USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0.901 (180deg=0.901) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 170:sc= 0.048 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.024 K(o=-0.024,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.35 USER MOD Single : A 43 ASN : amide:sc=-0.00998 X(o=-0.01,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -179:sc= 0 (180deg=-1.04e-05) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 70 N TRP A 6 13.667 1.222 0.306 1.00 0.00 N ATOM 71 CA TRP A 6 13.604 1.309 1.761 1.00 0.00 C ATOM 72 C TRP A 6 12.414 2.147 2.211 1.00 0.00 C ATOM 73 O TRP A 6 11.599 1.702 3.019 1.00 0.00 O ATOM 74 CB TRP A 6 14.902 1.898 2.316 1.00 0.00 C ATOM 75 CG TRP A 6 14.894 2.065 3.806 1.00 0.00 C ATOM 76 CD1 TRP A 6 15.173 1.108 4.735 1.00 0.00 C ATOM 77 CD2 TRP A 6 14.592 3.260 4.538 1.00 0.00 C ATOM 78 NE1 TRP A 6 15.063 1.630 6.000 1.00 0.00 N ATOM 79 CE2 TRP A 6 14.709 2.952 5.905 1.00 0.00 C ATOM 80 CE3 TRP A 6 14.235 4.562 4.168 1.00 0.00 C ATOM 81 CZ2 TRP A 6 14.481 3.889 6.900 1.00 0.00 C ATOM 82 CZ3 TRP A 6 14.009 5.503 5.165 1.00 0.00 C ATOM 83 CH2 TRP A 6 14.129 5.176 6.492 1.00 0.00 C ATOM 0 HA TRP A 6 13.476 0.300 2.152 1.00 0.00 H new ATOM 0 HB2 TRP A 6 15.734 1.252 2.035 1.00 0.00 H new ATOM 0 HB3 TRP A 6 15.080 2.867 1.851 1.00 0.00 H new ATOM 0 HD1 TRP A 6 15.442 0.087 4.509 1.00 0.00 H new ATOM 0 HE1 TRP A 6 15.219 1.118 6.869 1.00 0.00 H new ATOM 0 HE3 TRP A 6 14.137 4.830 3.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 14.572 3.634 7.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 13.734 6.511 4.890 1.00 0.00 H new ATOM 0 HH2 TRP A 6 13.946 5.934 7.240 1.00 0.00 H new ATOM 94 N LEU A 7 12.321 3.363 1.685 1.00 0.00 N ATOM 95 CA LEU A 7 11.216 4.257 2.013 1.00 0.00 C ATOM 96 C LEU A 7 9.898 3.732 1.459 1.00 0.00 C ATOM 97 O LEU A 7 8.845 3.898 2.074 1.00 0.00 O ATOM 98 CB LEU A 7 11.497 5.666 1.476 1.00 0.00 C ATOM 99 CG LEU A 7 11.545 5.784 -0.053 1.00 0.00 C ATOM 100 CD1 LEU A 7 10.167 6.146 -0.592 1.00 0.00 C ATOM 101 CD2 LEU A 7 12.572 6.834 -0.451 1.00 0.00 C ATOM 0 H LEU A 7 12.998 3.753 1.029 1.00 0.00 H new ATOM 0 HA LEU A 7 11.129 4.302 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.729 6.341 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 7 12.449 6.009 1.881 1.00 0.00 H new ATOM 0 HG LEU A 7 11.839 4.826 -0.482 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.211 6.228 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.453 5.371 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.850 7.099 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 7 12.605 6.917 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 7 12.293 7.796 -0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 7 13.554 6.542 -0.079 1.00 0.00 H new ATOM 113 N LEU A 8 9.963 3.096 0.294 1.00 0.00 N ATOM 114 CA LEU A 8 8.788 2.478 -0.308 1.00 0.00 C ATOM 115 C LEU A 8 8.266 1.334 0.552 1.00 0.00 C ATOM 116 O LEU A 8 7.057 1.174 0.723 1.00 0.00 O ATOM 117 CB LEU A 8 9.118 1.975 -1.719 1.00 0.00 C ATOM 118 CG LEU A 8 8.054 1.071 -2.356 1.00 0.00 C ATOM 119 CD1 LEU A 8 6.709 1.783 -2.377 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.487 0.690 -3.763 1.00 0.00 C ATOM 0 H LEU A 8 10.818 2.995 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 8 8.005 3.234 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.275 2.837 -2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.061 1.429 -1.682 1.00 0.00 H new ATOM 0 HG LEU A 8 7.948 0.161 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.961 1.133 -2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.409 2.025 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.793 2.701 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.731 0.048 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.604 1.592 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.437 0.157 -3.720 1.00 0.00 H new ATOM 132 N LYS A 9 9.183 0.541 1.095 1.00 0.00 N ATOM 133 CA LYS A 9 8.824 -0.527 2.020 1.00 0.00 C ATOM 134 C LYS A 9 8.018 0.011 3.195 1.00 0.00 C ATOM 135 O LYS A 9 7.060 -0.620 3.643 1.00 0.00 O ATOM 136 CB LYS A 9 10.077 -1.242 2.526 1.00 0.00 C ATOM 137 CG LYS A 9 9.799 -2.418 3.452 1.00 0.00 C ATOM 138 CD LYS A 9 11.067 -3.209 3.738 1.00 0.00 C ATOM 139 CE LYS A 9 11.704 -3.718 2.453 1.00 0.00 C ATOM 140 NZ LYS A 9 13.045 -4.317 2.695 1.00 0.00 N ATOM 0 H LYS A 9 10.183 0.618 0.910 1.00 0.00 H new ATOM 0 HA LYS A 9 8.204 -1.242 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.649 -1.597 1.669 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.704 -0.522 3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.376 -2.054 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.054 -3.072 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.777 -2.580 4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.833 -4.052 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.052 -4.462 1.995 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.797 -2.896 1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.444 -4.651 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.676 -3.601 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.954 -5.118 3.352 1.00 0.00 H new ATOM 154 N GLU A 10 8.409 1.180 3.689 1.00 0.00 N ATOM 155 CA GLU A 10 7.671 1.846 4.756 1.00 0.00 C ATOM 156 C GLU A 10 6.355 2.415 4.243 1.00 0.00 C ATOM 157 O GLU A 10 5.356 2.438 4.961 1.00 0.00 O ATOM 158 CB GLU A 10 8.518 2.959 5.378 1.00 0.00 C ATOM 159 CG GLU A 10 9.717 2.465 6.175 1.00 0.00 C ATOM 160 CD GLU A 10 10.542 3.613 6.689 1.00 0.00 C ATOM 161 OE1 GLU A 10 10.260 4.731 6.327 1.00 0.00 O ATOM 162 OE2 GLU A 10 11.379 3.387 7.530 1.00 0.00 O ATOM 0 H GLU A 10 9.234 1.687 3.367 1.00 0.00 H new ATOM 0 HA GLU A 10 7.446 1.102 5.520 