 11 9.862 -5.873 7.473 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.884 -6.532 7.567 1.00 0.00 O ATOM 190 OE2 GLU A 11 9.177 -5.536 8.425 1.00 0.00 O ATOM 0 H GLU A 11 8.592 -4.717 3.777 1.00 0.00 H new ATOM 0 HA GLU A 11 8.120 -7.468 3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.536 -7.567 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.230 -6.588 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.081 -4.674 5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.415 -4.997 6.127 1.00 0.00 H new ATOM 197 N LYS A 12 6.174 -6.070 5.735 1.00 0.00 N ATOM 198 CA LYS A 12 5.042 -6.311 6.679 1.00 0.00 C ATOM 199 C LYS A 12 3.812 -6.793 5.903 1.00 0.00 C ATOM 200 O LYS A 12 3.506 -7.968 5.871 1.00 0.00 O ATOM 201 CB LYS A 12 4.703 -5.021 7.426 1.00 0.00 C ATOM 202 CG LYS A 12 3.447 -5.242 8.272 1.00 0.00 C ATOM 203 CD LYS A 12 3.559 -4.449 9.575 1.00 0.00 C ATOM 204 CE LYS A 12 3.441 -2.954 9.276 1.00 0.00 C ATOM 205 NZ LYS A 12 4.787 -2.323 9.372 1.00 0.00 N ATOM 0 H LYS A 12 6.280 -5.102 5.431 1.00 0.00 H new ATOM 0 HA LYS A 12 5.337 -7.075 7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.537 -4.726 8.063 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.540 -4.209 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.563 -4.927 7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.325 -6.303 8.490 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.775 -4.755 10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.512 -4.659 10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 12 3.026 -2.803 8.279 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.756 -2.484 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.687 -1.288 9.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.243 -2.612 10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.371 -2.628 8.568 1.00 0.00 H new ATOM 219 N TYR A 13 3.102 -5.885 5.280 1.00 0.00 N ATOM 220 CA TYR A 13 1.890 -6.281 4.507 1.00 0.00 C ATOM 221 C TYR A 13 2.316 -6.861 3.163 1.00 0.00 C ATOM 222 O TYR A 13 1.706 -7.783 2.660 1.00 0.00 O ATOM 223 CB TYR A 13 1.000 -5.056 4.278 1.00 0.00 C ATOM 224 CG TYR A 13 0.779 -4.357 5.593 1.00 0.00 C ATOM 225 CD1 TYR A 13 0.492 -5.107 6.739 1.00 0.00 C ATOM 226 CD2 TYR A 13 0.881 -2.964 5.675 1.00 0.00 C ATOM 227 CE1 TYR A 13 0.311 -4.464 7.968 1.00 0.00 C ATOM 228 CE2 TYR A 13 0.692 -2.322 6.903 1.00 0.00 C ATOM 229 CZ TYR A 13 0.412 -3.073 8.049 1.00 0.00 C ATOM 230 OH TYR A 13 0.252 -2.445 9.262 1.00 0.00 O ATOM 0 H TYR A 13 3.312 -4.887 5.275 1.00 0.00 H new ATOM 0 HA TYR A 13 1.331 -7.030 5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.469 -4.378 3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.045 -5.359 3.848 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.410 -6.182 6.675 1.00 0.00 H new ATOM 0 HD2 TYR A 13 1.105 -2.385 4.791 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.093 -5.042 8.854 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.762 -1.246 6.966 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.052 -3.095 9.929 1.00 0.00 H new ATOM 240 N ALA A 14 3.367 -6.356 2.576 1.00 0.00 N ATOM 241 CA ALA A 14 3.807 -6.934 1.280 1.00 0.00 C ATOM 242 C ALA A 14 4.214 -8.390 1.531 1.00 0.00 C ATOM 243 O ALA A 14 4.295 -9.191 0.623 1.00 0.00 O ATOM 244 CB ALA A 14 5.012 -6.150 0.730 1.00 0.00 C ATOM 0 H ALA A 14 3.929 -5.583 2.931 1.00 0.00 H new ATOM 0 HA ALA A 14 2.999 -6.878 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.325 -6.583 -0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.730 -5.108 0.578 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.836 -6.203 1.442 1.00 0.00 H new ATOM 250 N ASP A 15 4.496 -8.723 2.770 1.00 0.00 N ATOM 251 CA ASP A 15 4.935 -10.112 3.101 1.00 0.00 C ATOM 252 C ASP A 15 3.730 -11.000 3.417 1.00 0.00 C ATOM 253 O ASP A 15 3.840 -12.209 3.466 1.00 0.00 O ATOM 254 CB ASP A 15 5.848 -10.087 4.326 1.00 0.00 C ATOM 255 CG ASP A 15 6.334 -11.507 4.623 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.643 -12.216 3.681 1.00 0.00 O ATOM 257 OD2 ASP A 15 6.386 -11.861 5.790 1.00 0.00 O ATOM 0 H ASP A 15 4.440 -8.088 3.566 1.00 0.00 H new ATOM 0 HA ASP A 15 5.466 -10.513 2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.698 -9.429 4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.311 -9.687 5.186 1.00 0.00 H new ATOM 262 N LYS A 16 2.587 -10.419 3.643 1.00 0.00 N ATOM 263 CA LYS A 16 1.387 -11.231 3.962 1.00 0.00 C ATOM 264 C LYS A 16 1.015 -12.048 2.730 1.00 0.00 C ATOM 265 O LYS A 16 0.516 -13.152 2.821 1.00 0.00 O ATOM 266 CB LYS A 16 0.248 -10.281 4.329 1.00 0.00 C ATOM 267 CG LYS A 16 -1.105 -10.947 4.078 1.00 0.00 C ATOM 268 CD LYS A 16 -1.571 -10.586 2.670 1.00 0.00 C ATOM 269 CE LYS A 16 -2.841 -11.370 2.331 1.00 0.00 C ATOM 270 NZ LYS A 16 -2.482 -12.601 1.570 1.00 0.00 N ATOM 0 H LYS A 16 2.434 -9.411 3.620 1.00 0.00 H new ATOM 0 HA LYS A 16 1.579 -11.906 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.330 -9.993 5.377 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.325 -9.367 3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.020 -12.029 4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.834 -10.612 4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.764 -9.515 2.604 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.787 -10.814 1.947 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.370 -11.637 3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.516 -10.750 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.215 -13.325 1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.414 -12.375 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.567 -12.963 1.906 1.00 0.00 H new ATOM 284 N GLU A 17 1.260 -11.499 1.580 1.00 0.00 N ATOM 285 CA GLU A 17 0.928 -12.218 0.319 1.00 0.00 C ATOM 286 C GLU A 17 1.998 -13.277 0.038 1.00 0.00 C ATOM 287 O GLU A 17 1.985 -13.932 -0.986 1.00 0.00 O ATOM 288 CB GLU A 17 0.878 -11.225 -0.835 1.00 0.00 C ATOM 289 CG GLU A 17 -0.507 -11.264 -1.483 1.00 0.00 C ATOM 290 CD GLU A 17 -0.710 -12.617 -2.166 1.00 0.00 C ATOM 291 OE1 GLU A 17 -1.199 -13.522 -1.511 1.00 0.00 O ATOM 292 OE2 GLU A 17 -0.373 -12.726 -3.334 1.00 0.00 O ATOM 0 H GLU A 17 1.679 -10.577 1.455 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.043 -12.702 0.422 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.094 -10.220 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.643 -11.469 -1.572 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.278 -11.105 -0.729 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.603 -10.459 -2.211 1.00 0.00 H new ATOM 299 N GLY A 18 2.919 -13.459 0.946 1.00 0.00 N ATOM 300 CA GLY A 18 3.980 -14.482 0.747 1.00 0.00 C ATOM 301 C GLY A 18 5.226 -13.837 0.141 1.00 0.00 C ATOM 302 O GLY A 18 5.715 -14.265 -0.885 1.00 0.00 O ATOM 0 H GLY A 18 2.980 -12.939 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.230 -14.948 1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.615 -15.273 0.091 1.00 0.00 H new ATOM 306 N ASP A 19 5.756 -12.820 0.766 1.00 0.00 N ATOM 307 CA ASP A 19 6.978 -12.182 0.201 1.00 0.00 C ATOM 308 C ASP A 19 7.401 -10.966 1.031 1.00 0.00 C ATOM 309 O ASP A 19 8.250 -11.059 1.895 1.00 0.00 O ATOM 310 CB ASP A 19 6.712 -11.762 -1.248 1.00 0.00 C ATOM 311 CG ASP A 19 7.940 -12.089 -2.099 1.00 0.00 C ATOM 312 OD1 ASP A 19 8.816 -11.245 -2.187 1.00 0.00 O ATOM 313 OD2 ASP A 19 7.984 -13.179 -2.643 1.00 0.00 O ATOM 0 H ASP A 19 5.402 -12.409 1.630 1.00 0.00 H new ATOM 0 HA ASP A 19 7.791 -12.907 0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.837 -12.283 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.495 -10.695 -1.296 1.00 0.00 H new ATOM 318 N GLY A 20 6.848 -9.824 0.751 1.00 0.00 N ATOM 319 CA GLY A 20 7.247 -8.593 1.489 1.00 0.00 C ATOM 320 C GLY A 20 7.805 -7.607 0.470 1.00 0.00 C ATOM 321 O GLY A 20 7.997 -6.442 0.755 1.00 0.00 O ATOM 0 H GLY A 20 6.132 -9.687 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.391 -8.163 2.009 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.995 -8.826 2.246 1.00 0.00 H new ATOM 325 N ASN A 21 8.075 -8.073 -0.722 1.00 0.00 N ATOM 326 CA ASN A 21 8.622 -7.180 -1.754 1.00 0.00 C ATOM 327 C ASN A 21 7.517 -6.694 -2.721 1.00 0.00 C ATOM 328 O ASN A 21 7.787 -5.963 -3.650 1.00 0.00 O ATOM 329 CB ASN A 21 9.703 -7.942 -2.515 1.00 0.00 C ATOM 330 CG ASN A 21 11.046 -7.732 -1.823 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.787 -6.829 -2.159 1.00 0.00 O ATOM 332 ND2 ASN A 21 11.390 -8.538 -0.857 1.00 0.00 N ATOM 0 H ASN A 21 7.935 -9.040 -1.014 1.00 0.00 H new ATOM 0 HA ASN A 21 9.045 -6.293 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.460 -9.004 -2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.753 -7.593 -3.546 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.283 -8.412 -0.381 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.766 -9.295 -0.578 1.00 0.00 H new ATOM 339 N GLN A 22 6.278 -7.068 -2.503 1.00 0.00 N ATOM 340 CA GLN A 22 5.174 -6.582 -3.401 1.00 0.00 C ATOM 341 C GLN A 22 3.870 -6.515 -2.602 1.00 0.00 C ATOM 342 O GLN A 22 3.699 -7.192 -1.607 1.00 0.00 O ATOM 343 CB GLN A 22 4.973 -7.507 -4.608 1.00 0.00 C ATOM 344 CG GLN A 22 6.306 -8.108 -5.050 1.00 0.00 C ATOM 345 CD GLN A 22 6.646 -9.298 -4.156 1.00 0.00 C ATOM 346 OE1 GLN A 22 7.727 -9.372 -3.608 1.00 0.00 O ATOM 347 NE2 GLN A 22 5.763 -10.241 -3.988 1.00 0.00 N ATOM 0 H GLN A 22 5.982 -7.685 -1.747 1.00 0.00 H new ATOM 0 HA GLN A 22 5.452 -5.596 -3.772 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.276 -8.304 -4.350 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.528 -6.948 -5.432 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.247 -8.426 -6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.094 -7.357 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.855 -10.178 -4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.979 -11.043 -3.396 1.00 0.00 H new ATOM 356 N LEU A 23 2.964 -5.672 -3.013 1.00 0.00 N ATOM 357 CA LEU A 23 1.688 -5.513 -2.267 1.00 0.00 C ATOM 358 C LEU A 23 0.474 -5.817 -3.158 1.00 0.00 C ATOM 359 O LEU A 23 0.597 -6.359 -4.230 1.00 0.00 O ATOM 360 CB LEU A 23 1.632 -4.063 -1.803 1.00 0.00 C ATOM 361 CG LEU A 23 2.043 -4.016 -0.343 1.00 0.00 C ATOM 362 CD1 LEU A 23 2.295 -2.571 0.077 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.935 -4.622 0.520 1.00 0.00 C ATOM 0 H LEU A 23 3.055 -5.083 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 23 1.654 -6.210 -1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.298 -3.445 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.626 -3.663 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 23 2.960 -4.590 -0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.590 -2.543 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.091 -2.148 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.384 -1.988 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.231 -4.588 1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.015 -4.053 0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.768 -5.658 0.224 1.00 0.00 H new ATOM 375 N SER A 24 -0.704 -5.469 -2.703 1.00 0.00 N ATOM 376 CA SER A 24 -1.926 -5.693 -3.469 1.00 0.00 C ATOM 377 C SER A 24 -2.947 -4.688 -2.934 1.00 0.00 C ATOM 378 O SER A 24 -2.643 -3.902 -2.058 1.00 0.00 O ATOM 379 CB SER A 24 -2.410 -7.117 -3.234 1.00 0.00 C ATOM 380 OG SER A 24 -1.335 -7.899 -2.729 1.00 0.00 O ATOM 0 H SER A 24 -0.853 -5.024 -1.797 1.00 0.00 H new ATOM 0 HA SER A 24 -1.772 -5.563 -4.540 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.240 -7.120 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.782 -7.546 -4.165 1.00 0.00 H new ATOM 0 HG SER A 24 -1.557 -8.218 -1.829 1.00 0.00 H new ATOM 386 N LYS A 25 -4.140 -4.689 -3.433 1.00 0.00 N ATOM 387 CA LYS A 25 -5.147 -3.716 -2.926 1.00 0.00 C ATOM 388 C LYS A 25 -5.693 -4.193 -1.579 1.00 0.00 C ATOM 389 O LYS A 25 -6.145 -3.406 -0.771 1.00 0.00 O ATOM 390 CB LYS A 25 -6.297 -3.590 -3.922 1.00 0.00 C ATOM 391 CG LYS A 25 -6.773 -2.134 -3.962 1.00 0.00 C ATOM 392 CD LYS A 25 -6.769 -1.633 -5.408 1.00 0.00 C ATOM 393 CE LYS A 25 -8.028 -2.122 -6.124 1.00 0.00 C ATOM 394 NZ LYS A 25 -8.966 -0.980 -6.322 1.00 0.00 N ATOM 0 H LYS A 25 -4.468 -5.316 -4.168 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.669 -2.744 -2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.971 -3.906 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.118 -4.246 -3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.776 -2.057 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.122 -1.511 -3.349 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.728 -0.544 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.880 -1.994 -5.926 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.764 -2.560 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.511 -2.905 -5.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.822 -1.314 -6.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -9.227 -0.581 -5.