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.871 3.617 4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.885 3.559 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.374 1.857 7.012 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.335 1.823 5.547 1.00 0.00 H new ATOM 169 N ALA A 11 6.361 2.874 2.996 1.00 0.00 N ATOM 170 CA ALA A 11 5.144 3.353 2.350 1.00 0.00 C ATOM 171 C ALA A 11 4.120 2.235 2.208 1.00 0.00 C ATOM 172 O ALA A 11 2.922 2.451 2.392 1.00 0.00 O ATOM 173 CB ALA A 11 5.468 3.956 0.992 1.00 0.00 C ATOM 0 H ALA A 11 7.196 2.924 2.412 1.00 0.00 H new ATOM 0 HA ALA A 11 4.708 4.127 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.550 4.309 0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.155 4.793 1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.932 3.199 0.359 1.00 0.00 H new ATOM 179 N LYS A 12 4.598 1.039 1.878 1.00 0.00 N ATOM 180 CA LYS A 12 3.724 -0.115 1.711 1.00 0.00 C ATOM 181 C LYS A 12 3.072 -0.509 3.031 1.00 0.00 C ATOM 182 O LYS A 12 1.888 -0.844 3.074 1.00 0.00 O ATOM 183 CB LYS A 12 4.504 -1.299 1.137 1.00 0.00 C ATOM 184 CG LYS A 12 4.953 -1.115 -0.307 1.00 0.00 C ATOM 185 CD LYS A 12 6.100 -2.053 -0.654 1.00 0.00 C ATOM 186 CE LYS A 12 6.439 -1.989 -2.135 1.00 0.00 C ATOM 187 NZ LYS A 12 7.479 -2.985 -2.512 1.00 0.00 N ATOM 0 H LYS A 12 5.587 0.845 1.721 1.00 0.00 H new ATOM 0 HA LYS A 12 2.936 0.163 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.382 -1.476 1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.883 -2.193 1.201 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.114 -1.300 -0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.265 -0.082 -0.464 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.979 -1.789 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.831 -3.074 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.537 -2.166 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.789 -0.987 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.681 -2.908 -3.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.348 -2.801 -1.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.136 -3.943 -2.299 1.00 0.00 H new ATOM 201 N GLU A 13 3.851 -0.467 4.106 1.00 0.00 N ATOM 202 CA GLU A 13 3.341 -0.778 5.435 1.00 0.00 C ATOM 203 C GLU A 13 2.330 0.264 5.896 1.00 0.00 C ATOM 204 O GLU A 13 1.272 -0.074 6.426 1.00 0.00 O ATOM 205 CB GLU A 13 4.489 -0.877 6.440 1.00 0.00 C ATOM 206 CG GLU A 13 5.382 -2.096 6.258 1.00 0.00 C ATOM 207 CD GLU A 13 6.582 -2.035 7.162 1.00 0.00 C ATOM 208 OE1 GLU A 13 6.742 -1.049 7.840 1.00 0.00 O ATOM 209 OE2 GLU A 13 7.279 -3.019 7.258 1.00 0.00 O ATOM 0 H GLU A 13 4.840 -0.220 4.082 1.00 0.00 H new ATOM 0 HA GLU A 13 2.835 -1.742 5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.101 0.021 6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.073 -0.894 7.447 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.812 -3.001 6.467 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.709 -2.158 5.220 1.00 0.00 H new ATOM 216 N LYS A 14 2.663 1.534 5.691 1.00 0.00 N ATOM 217 CA LYS A 14 1.809 2.630 6.130 1.00 0.00 C ATOM 218 C LYS A 14 0.494 2.647 5.361 1.00 0.00 C ATOM 219 O LYS A 14 -0.549 3.014 5.904 1.00 0.00 O ATOM 220 CB LYS A 14 2.529 3.970 5.967 1.00 0.00 C ATOM 221 CG LYS A 14 3.593 4.245 7.022 1.00 0.00 C ATOM 222 CD LYS A 14 4.120 5.668 6.920 1.00 0.00 C ATOM 223 CE LYS A 14 2.990 6.684 6.990 1.00 0.00 C ATOM 224 NZ LYS A 14 2.483 6.858 8.378 1.00 0.00 N ATOM 0 H LYS A 14 3.520 1.829 5.223 1.00 0.00 H new ATOM 0 HA LYS A 14 1.585 2.474 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.995 4.001 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.791 4.771 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.174 4.081 8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.416 3.541 6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.829 5.854 7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.664 5.790 5.983 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.341 7.643 6.609 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.173 6.363 6.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.714 7.558 8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.125 5.949 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.255 7.189 8.991 1.00 0.00 H new ATOM 238 N ALA A 15 0.549 2.247 4.096 1.00 0.00 N ATOM 239 CA ALA A 15 -0.616 2.309 3.222 1.00 0.00 C ATOM 240 C ALA A 15 -1.710 1.361 3.695 1.00 0.00 C ATOM 241 O ALA A 15 -2.886 1.723 3.734 1.00 0.00 O ATOM 242 CB ALA A 15 -0.219 1.993 1.787 1.00 0.00 C ATOM 0 H ALA A 15 1.389 1.876 3.652 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.013 3.323 3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.099 2.043 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.520 2.718 1.446 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.207 0.991 1.740 1.00 0.00 H new ATOM 248 N ILE A 16 -1.317 0.142 4.054 1.00 0.00 N ATOM 249 CA ILE A 16 -2.269 -0.875 4.482 1.00 0.00 C ATOM 250 C ILE A 16 -2.745 -0.618 5.906 1.00 0.00 C ATOM 251 O ILE A 16 -3.888 -0.916 6.252 1.00 0.00 O ATOM 252 CB ILE A 16 -1.661 -2.287 4.401 1.00 0.00 C ATOM 253 CG1 ILE A 16 -1.165 -2.574 2.982 1.00 0.00 C ATOM 254 CG2 ILE A 16 -2.680 -3.331 4.833 1.00 0.00 C ATOM 255 CD1 ILE A 16 -2.101 -2.092 1.898 1.00 0.00 C ATOM 0 H ILE A 16 -0.344 -0.164 4.057 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.119 -0.817 3.802 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.810 -2.337 5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.192 -2.102 2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.017 -3.648 2.870 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.233 -4.323 4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.987 -3.136 5.861 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.550 -3.282 4.179 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.681 -2.332 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.068 -2.583 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.231 -1.013 1.982 1.00 0.00 H new ATOM 267 N GLU A 17 -1.862 -0.062 6.729 1.00 0.00 N ATOM 268 CA GLU A 17 -2.191 0.237 8.118 1.00 0.00 C ATOM 269 C GLU A 17 -3.474 1.052 8.216 1.00 0.00 C ATOM 270 O GLU A 17 -4.302 0.820 9.096 1.00 0.00 O ATOM 271 CB GLU A 17 -1.039 0.988 8.791 1.00 0.00 C ATOM 272 CG GLU A 17 -1.272 1.308 10.261 1.00 0.00 C ATOM 273 CD GLU A 17 -0.061 1.948 10.879 1.00 0.00 C ATOM 274 OE1 GLU A 17 0.925 2.092 10.197 1.00 0.00 O ATOM 275 OE2 GLU A 17 -0.156 2.396 11.997 1.00 0.00 O ATOM 0 H GLU A 17 -0.912 0.191 6.458 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.348 -0.710 8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.131 0.392 8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.864 1.919 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.128 1.975 10.359 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.517 0.393 10.800 1.00 0.00 H new ATOM 282 N GLU A 18 -3.634 2.007 7.306 1.00 0.00 N ATOM 283 CA GLU A 18 -4.854 2.800 7.235 1.00 0.00 C ATOM 284 C GLU A 18 -6.037 1.953 6.782 1.00 0.00 C ATOM 285 O GLU A 18 -7.155 2.119 7.269 1.00 0.00 O ATOM 286 CB GLU A 18 -4.667 3.989 6.289 1.00 0.00 C ATOM 287 CG GLU A 18 -3.639 5.009 6.758 1.00 0.00 C ATOM 288 CD GLU A 18 -4.007 5.580 8.099 1.00 0.00 C ATOM 289 OE1 GLU A 18 -5.108 6.056 8.238 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.232 5.439 9.015 1.00 0.00 O ATOM 0 H GLU A 18 -2.932 2.250 6.607 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.066 3.174 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.369 3.615 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.626 4.490 6.161 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.658 4.538 6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.562 5.814 6.027 1.00 0.00 H new ATOM 297 N LEU A 19 -5.782 1.044 5.847 1.00 0.00 N ATOM 298 CA LEU A 19 -6.814 0.134 5.363 1.00 0.00 C ATOM 299 C LEU A 19 -7.281 -0.807 6.466 1.00 0.00 C ATOM 300 O LEU A 19 -8.453 -1.181 6.521 1.00 0.00 O ATOM 301 CB LEU A 19 -6.292 -0.668 4.163 1.00 0.00 C ATOM 302 CG LEU A 19 -6.534 -0.023 2.792 1.00 0.00 C ATOM 303 CD1 LEU A 19 -6.292 1.478 2.871 1.00 0.00 C ATOM 304 CD2 LEU A 19 -5.619 -0.664 1.760 1.00 0.00 C ATOM 0 H LEU A 19 -4.869 0.918 5.409 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.670 0.730 5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.221 -0.825 4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.761 -1.652 4.172 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.569 -0.185 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.466 1.927 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.973 1.919 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.263 1.665 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.791 -0.206 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.580 -0.515 2.053 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.829 -1.732 1.701 1.00 0.00 H new ATOM 316 N LYS A 20 -6.358 -1.187 7.342 1.00 0.00 N ATOM 317 CA LYS A 20 -6.702 -1.957 8.532 1.00 0.00 C ATOM 318 C LYS A 20 -7.621 -1.165 9.454 1.00 0.00 C ATOM 319 O LYS A 20 -8.547 -1.716 10.047 1.00 0.00 O ATOM 320 CB LYS A 20 -5.437 -2.377 9.283 1.00 0.00 C ATOM 321 CG LYS A 20 -4.538 -3.336 8.514 1.00 0.00 C ATOM 322 CD LYS A 20 -3.384 -3.823 9.376 1.00 0.00 C ATOM 323 CE LYS A 20 -2.448 -4.728 8.588 1.00 0.00 C ATOM 324 NZ LYS A 20 -1.290 -5.179 9.408 1.00 0.00 N ATOM 0 H LYS A 20 -5.365 -0.974 7.251 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.234 -2.852 8.208 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.865 -1.484 9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.726 -2.845 10.224 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.123 -4.189 8.170 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.147 -2.839 7.626 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.828 -2.968 9.760 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.774 -4.363 10.239 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.000 -5.597 8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.085 -4.197 7.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.677 -5.793 8.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.748 -4.351 9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.635 -5.708 10.234 1.00 0.00 H new ATOM 338 N LYS A 21 -7.356 0.132 9.572 1.00 0.00 N ATOM 339 CA LYS A 21 -8.240 1.031 10.304 1.00 0.00 C ATOM 340 C LYS A 21 -9.595 1.151 9.619 1.00 0.00 C ATOM 341 O LYS A 21 -10.613 1.385 10.270 1.00 0.00 O ATOM 342 CB LYS A 21 -7.599 2.413 10.449 1.00 0.00 C ATOM 343 CG LYS A 21 -6.387 2.451 11.368 1.00 0.00 C ATOM 344 CD LYS A 21 -5.738 3.827 11.371 1.00 0.00 C ATOM 345 CE LYS A 21 -4.384 3.800 12.066 1.00 0.00 C ATOM 346 NZ LYS A 21 -3.637 5.074 11.880 1.00 0.00 N ATOM 0 H LYS A 21 -6.535 0.584 9.169 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.397 0.608 11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.302 2.768 9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.348 3.109 10.826 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.688 2.187 12.382 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.661 1.705 11.046 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.616 4.176 10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.393 4.539 11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.527 3.615 13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.792 2.972 11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.721 5.014 12.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.478 5.238 10.