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.504 -0.247 -6.897 1.00 0.00 H new ATOM 408 N GLU A 26 -5.654 -5.472 -1.326 1.00 0.00 N ATOM 409 CA GLU A 26 -6.166 -5.988 -0.028 1.00 0.00 C ATOM 410 C GLU A 26 -5.095 -5.807 1.047 1.00 0.00 C ATOM 411 O GLU A 26 -5.310 -6.106 2.205 1.00 0.00 O ATOM 412 CB GLU A 26 -6.510 -7.472 -0.168 1.00 0.00 C ATOM 413 CG GLU A 26 -7.916 -7.615 -0.755 1.00 0.00 C ATOM 414 CD GLU A 26 -8.205 -9.091 -1.031 1.00 0.00 C ATOM 415 OE1 GLU A 26 -7.612 -9.629 -1.952 1.00 0.00 O ATOM 416 OE2 GLU A 26 -9.015 -9.659 -0.317 1.00 0.00 O ATOM 0 H GLU A 26 -5.290 -6.181 -1.962 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.062 -5.436 0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.783 -7.966 -0.813 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.458 -7.962 0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.654 -7.212 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.997 -7.039 -1.677 1.00 0.00 H new ATOM 423 N GLU A 27 -3.940 -5.325 0.676 1.00 0.00 N ATOM 424 CA GLU A 27 -2.862 -5.134 1.685 1.00 0.00 C ATOM 425 C GLU A 27 -2.472 -3.657 1.759 1.00 0.00 C ATOM 426 O GLU A 27 -1.644 -3.267 2.559 1.00 0.00 O ATOM 427 CB GLU A 27 -1.644 -5.973 1.297 1.00 0.00 C ATOM 428 CG GLU A 27 -1.937 -7.448 1.577 1.00 0.00 C ATOM 429 CD GLU A 27 -1.030 -8.326 0.713 1.00 0.00 C ATOM 430 OE1 GLU A 27 0.174 -8.275 0.908 1.00 0.00 O ATOM 431 OE2 GLU A 27 -1.555 -9.036 -0.130 1.00 0.00 O ATOM 0 H GLU A 27 -3.698 -5.057 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.224 -5.453 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.411 -5.830 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -0.770 -5.650 1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.774 -7.667 2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.983 -7.668 1.364 1.00 0.00 H new ATOM 438 N LEU A 28 -3.081 -2.823 0.961 1.00 0.00 N ATOM 439 CA LEU A 28 -2.772 -1.382 1.021 1.00 0.00 C ATOM 440 C LEU A 28 -3.706 -0.810 2.086 1.00 0.00 C ATOM 441 O LEU A 28 -3.335 0.012 2.897 1.00 0.00 O ATOM 442 CB LEU A 28 -3.016 -0.779 -0.369 1.00 0.00 C ATOM 443 CG LEU A 28 -3.758 0.551 -0.266 1.00 0.00 C ATOM 444 CD1 LEU A 28 -2.868 1.585 0.427 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.117 1.049 -1.669 1.00 0.00 C ATOM 0 H LEU A 28 -3.782 -3.087 0.269 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.738 -1.161 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.063 -0.629 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.594 -1.476 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.670 0.409 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.400 2.533 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.614 1.234 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.955 1.725 -0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.647 1.999 -1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.205 1.187 -2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.755 0.316 -2.163 1.00 0.00 H new ATOM 457 N LYS A 29 -4.906 -1.314 2.101 1.00 0.00 N ATOM 458 CA LYS A 29 -5.904 -0.936 3.090 1.00 0.00 C ATOM 459 C LYS A 29 -5.335 -1.150 4.499 1.00 0.00 C ATOM 460 O LYS A 29 -5.340 -0.258 5.322 1.00 0.00 O ATOM 461 CB LYS A 29 -7.052 -1.877 2.859 1.00 0.00 C ATOM 462 CG LYS A 29 -8.048 -1.623 3.941 1.00 0.00 C ATOM 463 CD LYS A 29 -9.408 -2.153 3.516 1.00 0.00 C ATOM 464 CE LYS A 29 -10.019 -2.982 4.668 1.00 0.00 C ATOM 465 NZ LYS A 29 -11.198 -3.738 4.161 1.00 0.00 N ATOM 0 H LYS A 29 -5.233 -2.006 1.426 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.202 0.109 3.004 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.497 -1.709 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.713 -2.913 2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.729 -2.108 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.111 -0.555 4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.069 -1.325 3.259 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.307 -2.770 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.276 -3.671 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.318 -2.325 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.611 -4.297 4.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.909 -3.071 3.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.899 -4.375 3.395 1.00 0.00 H new ATOM 479 N LEU A 30 -4.832 -2.329 4.780 1.00 0.00 N ATOM 480 CA LEU A 30 -4.254 -2.587 6.131 1.00 0.00 C ATOM 481 C LEU A 30 -3.099 -1.613 6.358 1.00 0.00 C ATOM 482 O LEU A 30 -2.703 -1.336 7.473 1.00 0.00 O ATOM 483 CB LEU A 30 -3.735 -4.025 6.199 1.00 0.00 C ATOM 484 CG LEU A 30 -4.913 -4.997 6.115 1.00 0.00 C ATOM 485 CD1 LEU A 30 -5.222 -5.299 4.649 1.00 0.00 C ATOM 486 CD2 LEU A 30 -4.554 -6.300 6.836 1.00 0.00 C ATOM 0 H LEU A 30 -4.798 -3.118 4.134 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.016 -2.448 6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.038 -4.210 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.186 -4.181 7.128 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.787 -4.548 6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.061 -5.992 4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.478 -4.374 4.133 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.347 -5.747 4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.394 -6.992 6.776 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.680 -6.748 6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.333 -6.088 7.882 1.00 0.00 H new ATOM 498 N LEU A 31 -2.569 -1.087 5.293 1.00 0.00 N ATOM 499 CA LEU A 31 -1.451 -0.119 5.396 1.00 0.00 C ATOM 500 C LEU A 31 -1.936 1.105 6.162 1.00 0.00 C ATOM 501 O LEU A 31 -1.560 1.329 7.295 1.00 0.00 O ATOM 502 CB LEU A 31 -1.024 0.302 3.990 1.00 0.00 C ATOM 503 CG LEU A 31 0.496 0.452 3.936 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.979 0.273 2.494 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.884 1.844 4.435 1.00 0.00 C ATOM 0 H LEU A 31 -2.870 -1.292 4.340 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.606 -0.573 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.352 -0.441 3.262 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.502 1.244 3.721 1.00 0.00 H new ATOM 0 HG LEU A 31 0.959 -0.306 4.568 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.063 0.380 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.700 -0.719 2.137 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.518 1.030 1.859 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.968 1.955 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.420 2.600 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.541 1.971 5.462 1.00 0.00 H new ATOM 517 N LEU A 32 -2.772 1.903 5.551 1.00 0.00 N ATOM 518 CA LEU A 32 -3.271 3.104 6.250 1.00 0.00 C ATOM 519 C LEU A 32 -3.758 2.721 7.638 1.00 0.00 C ATOM 520 O LEU A 32 -3.323 3.276 8.600 1.00 0.00 O ATOM 521 CB LEU A 32 -4.425 3.749 5.492 1.00 0.00 C ATOM 522 CG LEU A 32 -4.279 3.562 3.983 1.00 0.00 C ATOM 523 CD1 LEU A 32 -2.812 3.637 3.545 1.00 0.00 C ATOM 524 CD2 LEU A 32 -4.890 2.227 3.587 1.00 0.00 C ATOM 0 H LEU A 32 -3.124 1.769 4.603 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.449 3.817 6.314 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.368 3.314 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.465 4.813 5.725 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.805 4.371 3.477 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.747 3.500 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.402 4.611 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.242 2.854 4.045 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.790 2.086 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.373 1.421 4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.946 2.215 3.858 1.00 0.00 H new ATOM 536 N GLN A 33 -4.675 1.792 7.721 1.00 0.00 N ATOM 537 CA GLN A 33 -5.259 1.360 9.064 1.00 0.00 C ATOM 538 C GLN A 33 -4.213 1.193 10.167 1.00 0.00 C ATOM 539 O GLN A 33 -4.276 1.863 11.178 1.00 0.00 O ATOM 540 CB GLN A 33 -5.976 0.013 8.895 1.00 0.00 C ATOM 541 CG GLN A 33 -7.394 0.214 8.359 1.00 0.00 C ATOM 542 CD GLN A 33 -8.141 -1.122 8.382 1.00 0.00 C ATOM 543 OE1 GLN A 33 -8.403 -1.663 9.438 1.00 0.00 O ATOM 544 NE2 GLN A 33 -8.498 -1.681 7.258 1.00 0.00 N ATOM 0 H GLN A 33 -5.060 1.298 6.916 1.00 0.00 H new ATOM 0 HA GLN A 33 -5.938 2.157 9.368 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.411 -0.621 8.212 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.015 -0.506 9.853 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.923 0.949 8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.358 0.606 7.342 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -8.279 -1.228 6.371 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -8.996 -2.571 7.267 1.00 0.00 H new ATOM 553 N THR A 34 -3.306 0.273 10.024 1.00 0.00 N ATOM 554 CA THR A 34 -2.301 0.037 11.109 1.00 0.00 C ATOM 555 C THR A 34 -1.880 1.361 11.756 1.00 0.00 C ATOM 556 O THR A 34 -1.499 1.409 12.909 1.00 0.00 O ATOM 557 CB THR A 34 -1.080 -0.661 10.524 1.00 0.00 C ATOM 558 OG1 THR A 34 -0.186 -1.012 11.571 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.378 0.273 9.538 1.00 0.00 C ATOM 0 H THR A 34 -3.211 -0.329 9.206 1.00 0.00 H new ATOM 0 HA THR A 34 -2.754 -0.592 11.876 1.00 0.00 H new ATOM 0 HB THR A 34 -1.395 -1.564 10.001 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.434 -1.701 11.254 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.495 -0.228 9.121 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.065 0.535 8.733 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.063 1.179 10.056 1.00 0.00 H new ATOM 567 N GLU A 35 -1.940 2.431 11.020 1.00 0.00 N ATOM 568 CA GLU A 35 -1.540 3.752 11.579 1.00 0.00 C ATOM 569 C GLU A 35 -2.698 4.750 11.453 1.00 0.00 C ATOM 570 O GLU A 35 -2.690 5.812 12.040 1.00 0.00 O ATOM 571 CB GLU A 35 -0.361 4.266 10.769 1.00 0.00 C ATOM 572 CG GLU A 35 0.714 3.178 10.673 1.00 0.00 C ATOM 573 CD GLU A 35 2.064 3.817 10.343 1.00 0.00 C ATOM 574 OE1 GLU A 35 2.063 4.887 9.755 1.00 0.00 O ATOM 575 OE2 GLU A 35 3.076 3.226 10.681 1.00 0.00 O ATOM 0 H GLU A 35 -2.251 2.450 10.049 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.277 3.644 12.631 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.691 4.554 9.771 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.053 5.159 11.238 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.779 2.633 11.615 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.445 2.454 9.904 1.00 0.00 H new ATOM 582 N PHE A 36 -3.680 4.407 10.676 1.00 0.00 N ATOM 583 CA PHE A 36 -4.837 5.289 10.454 1.00 0.00 C ATOM 584 C PHE A 36 -6.023 4.476 9.942 1.00 0.00 C ATOM 585 O PHE A 36 -6.313 4.543 8.769 1.00 0.00 O ATOM 586 CB PHE A 36 -4.504 6.356 9.400 1.00 0.00 C ATOM 587 CG PHE A 36 -3.009 6.509 9.217 1.00 0.00 C ATOM 588 CD1 PHE A 36 -2.274 7.352 10.059 1.00 0.00 C ATOM 589 CD2 PHE A 36 -2.363 5.822 8.180 1.00 0.00 C ATOM 590 CE1 PHE A 36 -0.895 7.504 9.867 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.985 5.973 7.989 1.00 0.00 C ATOM 592 CZ PHE A 36 -0.250 6.814 8.831 1.00 0.00 C ATOM 0 H PHE A 36 -3.724 3.521 10.172 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.083 5.766 11.403 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.962 6.084 8.449 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.934 7.312 9.700 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.770 7.885 10.856 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.930 5.175 7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.328 8.153 10.518 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.489 5.440 7.191 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.813 6.932 8.683 1.00 0.00 H new ATOM 602 N PRO A 37 -6.705 3.792 10.857 1.00 0.00 N ATOM 603 CA PRO A 37 -7.905 3.017 10.592 1.00 0.00 C ATOM 604 C PRO A 37 -8.542 3.560 9.364 1.00 0.00 C ATOM 605 O PRO A 37 -9.398 4.419 9.353 1.00 0.00 O ATOM 606 CB PRO A 37 -8.720 3.172 11.856 1.00 0.00 C ATOM 607 CG PRO A 37 -7.668 3.454 12.947 1.00 0.00 C ATOM 608 CD PRO A 37 -6.339 3.756 12.229 1.00 0.00 C ATOM 0 HA PRO A 37 -7.755 1.957 10.389 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.436 3.990 11.771 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.291 2.270 12.076 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.972 4.298 13.566 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.561 2.595 13.610 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.913 4.704 12.556 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.593 2.986 12.425 1.00 0.00 H new ATOM 616 N SER A 38 -7.964 3.084 8.348 1.00 0.00 N ATOM 617 CA SER A 38 -8.255 3.510 6.955 1.00 0.00 C ATOM 618 C SER A 38 -9.635 4.113 6.883 1.00 0.00 C ATOM 619 O SER A 38 -10.641 3.478 6.637 1.00 0.00 O ATOM 620 CB SER A 38 -8.188 2.295 6.027 1.00 0.00 C ATOM 621 OG SER A 38 -9.113 1.312 6.475 1.00 0.00 O ATOM 0 H SER A 38 -7.245 2.363 8.408 1.00 0.00 H new ATOM 0 HA SER A 38 -7.519 4.252 6.646 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.420 2.591 5.004 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.178 1.884 6.018 1.00 0.00 H new ATOM 0 HG SER A 38 -9.973 1.738 6.672 1.00 0.00 H new ATOM 627 N LEU A 39 -9.619 5.393 7.084 1.00 0.00 N ATOM 628 CA LEU A 39 -10.830 6.221 7.038 1.00 0.00 C ATOM 629 C LEU A 39 -11.125 6.489 5.561 1.00 0.00 C ATOM 630 O LEU A 39 -12.075 7.159 5.206 1.00 0.00 O ATOM 631 CB LEU A 39 -10.534 7.531 7.789 1.00 0.00 C ATOM 632 CG LEU A 39 -9.864 7.213 9.145 1.00 0.00 C ATOM 633 CD1 LEU A 39 -8.343 7.059 8.983 1.00 0.00 C ATOM 634 CD2 LEU A 39 -10.127 8.345 10.131 1.00 0.00 C ATOM 0 H LEU A 39 -8.768 5.918 7.288 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.690 5.739 7.503 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.881 8.166 7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.458 8.086 7.950 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.286 6.279 9.515 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.895 6.836 9.951 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.132 6.246 8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.923 7.986 8.594 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.652 8.115 11.085 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.716 9.274 9.736 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.201 8.457 10.278 1.00 0.00 H new ATOM 646 N LEU A 40 -10.298 5.943 4.699 1.00 0.00 N ATOM 647 CA LEU A 40 -10.480 6.115 3.238 1.00 0.00 C ATOM 648 C LEU A 40 -11.942 5.839 2.890 1.00 0.00 C ATOM 649 O LEU A 40 -12.454 6.293 1.887 1.00 0.00 O ATOM 650 