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.189 5.861 12.276 1.00 0.00 H new ATOM 360 N ALA A 22 -9.601 0.988 8.300 1.00 0.00 N ATOM 361 CA ALA A 22 -10.820 1.144 7.515 1.00 0.00 C ATOM 362 C ALA A 22 -11.662 -0.125 7.548 1.00 0.00 C ATOM 363 O ALA A 22 -12.798 -0.140 7.072 1.00 0.00 O ATOM 364 CB ALA A 22 -10.482 1.522 6.081 1.00 0.00 C ATOM 0 H ALA A 22 -8.775 0.748 7.752 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.407 1.947 7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.402 1.635 5.508 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.932 2.463 6.073 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.869 0.740 5.633 1.00 0.00 H new ATOM 370 N GLY A 23 -11.100 -1.188 8.113 1.00 0.00 N ATOM 371 CA GLY A 23 -11.819 -2.448 8.260 1.00 0.00 C ATOM 372 C GLY A 23 -11.624 -3.339 7.040 1.00 0.00 C ATOM 373 O GLY A 23 -12.458 -4.194 6.744 1.00 0.00 O ATOM 0 H GLY A 23 -10.147 -1.202 8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.469 -2.967 9.152 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.881 -2.249 8.402 1.00 0.00 H new ATOM 377 N ILE A 24 -10.517 -3.134 6.335 1.00 0.00 N ATOM 378 CA ILE A 24 -10.211 -3.917 5.144 1.00 0.00 C ATOM 379 C ILE A 24 -9.407 -5.163 5.496 1.00 0.00 C ATOM 380 O ILE A 24 -8.405 -5.086 6.206 1.00 0.00 O ATOM 381 CB ILE A 24 -9.430 -3.089 4.108 1.00 0.00 C ATOM 382 CG1 ILE A 24 -10.203 -1.817 3.749 1.00 0.00 C ATOM 383 CG2 ILE A 24 -9.154 -3.917 2.863 1.00 0.00 C ATOM 384 CD1 ILE A 24 -11.548 -2.079 3.113 1.00 0.00 C ATOM 0 H ILE A 24 -9.816 -2.431 6.568 1.00 0.00 H new ATOM 0 HA ILE A 24 -11.166 -4.215 4.710 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.474 -2.799 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.348 -1.224 4.652 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.600 -1.217 3.067 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.601 -3.316 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.565 -4.794 3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.098 -4.236 2.422 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.035 -1.130 2.888 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -11.411 -2.644 2.191 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.170 -2.652 3.801 1.00 0.00 H new ATOM 396 N THR A 25 -9.852 -6.309 4.993 1.00 0.00 N ATOM 397 CA THR A 25 -9.216 -7.582 5.311 1.00 0.00 C ATOM 398 C THR A 25 -8.756 -8.299 4.047 1.00 0.00 C ATOM 399 O THR A 25 -8.251 -9.419 4.107 1.00 0.00 O ATOM 400 CB THR A 25 -10.165 -8.507 6.096 1.00 0.00 C ATOM 401 OG1 THR A 25 -11.345 -8.757 5.320 1.00 0.00 O ATOM 402 CG2 THR A 25 -10.560 -7.868 7.418 1.00 0.00 C ATOM 0 H THR A 25 -10.651 -6.383 4.363 1.00 0.00 H new ATOM 0 HA THR A 25 -8.350 -7.354 5.932 1.00 0.00 H new ATOM 0 HB THR A 25 -9.648 -9.445 6.297 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.947 -9.347 5.820 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.231 -8.536 7.959 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.667 -7.688 8.016 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.066 -6.922 7.228 1.00 0.00 H new ATOM 410 N SER A 26 -8.934 -7.644 2.905 1.00 0.00 N ATOM 411 CA SER A 26 -8.596 -8.243 1.619 1.00 0.00 C ATOM 412 C SER A 26 -7.090 -8.240 1.389 1.00 0.00 C ATOM 413 O SER A 26 -6.496 -7.197 1.117 1.00 0.00 O ATOM 414 CB SER A 26 -9.303 -7.507 0.498 1.00 0.00 C ATOM 415 OG SER A 26 -8.929 -7.984 -0.764 1.00 0.00 O ATOM 0 H SER A 26 -9.310 -6.698 2.844 1.00 0.00 H new ATOM 0 HA SER A 26 -8.931 -9.280 1.629 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.381 -7.612 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.077 -6.443 0.564 1.00 0.00 H new ATOM 0 HG SER A 26 -9.519 -7.601 -1.447 1.00 0.00 H new ATOM 421 N ASP A 27 -6.478 -9.414 1.498 1.00 0.00 N ATOM 422 CA ASP A 27 -5.050 -9.561 1.241 1.00 0.00 C ATOM 423 C ASP A 27 -4.748 -9.490 -0.251 1.00 0.00 C ATOM 424 O ASP A 27 -3.615 -9.228 -0.653 1.00 0.00 O ATOM 425 CB ASP A 27 -4.533 -10.879 1.820 1.00 0.00 C ATOM 426 CG ASP A 27 -4.444 -10.906 3.340 1.00 0.00 C ATOM 427 OD1 ASP A 27 -4.542 -9.863 3.941 1.00 0.00 O ATOM 428 OD2 ASP A 27 -4.440 -11.979 3.895 1.00 0.00 O ATOM 0 H ASP A 27 -6.949 -10.279 1.763 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.537 -8.734 1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.187 -11.687 1.492 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.545 -11.081 1.407 1.00 0.00 H new ATOM 433 N TYR A 28 -5.770 -9.725 -1.067 1.00 0.00 N ATOM 434 CA TYR A 28 -5.631 -9.630 -2.515 1.00 0.00 C ATOM 435 C TYR A 28 -5.089 -8.268 -2.928 1.00 0.00 C ATOM 436 O TYR A 28 -4.065 -8.176 -3.607 1.00 0.00 O ATOM 437 CB TYR A 28 -6.975 -9.889 -3.200 1.00 0.00 C ATOM 438 CG TYR A 28 -6.941 -9.711 -4.702 1.00 0.00 C ATOM 439 CD1 TYR A 28 -6.442 -10.709 -5.527 1.00 0.00 C ATOM 440 CD2 TYR A 28 -7.412 -8.548 -5.290 1.00 0.00 C ATOM 441 CE1 TYR A 28 -6.407 -10.552 -6.899 1.00 0.00 C ATOM 442 CE2 TYR A 28 -7.385 -8.380 -6.662 1.00 0.00 C ATOM 443 CZ TYR A 28 -6.882 -9.384 -7.462 1.00 0.00 C ATOM 444 OH TYR A 28 -6.853 -9.223 -8.828 1.00 0.00 O ATOM 0 H TYR A 28 -6.704 -9.983 -0.750 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.918 -10.392 -2.832 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.299 -10.904 -2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.722 -9.214 -2.781 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.074 -11.625 -5.089 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.807 -7.760 -4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.011 -11.337 -7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.756 -7.467 -7.105 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.224 -8.347 -9.062 1.00 0.00 H new ATOM 454 N TYR A 29 -5.779 -7.211 -2.514 1.00 0.00 N ATOM 455 CA TYR A 29 -5.387 -5.853 -2.869 1.00 0.00 C ATOM 456 C TYR A 29 -4.135 -5.425 -2.113 