CB LEU A 40 -9.580 5.115 2.487 1.00 0.00 C ATOM 651 CG LEU A 40 -8.157 5.039 3.097 1.00 0.00 C ATOM 652 CD1 LEU A 40 -7.177 4.593 2.012 1.00 0.00 C ATOM 653 CD2 LEU A 40 -7.700 6.412 3.620 1.00 0.00 C ATOM 0 H LEU A 40 -9.492 5.376 4.961 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.212 7.131 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.038 4.126 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.510 5.407 1.439 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.179 4.333 3.927 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.172 4.536 2.430 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.470 3.612 1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.189 5.312 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.699 6.326 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.687 7.128 2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.390 6.756 4.391 1.00 0.00 H new ATOM 767 N GLU A 48 -8.052 6.146 -6.145 1.00 0.00 N ATOM 768 CA GLU A 48 -7.138 7.164 -6.703 1.00 0.00 C ATOM 769 C GLU A 48 -5.754 6.917 -6.134 1.00 0.00 C ATOM 770 O GLU A 48 -4.765 7.460 -6.584 1.00 0.00 O ATOM 771 CB GLU A 48 -7.614 8.542 -6.288 1.00 0.00 C ATOM 772 CG GLU A 48 -7.287 9.510 -7.411 1.00 0.00 C ATOM 773 CD GLU A 48 -7.903 10.880 -7.118 1.00 0.00 C ATOM 774 OE1 GLU A 48 -8.802 10.940 -6.296 1.00 0.00 O ATOM 775 OE2 GLU A 48 -7.464 11.846 -7.720 1.00 0.00 O ATOM 0 HA GLU A 48 -7.117 7.103 -7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.687 8.532 -6.094 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.126 8.851 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.206 9.604 -7.518 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.669 9.125 -8.357 1.00 0.00 H new ATOM 782 N LEU A 49 -5.690 6.080 -5.148 1.00 0.00 N ATOM 783 CA LEU A 49 -4.392 5.748 -4.523 1.00 0.00 C ATOM 784 C LEU A 49 -3.781 4.597 -5.310 1.00 0.00 C ATOM 785 O LEU A 49 -2.585 4.376 -5.312 1.00 0.00 O ATOM 786 CB LEU A 49 -4.661 5.312 -3.087 1.00 0.00 C ATOM 787 CG LEU A 49 -3.489 5.728 -2.197 1.00 0.00 C ATOM 788 CD1 LEU A 49 -3.606 7.216 -1.864 1.00 0.00 C ATOM 789 CD2 LEU A 49 -3.514 4.917 -0.900 1.00 0.00 C ATOM 0 H LEU A 49 -6.496 5.604 -4.742 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.712 6.600 -4.525 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.584 5.765 -2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.798 4.232 -3.044 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.553 5.542 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.771 7.514 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.587 7.798 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.544 7.399 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.678 5.216 -0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.451 5.101 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.432 3.855 -1.133 1.00 0.00 H new ATOM 801 N PHE A 50 -4.620 3.870 -5.984 1.00 0.00 N ATOM 802 CA PHE A 50 -4.156 2.718 -6.802 1.00 0.00 C ATOM 803 C PHE A 50 -3.688 3.214 -8.173 1.00 0.00 C ATOM 804 O PHE A 50 -2.648 2.824 -8.667 1.00 0.00 O ATOM 805 CB PHE A 50 -5.317 1.741 -6.973 1.00 0.00 C ATOM 806 CG PHE A 50 -4.788 0.405 -7.434 1.00 0.00 C ATOM 807 CD1 PHE A 50 -4.059 -0.400 -6.549 1.00 0.00 C ATOM 808 CD2 PHE A 50 -5.026 -0.030 -8.742 1.00 0.00 C ATOM 809 CE1 PHE A 50 -3.569 -1.639 -6.972 1.00 0.00 C ATOM 810 CE2 PHE A 50 -4.535 -1.272 -9.165 1.00 0.00 C ATOM 811 CZ PHE A 50 -3.806 -2.076 -8.280 1.00 0.00 C ATOM 0 H PHE A 50 -5.628 4.027 -6.004 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.323 2.220 -6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.852 1.626 -6.030 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.031 2.131 -7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.875 -0.063 -5.539 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.587 0.591 -9.425 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.007 -2.259 -6.289 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.719 -1.610 -10.174 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.427 -3.033 -8.607 1.00 0.00 H new ATOM 821 N GLU A 51 -4.462 4.064 -8.797 1.00 0.00 N ATOM 822 CA GLU A 51 -4.080 4.584 -10.141 1.00 0.00 C ATOM 823 C GLU A 51 -2.759 5.346 -10.044 1.00 0.00 C ATOM 824 O GLU A 51 -1.893 5.212 -10.883 1.00 0.00 O ATOM 825 CB GLU A 51 -5.172 5.524 -10.654 1.00 0.00 C ATOM 826 CG GLU A 51 -4.748 6.107 -12.002 1.00 0.00 C ATOM 827 CD GLU A 51 -5.966 6.198 -12.924 1.00 0.00 C ATOM 828 OE1 GLU A 51 -7.026 5.752 -12.517 1.00 0.00 O ATOM 829 OE2 GLU A 51 -5.817 6.709 -14.021 1.00 0.00 O ATOM 0 H GLU A 51 -5.345 4.421 -8.431 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.964 3.747 -10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.113 4.984 -10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.344 6.326 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -4.310 7.095 -11.861 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.981 5.480 -12.456 1.00 0.00 H new ATOM 836 N GLU A 52 -2.595 6.143 -9.024 1.00 0.00 N ATOM 837 CA GLU A 52 -1.322 6.905 -8.882 1.00 0.00 C ATOM 838 C GLU A 52 -0.150 5.945 -9.076 1.00 0.00 C ATOM 839 O GLU A 52 0.940 6.340 -9.442 1.00 0.00 O ATOM 840 CB GLU A 52 -1.248 7.528 -7.487 1.00 0.00 C ATOM 841 CG GLU A 52 0.050 8.328 -7.355 1.00 0.00 C ATOM 842 CD GLU A 52 -0.254 9.820 -7.488 1.00 0.00 C ATOM 843 OE1 GLU A 52 -1.179 10.154 -8.211 1.00 0.00 O ATOM 844 OE2 GLU A 52 0.441 10.605 -6.864 1.00 0.00 O ATOM 0 H GLU A 52 -3.283 6.299 -8.287 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.280 7.698 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.107 8.178 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -1.287 6.748 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.518 8.126 -6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.759 8.021 -8.124 1.00 0.00 H new ATOM 851 N LEU A 53 -0.372 4.682 -8.837 1.00 0.00 N ATOM 852 CA LEU A 53 0.718 3.683 -9.010 1.00 0.00 C ATOM 853 C LEU A 53 0.716 3.182 -10.454 1.00 0.00 C ATOM 854 O LEU A 53 0.240 3.848 -11.353 1.00 0.00 O ATOM 855 CB LEU A 53 0.481 2.496 -8.069 1.00 0.00 C ATOM 856 CG LEU A 53 0.128 2.998 -6.668 1.00 0.00 C ATOM 857 CD1 LEU A 53 -0.474 1.851 -5.856 1.00 0.00 C ATOM 858 CD2 LEU A 53 1.392 3.502 -5.975 1.00 0.00 C ATOM 0 H LEU A 53 -1.265 4.298 -8.528 1.00 0.00 H new ATOM 0 HA LEU A 53 1.676 4.148 -8.778 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.326 1.872 -8.454 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.374 1.872 -8.026 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.594 3.811 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.727 2.206 -4.857 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.375 1.489 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.250 1.040 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.141 3.860 -4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.114 2.689 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.824 4.317 -6.555 1.00 0.00 H new ATOM 870 N ASP A 54 1.234 2.008 -10.685 1.00 0.00 N ATOM 871 CA ASP A 54 1.252 1.464 -12.070 1.00 0.00 C ATOM 872 C ASP A 54 -0.079 0.771 -12.356 1.00 0.00 C ATOM 873 O ASP A 54 -0.873 0.537 -11.465 1.00 0.00 O ATOM 874 CB ASP A 54 2.390 0.452 -12.214 1.00 0.00 C ATOM 875 CG ASP A 54 2.630 0.167 -13.698 1.00 0.00 C ATOM 876 OD1 ASP A 54 2.583 1.105 -14.476 1.00 0.00 O ATOM 877 OD2 ASP A 54 2.859 -0.984 -14.030 1.00 0.00 O ATOM 0 H ASP A 54 1.645 1.403 -9.975 1.00 0.00 H new ATOM 0 HA ASP A 54 1.404 2.280 -12.777 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.299 0.842 -11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.140 -0.471 -11.691 1.00 0.00 H new ATOM 882 N LYS A 55 -0.331 0.438 -13.591 1.00 0.00 N ATOM 883 CA LYS A 55 -1.610 -0.241 -13.929 1.00 0.00 C ATOM 884 C LYS A 55 -1.333 -1.713 -14.233 1.00 0.00 C ATOM 885 O LYS A 55 -0.584 -2.042 -15.130 1.00 0.00 O ATOM 886 CB LYS A 55 -2.237 0.426 -15.153 1.00 0.00 C ATOM 887 CG LYS A 55 -2.316 1.936 -14.925 1.00 0.00 C ATOM 888 CD LYS A 55 -3.775 2.340 -14.699 1.00 0.00 C ATOM 889 CE LYS A 55 -4.646 1.802 -15.860 1.00 0.00 C ATOM 890 NZ LYS A 55 -5.815 2.704 -16.057 1.00 0.00 N ATOM 0 H LYS A 55 0.294 0.607 -14.379 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.298 -0.165 -13.087 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.643 0.212 -16.042 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -3.233 0.021 -15.331 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.712 2.217 -14.063 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.909 2.467 -15.786 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.131 1.942 -13.749 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.858 3.425 -14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.057 1.745 -16.776 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.986 0.791 -15.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.403 2.345 -16.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.380 2.736 -15.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.480 3.661 -16.288 1.00 0.00 H new ATOM 904 N ASN A 56 -1.932 -2.600 -13.491 1.00 0.00 N ATOM 905 CA ASN A 56 -1.706 -4.048 -13.729 1.00 0.00 C ATOM 906 C ASN A 56 -3.017 -4.798 -13.501 1.00 0.00 C ATOM 907 O ASN A 56 -4.041 -4.203 -13.234 1.00 0.00 O ATOM 908 CB ASN A 56 -0.649 -4.564 -12.753 1.00 0.00 C ATOM 909 CG ASN A 56 -0.718 -3.772 -11.445 1.00 0.00 C ATOM 910 OD1 ASN A 56 0.294 -3.487 -10.837 1.00 0.00 O ATOM 911 ND2 ASN A 56 -1.881 -3.407 -10.986 1.00 0.00 N ATOM 0 H ASN A 56 -2.571 -2.382 -12.727 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.362 -4.206 -14.751 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.810 -5.624 -12.556 1.00 0.00 H new ATOM 0 HB3 ASN A 56 0.343 -4.469 -13.194 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.943 -2.881 -10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.730 -3.647 -11.498 1.00 0.00 H new ATOM 918 N GLY A 57 -2.994 -6.099 -13.600 1.00 0.00 N ATOM 919 CA GLY A 57 -4.245 -6.877 -13.378 1.00 0.00 C ATOM 920 C GLY A 57 -4.956 -6.329 -12.144 1.00 0.00 C ATOM 921 O GLY A 57 -6.163 -6.400 -12.035 1.00 0.00 O ATOM 0 H GLY A 57 -2.168 -6.654 -13.824 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.894 -6.804 -14.251 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.013 -7.933 -13.241 1.00 0.00 H new ATOM 925 N ASP A 58 -4.192 -5.801 -11.216 1.00 0.00 N ATOM 926 CA ASP A 58 -4.749 -5.240 -9.951 1.00 0.00 C ATOM 927 C ASP A 58 -4.590 -6.291 -8.868 1.00 0.00 C ATOM 928 O ASP A 58 -5.195 -6.220 -7.817 1.00 0.00 O ATOM 929 CB ASP A 58 -6.221 -4.874 -10.108 1.00 0.00 C ATOM 930 CG ASP A 58 -6.593 -3.800 -9.084 1.00 0.00 C ATOM 931 OD1 ASP A 58 -5.843 -3.630 -8.136 1.00 0.00 O ATOM 932 OD2 ASP A 58 -7.620 -3.168 -9.263 1.00 0.00 O ATOM 0 H ASP A 58 -3.177 -5.736 -11.289 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.213 -4.328 -9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.410 -4.510 -11.118 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.843 -5.758 -9.966 1.00 0.00 H new ATOM 937 N GLY A 59 -3.775 -7.278 -9.122 1.00 0.00 N ATOM 938 CA GLY A 59 -3.576 -8.342 -8.113 1.00 0.00 C ATOM 939 C GLY A 59 -2.361 -8.020 -7.239 1.00 0.00 C ATOM 940 O GLY A 59 -2.291 -8.425 -6.096 1.00 0.00 O ATOM 0 H GLY A 59 -3.242 -7.389 -9.984 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.466 -8.435 -7.491 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.432 -9.302 -8.609 1.00 0.00 H new ATOM 944 N GLU A 60 -1.397 -7.301 -7.757 1.00 0.00 N ATOM 945 CA GLU A 60 -0.202 -6.978 -6.930 1.00 0.00 C ATOM 946 C GLU A 60 0.553 -5.787 -7.518 1.00 0.00 C ATOM 947 O GLU A 60 0.580 -5.577 -8.714 1.00 0.00 O ATOM 948 CB GLU A 60 0.725 -8.191 -6.893 1.00 0.00 C ATOM 949 CG GLU A 60 2.074 -7.800 -6.288 1.00 0.00 C ATOM 950 CD GLU A 60 3.064 -8.955 -6.454 1.00 0.00 C ATOM 951 OE1 GLU A 60 3.036 -9.856 -5.632 1.00 0.00 O ATOM 952 OE2 GLU A 60 3.830 -8.920 -7.403 1.00 0.00 O ATOM 0 H GLU A 60 -1.388 -6.929 -8.707 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.530 -6.723 -5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.271 -8.988 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.868 -8.580 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.458 -6.905 -6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.954 -7.559 -5.232 1.00 0.00 H new ATOM 959 N VAL A 61 1.199 -5.035 -6.675 1.00 0.00 N ATOM 960 CA VAL A 61 2.000 -3.880 -7.149 1.00 0.00 C ATOM 961 C VAL A 61 3.466 -4.224 -6.884 1.00 0.00 C ATOM 962 O VAL A 61 3.821 -5.376 -6.741 1.00 0.00 O ATOM 963 CB VAL A 61 1.609 -2.605 -6.377 1.00 0.00 C ATOM 964 CG1 VAL A 61 0.547 -1.829 -7.156 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.054 -2.980 -5.002 1.00 0.00 C ATOM 0 H VAL A 61 1.205 -5.175 -5.665 1.00 0.00 H new ATOM 0 HA VAL A 61 1.824 -3.692 -8.208 1.00 0.00 H new ATOM 0 HB VAL A 61 2.495 -1.982 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.276 -0.929 -6.604 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.943 -1.550 -8.132 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.336 -2.454 -7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.779 -2.074 -4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.173 -3.610 -5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.813 -3.523 -4.439 1.00 0.00 H new ATOM 975 N SER A 62 4.319 -3.255 -6.803 1.00 0.00 N ATOM 976 CA SER A 62 5.744 -3.557 -6.530 1.00 0.00 C ATOM 977 C SER A 62 6.328 -2.401 -5.719 1.00 0.00 C ATOM 978 O SER A 62 5.703 -1.378 -5.559 1.00 0.00 O ATOM 979 CB SER A 62 6.490 -3.716 -7.859 1.00 0.00 C ATOM 980 OG SER A 62 6.347 -2.523 -8.625 1.00 0.00 O ATOM 0 H SER A 62 4.094 -2.266 -6.914 1.00 0.00 H new ATOM 0 HA SER A 62 5.844 -4.484 -5.966 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.545 -3.919 -7.675 