1.00 0.00 C ATOM 457 O TYR A 29 -3.370 -4.585 -2.585 1.00 0.00 O ATOM 458 CB TYR A 29 -6.530 -4.874 -2.588 1.00 0.00 C ATOM 459 CG TYR A 29 -7.740 -5.076 -3.471 1.00 0.00 C ATOM 460 CD1 TYR A 29 -7.682 -4.805 -4.830 1.00 0.00 C ATOM 461 CD2 TYR A 29 -8.939 -5.535 -2.945 1.00 0.00 C ATOM 462 CE1 TYR A 29 -8.784 -4.986 -5.643 1.00 0.00 C ATOM 463 CE2 TYR A 29 -10.047 -5.721 -3.747 1.00 0.00 C ATOM 464 CZ TYR A 29 -9.966 -5.444 -5.098 1.00 0.00 C ATOM 465 OH TYR A 29 -11.067 -5.627 -5.902 1.00 0.00 O ATOM 0 H TYR A 29 -6.614 -7.269 -1.931 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.163 -5.840 -3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.832 -4.973 -1.546 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.163 -3.856 -2.718 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.759 -4.446 -5.260 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.007 -5.751 -1.889 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.721 -4.770 -6.699 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.972 -6.081 -3.321 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.816 -5.955 -5.362 1.00 0.00 H new ATOM 475 N PHE A 30 -3.933 -6.009 -0.937 1.00 0.00 N ATOM 476 CA PHE A 30 -2.717 -5.776 -0.165 1.00 0.00 C ATOM 477 C PHE A 30 -1.488 -6.288 -0.906 1.00 0.00 C ATOM 478 O PHE A 30 -0.384 -5.776 -0.721 1.00 0.00 O ATOM 479 CB PHE A 30 -2.820 -6.443 1.208 1.00 0.00 C ATOM 480 CG PHE A 30 -3.878 -5.847 2.093 1.00 0.00 C ATOM 481 CD1 PHE A 30 -4.704 -4.836 1.628 1.00 0.00 C ATOM 482 CD2 PHE A 30 -4.048 -6.299 3.393 1.00 0.00 C ATOM 483 CE1 PHE A 30 -5.677 -4.287 2.440 1.00 0.00 C ATOM 484 CE2 PHE A 30 -5.022 -5.751 4.209 1.00 0.00 C ATOM 485 CZ PHE A 30 -5.835 -4.745 3.733 1.00 0.00 C ATOM 0 H PHE A 30 -4.596 -6.648 -0.497 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.608 -4.700 -0.029 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.029 -7.504 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.855 -6.370 1.710 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.585 -4.473 0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.414 -7.087 3.772 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.314 -3.500 2.064 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.145 -6.112 5.219 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.594 -4.316 4.370 1.00 0.00 H new ATOM 495 N ASP A 31 -1.687 -7.299 -1.743 1.00 0.00 N ATOM 496 CA ASP A 31 -0.620 -7.808 -2.596 1.00 0.00 C ATOM 497 C ASP A 31 -0.229 -6.786 -3.656 1.00 0.00 C ATOM 498 O ASP A 31 0.941 -6.680 -4.027 1.00 0.00 O ATOM 499 CB ASP A 31 -1.045 -9.120 -3.263 1.00 0.00 C ATOM 500 CG ASP A 31 0.076 -9.845 -3.995 1.00 0.00 C ATOM 501 OD1 ASP A 31 1.036 -10.208 -3.359 1.00 0.00 O ATOM 502 OD2 ASP A 31 -0.105 -10.168 -5.145 1.00 0.00 O ATOM 0 H ASP A 31 -2.578 -7.783 -1.849 1.00 0.00 H new ATOM 0 HA ASP A 31 0.249 -7.997 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.455 -9.784 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.848 -8.911 -3.970 1.00 0.00 H new ATOM 507 N LEU A 32 -1.212 -6.036 -4.140 1.00 0.00 N ATOM 508 CA LEU A 32 -1.016 -5.165 -5.293 1.00 0.00 C ATOM 509 C LEU A 32 0.003 -4.074 -4.991 1.00 0.00 C ATOM 510 O LEU A 32 0.775 -3.674 -5.862 1.00 0.00 O ATOM 511 CB LEU A 32 -2.351 -4.545 -5.722 1.00 0.00 C ATOM 512 CG LEU A 32 -3.111 -5.317 -6.808 1.00 0.00 C ATOM 513 CD1 LEU A 32 -3.411 -6.731 -6.329 1.00 0.00 C ATOM 514 CD2 LEU A 32 -4.397 -4.580 -7.150 1.00 0.00 C ATOM 0 H LEU A 32 -2.155 -6.013 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.628 -5.770 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.992 -4.459 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.164 -3.533 -6.081 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.496 -5.384 -7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.951 -7.272 -7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.476 -7.247 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.021 -6.688 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.937 -5.129 -7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.019 -4.501 -6.259 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.158 -3.581 -7.515 1.00 0.00 H new ATOM 526 N ILE A 33 0.001 -3.595 -3.751 1.00 0.00 N ATOM 527 CA ILE A 33 0.930 -2.553 -3.330 1.00 0.00 C ATOM 528 C ILE A 33 2.354 -3.087 -3.249 1.00 0.00 C ATOM 529 O ILE A 33 3.318 -2.321 -3.285 1.00 0.00 O ATOM 530 CB ILE A 33 0.535 -1.962 -1.965 1.00 0.00 C ATOM 531 CG1 ILE A 33 0.568 -3.045 -0.884 1.00 0.00 C ATOM 532 CG2 ILE A 33 -0.844 -1.323 -2.042 1.00 0.00 C ATOM 533 CD1 ILE A 33 1.047 -2.549 0.462 1.00 0.00 C ATOM 0 H ILE A 33 -0.635 -3.913 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 33 0.882 -1.766 -4.083 1.00 0.00 H new ATOM 0 HB ILE A 33 1.257 -1.190 -1.699 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.432 -3.464 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.218 -3.855 -1.214 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.108 -0.910 -1.069 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.834 -0.525 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -1.578 -2.076 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.043 -3.373 1.176 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.060 -2.157 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.384 -1.759 0.816 1.00 0.00 H new ATOM 545 N ASN A 34 2.482 -4.405 -3.140 1.00 0.00 N ATOM 546 CA ASN A 34 3.785 -5.056 -3.202 1.00 0.00 C ATOM 547 C ASN A 34 4.296 -5.131 -4.634 1.00 0.00 C ATOM 548 O ASN A 34 5.492 -4.988 -4.885 1.00 0.00 O ATOM 549 CB ASN A 34 3.741 -6.444 -2.587 1.00 0.00 C ATOM 550 CG ASN A 34 3.579 -6.439 -1.092 1.00 0.00 C ATOM 551 OD1 ASN A 34 3.931 -5.469 -0.412 1.00 0.00 O ATOM 552 ND2 ASN A 34 3.123 -7.549 -0.571 1.00 0.00 N ATOM 0 H ASN A 34 1.698 -5.044 -3.008 1.00 0.00 H new ATOM 0 HA ASN A 34 4.477 -4.447 -2.621 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.917 -7.002 -3.031 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.659 -6.974 -2.842 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.045 -7.643 0.442 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.846 -8.321 -1.177 1.00 0.00 H new ATOM 559 N LYS A 35 3.381 -5.356 -5.573 1.00 0.00 N ATOM 560 CA LYS A 35 3.684 -5.199 -6.991 1.00 0.00 C ATOM 561 C LYS A 35 3.954 -3.740 -7.337 1.00 0.00 C ATOM 562 O LYS A 35 4.632 -3.441 -8.321 1.00 0.00 O ATOM 563 CB LYS A 35 2.537 -5.738 -7.846 1.00 0.00 C ATOM 564 CG LYS A 35 2.423 -7.257 -7.858 1.00 0.00 C ATOM 565 CD LYS A 35 1.263 -7.717 -8.727 1.00 0.00 C ATOM 566 CE LYS A 35 1.153 -9.235 -8.748 1.00 0.00 C ATOM 567 NZ LYS A 35 0.014 -9.699 -9.586 1.00 0.00 N ATOM 0 H LYS A 35 2.424 -5.648 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 35 4.585 -5.773 -7.206 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.600 -5.318 -7.482 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.667 -5.387 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.352 -7.691 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.285 -7.622 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.333 -7.288 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.398 -7.346 -9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 35 2.081 -9.661 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.028 -9.604 -7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.026 -10.738 -9.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.875 -9.314 -9.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.145 -9.369 -10.564 1.00 0.00 H new ATOM 581 N ALA A 36 3.422 -2.835 -6.523 1.00 0.00 N ATOM 582 CA ALA A 36 3.549 -1.405 -6.780 1.00 0.00 C ATOM 583 C ALA A 36 4.959 -0.914 -6.479 1.00 0.00 C ATOM 584 O ALA A 36 5.186 -0.215 -5.493 1.00 0.00 O ATOM 585 CB ALA A 36 2.528 -0.628 -5.962 1.00 0.00 C ATOM 0 H ALA A 36 2.898 -3.066 -5.679 1.00 0.00 H new ATOM 0 HA ALA A 36 3.354 -1.234 -7.839 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.635 0.438 -6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.523 -0.950 -6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.694 -0.814 -4.901 1.00 0.00 H new ATOM 591 N LYS A 37 5.905 -1.287 -7.335 1.00 0.00 N ATOM 592 CA LYS A 37 7.304 -0.932 -7.133 1.00 0.00 C ATOM 593 C LYS A 37 7.495 0.580 -7.136 1.00 0.00 C ATOM 594 O LYS A 37 8.593 1.077 -6.886 1.00 0.00 O ATOM 595 CB LYS A 37 8.180 -1.573 -8.209 1.00 0.00 C ATOM 596 CG LYS A 37 9.677 -1.472 -7.945 1.00 0.00 C ATOM 597 CD LYS A 37 10.474 -2.270 -8.966 1.00 0.00 C ATOM 598 CE LYS A 37 11.958 -2.279 -8.627 1.00 0.00 C ATOM 599 NZ LYS A 37 12.740 -3.121 -9.572 1.00 0.00 N ATOM 0 H LYS A 37 5.727 -1.836 -8.176 1.00 0.00 H new ATOM 0 HA LYS A 37 7.606 -1.312 -6.157 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.910 -2.625 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.960 -1.102 -9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.984 -0.427 -7.977 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.897 -1.838 -6.942 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.101 -3.294 -9.002 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.328 -1.843 -9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.341 -1.259 -8.648 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.096 -2.650 -7.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.745 -3.100 -9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.392 -4.100 -9.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.630 -2.752 -10.538 1.00 0.00 H new ATOM 613 N THR A 38 6.418 1.306 -7.420 1.00 0.00 N ATOM 614 CA THR A 38 6.410 2.755 -7.263 1.00 0.00 C ATOM 615 C THR A 38 5.655 3.169 -6.006 1.00 0.00 C ATOM 616 O THR A 38 4.729 2.482 -5.572 1.00 0.00 O ATOM 617 CB THR A 38 5.775 3.453 -8.482 1.00 0.00 C ATOM 618 OG1 THR A 38 4.377 3.145 -8.538 1.00 0.00 O ATOM 619 CG2 THR A 38 6.445 2.991 -9.767 1.00 0.00 C ATOM 0 H THR A 38 5.540 0.914 -7.760 1.00 0.00 H new ATOM 0 HA THR A 38 7.451 3.066 -7.178 1.00 0.00 H new ATOM 0 HB THR A 38 5.912 4.529 -8.379 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.975 3.591 -9.312 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.985 3.493 -10.618 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.507 3.235 -9.732 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.324 1.913 -9.873 1.00 0.00 H new ATOM 627 N VAL A 39 6.056 4.294 -5.424 1.00 0.00 N ATOM 628 CA VAL A 39 5.355 4.854 -4.275 1.00 0.00 C ATOM 629 C VAL A 39 3.967 5.346 -4.661 1.00 0.00 C ATOM 630 O VAL A 39 3.011 5.196 -3.902 1.00 0.00 O ATOM 631 CB VAL A 39 6.144 6.016 -3.642 1.00 0.00 C ATOM 632 CG1 VAL A 39 5.314 6.701 -2.567 1.00 0.00 C ATOM 633 CG2 VAL A 39 7.458 5.514 -3.061 1.00 0.00 C ATOM 0 H VAL A 39 6.864 4.836 -5.730 1.00 0.00 H new ATOM 0 HA VAL A 39 5.261 4.051 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 39 6.368 6.745 -4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.887 7.519 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.399 7.095 -3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.060 5.981 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.002 6.348 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.255 4.766 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.059 5.068 -3.853 1.00 0.00 H new ATOM 643 N GLU A 40 3.864 5.934 -5.848 1.00 0.00 N ATOM 644 CA GLU A 40 2.592 6.454 -6.338 1.00 0.00 C ATOM 645 C GLU A 40 1.580 5.334 -6.537 1.00 0.00 C ATOM 646 O GLU A 40 0.386 5.513 -6.296 1.00 0.00 O ATOM 647 CB GLU A 40 2.795 7.220 -7.647 1.00 0.00 C ATOM 648 CG GLU A 40 3.531 8.544 -7.494 1.00 0.00 C ATOM 649 CD GLU A 40 3.790 9.182 -8.831 1.00 0.00 C ATOM 650 OE1 GLU A 40 3.467 