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.093 -4.567 -8.412 1.00 0.00 H new ATOM 0 HG SER A 62 5.775 -2.699 -9.401 1.00 0.00 H new ATOM 986 N PHE A 63 7.511 -2.550 -5.205 1.00 0.00 N ATOM 987 CA PHE A 63 8.123 -1.453 -4.406 1.00 0.00 C ATOM 988 C PHE A 63 8.386 -0.252 -5.325 1.00 0.00 C ATOM 989 O PHE A 63 8.750 0.815 -4.877 1.00 0.00 O ATOM 990 CB PHE A 63 9.444 -1.964 -3.829 1.00 0.00 C ATOM 991 CG PHE A 63 9.860 -1.193 -2.589 1.00 0.00 C ATOM 992 CD1 PHE A 63 9.003 -1.093 -1.481 1.00 0.00 C ATOM 993 CD2 PHE A 63 11.130 -0.605 -2.539 1.00 0.00 C ATOM 994 CE1 PHE A 63 9.419 -0.406 -0.332 1.00 0.00 C ATOM 995 CE2 PHE A 63 11.542 0.086 -1.392 1.00 0.00 C ATOM 996 CZ PHE A 63 10.688 0.184 -0.287 1.00 0.00 C ATOM 0 H PHE A 63 8.086 -3.387 -5.303 1.00 0.00 H new ATOM 0 HA PHE A 63 7.458 -1.146 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 63 9.347 -3.021 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 63 10.225 -1.883 -4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.023 -1.546 -1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.794 -0.684 -3.387 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.759 -0.332 0.520 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.520 0.544 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 63 11.007 0.714 0.598 1.00 0.00 H new ATOM 1006 N GLU A 64 8.206 -0.422 -6.612 1.00 0.00 N ATOM 1007 CA GLU A 64 8.443 0.702 -7.566 1.00 0.00 C ATOM 1008 C GLU A 64 7.225 1.634 -7.579 1.00 0.00 C ATOM 1009 O GLU A 64 7.357 2.842 -7.588 1.00 0.00 O ATOM 1010 CB GLU A 64 8.669 0.141 -8.972 1.00 0.00 C ATOM 1011 CG GLU A 64 9.533 1.114 -9.775 1.00 0.00 C ATOM 1012 CD GLU A 64 9.697 0.590 -11.201 1.00 0.00 C ATOM 1013 OE1 GLU A 64 9.005 -0.352 -11.549 1.00 0.00 O ATOM 1014 OE2 GLU A 64 10.514 1.140 -11.923 1.00 0.00 O ATOM 0 H GLU A 64 7.904 -1.296 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 64 9.324 1.262 -7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.157 -0.832 -8.913 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.713 -0.012 -9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.071 2.101 -9.790 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.509 1.226 -9.303 1.00 0.00 H new ATOM 1021 N GLU A 65 6.041 1.082 -7.565 1.00 0.00 N ATOM 1022 CA GLU A 65 4.813 1.938 -7.562 1.00 0.00 C ATOM 1023 C GLU A 65 4.508 2.300 -6.111 1.00 0.00 C ATOM 1024 O GLU A 65 3.935 3.324 -5.804 1.00 0.00 O ATOM 1025 CB GLU A 65 3.617 1.175 -8.158 1.00 0.00 C ATOM 1026 CG GLU A 65 4.091 -0.069 -8.920 1.00 0.00 C ATOM 1027 CD GLU A 65 5.153 0.327 -9.948 1.00 0.00 C ATOM 1028 OE1 GLU A 65 5.301 1.513 -10.191 1.00 0.00 O ATOM 1029 OE2 GLU A 65 5.802 -0.563 -10.475 1.00 0.00 O ATOM 0 H GLU A 65 5.868 0.077 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 65 4.981 2.830 -8.165 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.934 0.881 -7.361 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.061 1.829 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.501 -0.800 -8.223 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.247 -0.544 -9.420 1.00 0.00 H new ATOM 1036 N PHE A 66 4.923 1.443 -5.227 1.00 0.00 N ATOM 1037 CA PHE A 66 4.726 1.643 -3.762 1.00 0.00 C ATOM 1038 C PHE A 66 5.605 2.799 -3.247 1.00 0.00 C ATOM 1039 O PHE A 66 5.703 3.030 -2.058 1.00 0.00 O ATOM 1040 CB PHE A 66 5.167 0.345 -3.088 1.00 0.00 C ATOM 1041 CG PHE A 66 4.685 0.278 -1.667 1.00 0.00 C ATOM 1042 CD1 PHE A 66 3.317 0.218 -1.395 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.610 0.274 -0.618 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.865 0.159 -0.076 1.00 0.00 C ATOM 1045 CE2 PHE A 66 5.162 0.211 0.698 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.787 0.156 0.973 1.00 0.00 C ATOM 0 H PHE A 66 5.409 0.579 -5.466 1.00 0.00 H new ATOM 0 HA PHE A 66 3.686 1.888 -3.545 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.780 -0.507 -3.646 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.254 0.273 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.606 0.217 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.668 0.320 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.806 0.116 0.133 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.874 0.204 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.442 0.111 1.995 1.00 0.00 H new ATOM 1056 N GLN A 67 6.252 3.515 -4.129 1.00 0.00 N ATOM 1057 CA GLN A 67 7.133 4.641 -3.689 1.00 0.00 C ATOM 1058 C GLN A 67 6.312 5.890 -3.457 1.00 0.00 C ATOM 1059 O GLN A 67 6.430 6.560 -2.452 1.00 0.00 O ATOM 1060 CB GLN A 67 8.191 4.947 -4.751 1.00 0.00 C ATOM 1061 CG GLN A 67 9.024 3.699 -5.020 1.00 0.00 C ATOM 1062 CD GLN A 67 10.122 3.560 -3.946 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.980 4.415 -3.842 1.00 0.00 O ATOM 1064 NE2 GLN A 67 10.142 2.526 -3.130 1.00 0.00 N ATOM 0 H GLN A 67 6.209 3.369 -5.138 1.00 0.00 H new ATOM 0 HA GLN A 67 7.621 4.338 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.711 5.281 -5.671 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.834 5.760 -4.414 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.385 2.816 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.477 3.759 -6.010 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.428 1.802 -3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.872 2.450 -2.421 1.00 0.00 H new ATOM 1073 N VAL A 68 5.513 6.230 -4.405 1.00 0.00 N ATOM 1074 CA VAL A 68 4.704 7.469 -4.279 1.00 0.00 C ATOM 1075 C VAL A 68 3.863 7.449 -3.006 1.00 0.00 C ATOM 1076 O VAL A 68 3.458 8.481 -2.514 1.00 0.00 O ATOM 1077 CB VAL A 68 3.801 7.616 -5.498 1.00 0.00 C ATOM 1078 CG1 VAL A 68 3.391 9.081 -5.639 1.00 0.00 C ATOM 1079 CG2 VAL A 68 4.564 7.172 -6.749 1.00 0.00 C ATOM 0 H VAL A 68 5.378 5.707 -5.270 1.00 0.00 H new ATOM 0 HA VAL A 68 5.383 8.320 -4.222 1.00 0.00 H new ATOM 0 HB VAL A 68 2.912 6.997 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.744 9.196 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.855 9.396 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.281 9.697 -5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.921 7.276 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.450 7.794 -6.874 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.864 6.130 -6.641 1.00 0.00 H new ATOM 1089 N LEU A 69 3.598 6.301 -2.465 1.00 0.00 N ATOM 1090 CA LEU A 69 2.785 6.243 -1.218 1.00 0.00 C ATOM 1091 C LEU A 69 3.711 6.194 -0.018 1.00 0.00 C ATOM 1092 O LEU A 69 3.466 6.807 0.996 1.00 0.00 O ATOM 1093 CB LEU A 69 1.993 4.944 -1.191 1.00 0.00 C ATOM 1094 CG LEU A 69 0.577 5.152 -0.627 1.00 0.00 C ATOM 1095 CD1 LEU A 69 0.167 3.893 0.133 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.538 6.341 0.341 1.00 0.00 C ATOM 0 H LEU A 69 3.906 5.399 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 69 2.131 7.114 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.927 4.537 -2.200 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.522 4.208 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.103 5.352 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.836 4.024 0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.175 3.040 -0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.869 3.715 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.475 6.465 0.724 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.220 6.157 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.841 7.247 -0.183 1.00 0.00 H new ATOM 1108 N VAL A 70 4.763 5.438 -0.114 1.00 0.00 N ATOM 1109 CA VAL A 70 5.680 5.330 1.029 1.00 0.00 C ATOM 1110 C VAL A 70 6.376 6.675 1.209 1.00 0.00 C ATOM 1111 O VAL A 70 6.937 6.971 2.245 1.00 0.00 O ATOM 1112 CB VAL A 70 6.705 4.242 0.772 1.00 0.00 C ATOM 1113 CG1 VAL A 70 6.025 2.873 0.815 1.00 0.00 C ATOM 1114 CG2 VAL A 70 7.355 4.448 -0.591 1.00 0.00 C ATOM 0 H VAL A 70 5.021 4.893 -0.937 1.00 0.00 H new ATOM 0 HA VAL A 70 5.127 5.071 1.932 1.00 0.00 H new ATOM 0 HB VAL A 70 7.473 4.289 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.764 2.094 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.575 2.721 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.250 2.827 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.089 3.662 -0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.591 4.411 -1.368 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.850 5.419 -0.615 1.00 0.00 H new ATOM 1124 N LYS A 71 6.304 7.509 0.205 1.00 0.00 N ATOM 1125 CA LYS A 71 6.906 8.859 0.300 1.00 0.00 C ATOM 1126 C LYS A 71 5.803 9.802 0.766 1.00 0.00 C ATOM 1127 O LYS A 71 5.879 11.005 0.614 1.00 0.00 O ATOM 1128 CB LYS A 71 7.421 9.296 -1.076 1.00 0.00 C ATOM 1129 CG LYS A 71 6.234 9.596 -1.995 1.00 0.00 C ATOM 1130 CD LYS A 71 6.742 10.145 -3.331 1.00 0.00 C ATOM 1131 CE LYS A 71 7.265 11.568 -3.136 1.00 0.00 C ATOM 1132 NZ LYS A 71 7.114 12.332 -4.407 1.00 0.00 N ATOM 0 H LYS A 71 5.847 7.304 -0.684 1.00 0.00 H new ATOM 0 HA LYS A 71 7.746 8.867 0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.050 10.181 -0.976 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.041 8.511 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 71 5.652 8.689 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.570 10.319 -1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.534 9.506 -3.720 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.938 10.140 -4.067 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.715 12.062 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.313 11.544 -2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.470 13.300 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.657 11.864 -5.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.110 12.366 -4.674 1.00 0.00 H new ATOM 1146 N LYS A 72 4.779 9.242 1.353 1.00 0.00 N ATOM 1147 CA LYS A 72 3.658 10.054 1.862 1.00 0.00 C ATOM 1148 C LYS A 72 3.738 10.053 3.384 1.00 0.00 C ATOM 1149 O LYS A 72 2.879 10.578 4.064 1.00 0.00 O ATOM 1150 CB LYS A 72 2.322 9.451 1.421 1.00 0.00 C ATOM 1151 CG LYS A 72 2.116 9.705 -0.074 1.00 0.00 C ATOM 1152 CD LYS A 72 2.363 11.186 -0.381 1.00 0.00 C ATOM 1153 CE LYS A 72 1.494 11.620 -1.564 1.00 0.00 C ATOM 1154 NZ LYS A 72 0.371 12.471 -1.073 1.00 0.00 N ATOM 0 H LYS A 72 4.679 8.238 1.499 1.00 0.00 H new ATOM 0 HA LYS A 72 3.723 11.069 1.470 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.310 8.380 1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.505 9.893 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.797 9.084 -0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.103 9.427 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.131 11.792 0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.416 11.349 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.095 12.173 -2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.101 10.744 -2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.219 12.765 -1.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.207 11.928 -0.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.755 13.313 -0.599 1.00 0.00 H new ATOM 1168 N ILE A 73 4.770 9.450 3.930 1.00 0.00 N ATOM 1169 CA ILE A 73 4.900 9.406 5.407 1.00 0.00 C ATOM 1170 C ILE A 73 5.889 10.416 5.873 1.00 0.00 C ATOM 1171 O ILE A 73 5.682 11.136 6.830 1.00 0.00 O ATOM 1172 CB ILE A 73 5.522 8.097 5.879 1.00 0.00 C ATOM 1173 CG1 ILE A 73 5.348 6.996 4.857 1.00 0.00 C ATOM 1174 CG2 ILE A 73 4.927 7.714 7.210 1.00 0.00 C ATOM 1175 CD1 ILE A 73 3.868 6.657 4.675 1.00 0.00 C ATOM 0 H ILE A 73 5.520 8.991 3.412 1.00 0.00 H new ATOM 0 HA ILE A 73 3.891 9.560 5.789 1.00 0.00 H new ATOM 0 HB ILE A 73 6.596 8.241 5.999 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.775 7.307 3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.893 6.108 5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.370 6.778 7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.131 8.498 7.939 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.849 7.588 7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 73 3.765 5.863 3.936 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.451 6.324 5.626 1.00 0.00 H new ATOM 0 HD13 ILE A 73 3.331 7.542 4.334 1.00 0.00 H new ATOM 1187 N SER A 74 7.031 10.370 5.278 1.00 0.00 N ATOM 1188 CA SER A 74 8.098 11.210 5.774 1.00 0.00 C ATOM 1189 C SER A 74 7.592 12.637 5.999 1.00 0.00 C ATOM 1190 O SER A 74 7.814 13.230 7.036 1.00 0.00 O ATOM 1191 CB SER A 74 9.279 11.207 4.804 1.00 0.00 C ATOM 1192 OG SER A 74 10.166 12.266 5.143 1.00 0.00 O ATOM 0 H SER A 74 7.259 9.786 4.474 1.00 0.00 H new ATOM 0 HA SER A 74 8.438 10.809 6.729 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.801 10.251 4.850 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.924 11.327 3.780 1.00 0.00 H new ATOM 0 HG SER A 74 10.926 12.267 4.524 1.00 0.00 H new ATOM 1198 N GLN A 75 6.909 13.191 5.035 1.00 0.00 N ATOM 1199 CA GLN A 75 6.385 14.576 5.196 1.00 0.00 C ATOM 1200 C GLN A 75 7.550 15.568 5.199 1.00 0.00 C ATOM 1201 O GLN A 75 8.660 15.146 5.476 1.00 0.00 O ATOM 1202 CB GLN A 75 5.628 14.676 6.519 1.00 0.00 C ATOM 1203 CG GLN A 75 4.155 14.975 6.243 1.00 0.00 C ATOM 1204 CD GLN A 75 3.440 15.256 7.564 1.00 0.00 C ATOM 1205 OE1 GLN A 75 2.415 15.909 7.587 1.00 0.00 O ATOM 1206 NE2 GLN A 75 3.938 14.786 8.676 1.00 0.00 N ATOM 1207 OXT GLN A 75 7.310 16.733 4.928 1.00 0.00 O ATOM 0 H GLN A 75 6.692 12.745 4.144 1.00 0.00 H new ATOM 0 HA GLN A 75 5.714 14.811 4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.723 13.744 7.076 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.060 15.462 7.139 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.065 15.834 5.578 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.689 14.129 5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.798 14.238 8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.467 14.967 9.562 1.00 0.00 H new