8.581 -9.827 1.00 0.00 O ATOM 651 OE2 GLU A 40 4.207 10.316 -8.853 1.00 0.00 O ATOM 0 H GLU A 40 4.647 6.063 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 40 2.199 7.138 -5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.349 6.588 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.821 7.410 -8.097 1.00 0.00 H new ATOM 0 HG2 GLU A 40 2.943 9.220 -6.874 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.477 8.379 -6.978 1.00 0.00 H new ATOM 658 N GLY A 41 2.064 4.177 -6.979 1.00 0.00 N ATOM 659 CA GLY A 41 1.216 3.002 -7.133 1.00 0.00 C ATOM 660 C GLY A 41 0.605 2.584 -5.802 1.00 0.00 C ATOM 661 O GLY A 41 -0.600 2.355 -5.705 1.00 0.00 O ATOM 0 H GLY A 41 3.040 4.029 -7.237 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.422 3.215 -7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.802 2.179 -7.541 1.00 0.00 H new ATOM 665 N VAL A 42 1.445 2.487 -4.777 1.00 0.00 N ATOM 666 CA VAL A 42 1.005 2.016 -3.469 1.00 0.00 C ATOM 667 C VAL A 42 -0.083 2.916 -2.898 1.00 0.00 C ATOM 668 O VAL A 42 -1.071 2.436 -2.342 1.00 0.00 O ATOM 669 CB VAL A 42 2.176 1.947 -2.471 1.00 0.00 C ATOM 670 CG1 VAL A 42 1.665 1.639 -1.071 1.00 0.00 C ATOM 671 CG2 VAL A 42 3.187 0.898 -2.908 1.00 0.00 C ATOM 0 H VAL A 42 2.435 2.728 -4.827 1.00 0.00 H new ATOM 0 HA VAL A 42 0.604 1.013 -3.614 1.00 0.00 H new ATOM 0 HB VAL A 42 2.671 2.918 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.506 1.594 -0.379 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.976 2.422 -0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.147 0.680 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.008 0.863 -2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.703 -0.077 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.576 1.156 -3.893 1.00 0.00 H new ATOM 681 N ASN A 43 0.105 4.224 -3.036 1.00 0.00 N ATOM 682 CA ASN A 43 -0.875 5.193 -2.559 1.00 0.00 C ATOM 683 C ASN A 43 -2.134 5.173 -3.418 1.00 0.00 C ATOM 684 O ASN A 43 -3.249 5.265 -2.905 1.00 0.00 O ATOM 685 CB ASN A 43 -0.293 6.595 -2.515 1.00 0.00 C ATOM 686 CG ASN A 43 -1.208 7.610 -1.891 1.00 0.00 C ATOM 687 OD1 ASN A 43 -1.559 7.516 -0.709 1.00 0.00 O ATOM 688 ND2 ASN A 43 -1.662 8.535 -2.699 1.00 0.00 N ATOM 0 H ASN A 43 0.928 4.638 -3.475 1.00 0.00 H new ATOM 0 HA ASN A 43 -1.145 4.903 -1.543 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.644 6.573 -1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.053 6.911 -3.530 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.337 9.221 -2.361 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.341 8.570 -3.666 1.00 0.00 H new ATOM 695 N ALA A 44 -1.947 5.052 -4.728 1.00 0.00 N ATOM 696 CA ALA A 44 -3.066 5.036 -5.663 1.00 0.00 C ATOM 697 C ALA A 44 -3.956 3.820 -5.438 1.00 0.00 C ATOM 698 O ALA A 44 -5.182 3.928 -5.435 1.00 0.00 O ATOM 699 CB ALA A 44 -2.560 5.068 -7.097 1.00 0.00 C ATOM 0 H ALA A 44 -1.030 4.964 -5.167 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.667 5.928 -5.484 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.408 5.056 -7.782 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.977 5.975 -7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.932 4.196 -7.281 1.00 0.00 H new ATOM 705 N LEU A 45 -3.331 2.663 -5.249 1.00 0.00 N ATOM 706 CA LEU A 45 -4.064 1.420 -5.044 1.00 0.00 C ATOM 707 C LEU A 45 -4.925 1.489 -3.789 1.00 0.00 C ATOM 708 O LEU A 45 -6.140 1.295 -3.846 1.00 0.00 O ATOM 709 CB LEU A 45 -3.091 0.238 -4.959 1.00 0.00 C ATOM 710 CG LEU A 45 -2.254 -0.010 -6.220 1.00 0.00 C ATOM 711 CD1 LEU A 45 -0.901 -0.599 -5.841 1.00 0.00 C ATOM 712 CD2 LEU A 45 -3.006 -0.945 -7.154 1.00 0.00 C ATOM 0 H LEU A 45 -2.316 2.561 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.726 1.273 -5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.415 0.404 -4.120 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.660 -0.665 -4.736 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.083 0.936 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.314 -0.772 -6.743 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.371 0.096 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.049 -1.544 -5.318 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.411 -1.121 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.190 -1.893 -6.649 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.957 -0.492 -7.434 1.00 0.00 H new ATOM 724 N LYS A 46 -4.290 1.767 -2.656 1.00 0.00 N ATOM 725 CA LYS A 46 -4.997 1.866 -1.385 1.00 0.00 C ATOM 726 C LYS A 46 -6.100 2.915 -1.449 1.00 0.00 C ATOM 727 O LYS A 46 -7.123 2.796 -0.774 1.00 0.00 O ATOM 728 CB LYS A 46 -4.023 2.195 -0.254 1.00 0.00 C ATOM 729 CG LYS A 46 -3.451 3.605 -0.306 1.00 0.00 C ATOM 730 CD LYS A 46 -3.038 4.087 1.077 1.00 0.00 C ATOM 731 CE LYS A 46 -4.232 4.616 1.858 1.00 0.00 C ATOM 732 NZ LYS A 46 -3.815 5.338 3.091 1.00 0.00 N ATOM 0 H LYS A 46 -3.285 1.928 -2.592 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.458 0.899 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.533 2.058 0.700 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.200 1.481 -0.281 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.589 3.625 -0.973 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.193 4.285 -0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.575 3.267 1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.287 4.871 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.812 5.286 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.886 3.786 2.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.659 5.667 3.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.269 4.697 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.226 6.155 2.832 1.00 0.00 H new ATOM 746 N ASP A 47 -5.884 3.944 -2.262 1.00 0.00 N ATOM 747 CA ASP A 47 -6.828 5.050 -2.363 1.00 0.00 C ATOM 748 C ASP A 47 -8.225 4.553 -2.712 1.00 0.00 C ATOM 749 O ASP A 47 -9.214 4.985 -2.121 1.00 0.00 O ATOM 750 CB ASP A 47 -6.355 6.064 -3.407 1.00 0.00 C ATOM 751 CG ASP A 47 -7.145 7.366 -3.423 1.00 0.00 C ATOM 752 OD1 ASP A 47 -7.133 8.057 -2.432 1.00 0.00 O ATOM 753 OD2 ASP A 47 -7.622 7.736 -4.470 1.00 0.00 O ATOM 0 H ASP A 47 -5.063 4.035 -2.860 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.874 5.538 -1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.305 6.293 -3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.414 5.605 -4.394 1.00 0.00 H new ATOM 758 N GLU A 48 -8.299 3.642 -3.677 1.00 0.00 N ATOM 759 CA GLU A 48 -9.568 3.034 -4.061 1.00 0.00 C ATOM 760 C GLU A 48 -10.125 2.167 -2.941 1.00 0.00 C ATOM 761 O GLU A 48 -11.327 2.178 -2.674 1.00 0.00 O ATOM 762 CB GLU A 48 -9.400 2.203 -5.335 1.00 0.00 C ATOM 763 CG GLU A 48 -9.149 3.024 -6.593 1.00 0.00 C ATOM 764 CD GLU A 48 -8.900 2.139 -7.782 1.00 0.00 C ATOM 765 OE1 GLU A 48 -8.860 0.944 -7.611 1.00 0.00 O ATOM 766 OE2 GLU A 48 -8.862 2.646 -8.878 1.00 0.00 O ATOM 0 H GLU A 48 -7.494 3.308 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.278 3.839 -4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.570 1.511 -5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.296 1.600 -5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.008 3.666 -6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.291 3.678 -6.438 1.00 0.00 H new ATOM 773 N ILE A 49 -9.245 1.416 -2.286 1.00 0.00 N ATOM 774 CA ILE A 49 -9.652 0.519 -1.212 1.00 0.00 C ATOM 775 C ILE A 49 -10.066 1.297 0.029 1.00 0.00 C ATOM 776 O ILE A 49 -10.998 0.909 0.735 1.00 0.00 O ATOM 777 CB ILE A 49 -8.526 -0.464 -0.840 1.00 0.00 C ATOM 778 CG1 ILE A 49 -8.171 -1.347 -2.038 1.00 0.00 C ATOM 779 CG2 ILE A 49 -8.938 -1.317 0.351 1.00 0.00 C ATOM 780 CD1 ILE A 49 -9.321 -2.193 -2.537 1.00 0.00 C ATOM 0 H ILE A 49 -8.244 1.412 -2.481 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.507 -0.047 -1.582 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.642 0.110 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.819 -0.714 -2.852 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.344 -2.001 -1.762 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.132 -2.006 0.601 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.143 -0.673 1.206 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.835 -1.884 0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -8.991 -2.791 -3.387 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.660 -2.853 -1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -10.142 -1.546 -2.846 1.00 0.00 H new ATOM 792 N LEU A 50 -9.368 2.396 0.292 1.00 0.00 N ATOM 793 CA LEU A 50 -9.674 3.242 1.439 1.00 0.00 C ATOM 794 C LEU A 50 -11.033 3.913 1.284 1.00 0.00 C ATOM 795 O LEU A 50 -11.768 4.082 2.257 1.00 0.00 O ATOM 796 CB LEU A 50 -8.576 4.297 1.628 1.00 0.00 C ATOM 797 CG LEU A 50 -8.743 5.199 2.858 1.00 0.00 C ATOM 798 CD1 LEU A 50 -8.653 4.369 4.131 1.00 0.00 C ATOM 799 CD2 LEU A 50 -7.674 6.281 2.843 1.00 0.00 C ATOM 0 H LEU A 50 -8.585 2.722 -0.275 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.713 2.608 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.614 3.789 1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.541 4.926 0.738 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.724 5.674 2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.773 5.019 4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.441 3.616 4.131 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.681 3.878 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.793 6.922 3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.687 5.818 2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.775 6.880 1.938 1.00 0.00 H new ATOM 811 N LYS A 51 -11.361 4.294 0.054 1.00 0.00 N ATOM 812 CA LYS A 51 -12.653 4.901 -0.241 1.00 0.00 C ATOM 813 C LYS A 51 -13.748 3.847 -0.341 1.00 0.00 C ATOM 814 O LYS A 51 -14.929 4.148 -0.172 1.00 0.00 O ATOM 815 CB LYS A 51 -12.582 5.710 -1.538 1.00 0.00 C ATOM 816 CG LYS A 51 -11.695 6.945 -1.461 1.00 0.00 C ATOM 817 CD LYS A 51 -11.577 7.627 -2.816 1.00 0.00 C ATOM 818 CE LYS A 51 -10.712 8.875 -2.735 1.00 0.00 C ATOM 819 NZ LYS A 51 -10.531 9.516 -4.066 1.00 0.00 N ATOM 0 H LYS A 51 -10.749 4.193 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.900 5.572 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.216 5.064 -2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -13.590 6.018 -1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.106 7.645 -0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.704 6.662 -1.107 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.149 6.932 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.570 7.893 -3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.168 9.588 -2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.737 8.614 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -9.935 10.363 -3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.072 8.845 -4.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.459 9.789 -4.449 1.00 0.00 H new ATOM 833 N ALA A 52 -13.348 2.610 -0.616 1.00 0.00 N ATOM 834 CA ALA A 52 -14.291 1.502 -0.702 1.00 0.00 C ATOM 835 C ALA A 52 -14.947 1.230 0.646 1.00 0.00 C ATOM 836 O ALA A 52 -15.860 1.915 1.016 1.00 0.00 O ATOM 837 CB ALA A 52 -13.593 0.251 -1.217 1.00 0.00 C ATOM 838 OXT ALA A 52 -14.551 0.332 1.336 1.00 0.00 O ATOM 0 H ALA A 52 -12.376 2.350 -0.783 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.075 1.781 -1.406 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.310 -0.568 -1.276 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.182 0.445 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.786 -0.022 -0.537 1.00 0.00 H new