USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 517 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 43 LYS NZ :NH3+ 153:sc= -0.0676 (180deg=-0.441) USER MOD Set 1.2: A 58 GLN : amide:sc= 0 X(o=-0.068,f=-0.068) USER MOD Set 2.1: A 36 SER OG : rot -160:sc= 0 USER MOD Set 2.2: A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0368) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -115:sc= -1.12 USER MOD Single : A 25 MET CE :methyl 138:sc= -2.72 (180deg=-6.77!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.045 USER MOD Single : A 38 ASN : amide:sc= 0.134 K(o=0.13,f=-2.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -160:sc= -0.123 (180deg=-0.594) USER MOD Single : A 49 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 51 ASN : amide:sc=-0.00168 X(o=-0.0017,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 171:sc=-0.00415 (180deg=-0.0893) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 11.466 -7.978 -6.878 1.00 0.00 N ATOM 89 CA GLU A 7 12.579 -7.929 -7.818 1.00 0.00 C ATOM 90 C GLU A 7 12.970 -6.485 -8.123 1.00 0.00 C ATOM 91 O GLU A 7 12.129 -5.671 -8.506 1.00 0.00 O ATOM 92 CB GLU A 7 12.214 -8.655 -9.114 1.00 0.00 C ATOM 93 CG GLU A 7 13.325 -9.545 -9.646 1.00 0.00 C ATOM 94 CD GLU A 7 13.724 -10.630 -8.665 1.00 0.00 C ATOM 95 OE1 GLU A 7 13.015 -11.655 -8.594 1.00 0.00 O ATOM 96 OE2 GLU A 7 14.746 -10.454 -7.968 1.00 0.00 O ATOM 0 HA GLU A 7 13.432 -8.429 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.325 -9.261 -8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 7 11.956 -7.917 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 7 13.001 -10.006 -10.579 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.196 -8.932 -9.879 1.00 0.00 H new ATOM 103 N LEU A 8 14.250 -6.176 -7.951 1.00 0.00 N ATOM 104 CA LEU A 8 14.753 -4.831 -8.208 1.00 0.00 C ATOM 105 C LEU A 8 16.116 -4.881 -8.892 1.00 0.00 C ATOM 106 O LEU A 8 16.833 -5.876 -8.798 1.00 0.00 O ATOM 107 CB LEU A 8 14.855 -4.045 -6.899 1.00 0.00 C ATOM 108 CG LEU A 8 13.580 -3.337 -6.440 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.497 -3.318 -4.922 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.527 -1.922 -6.997 1.00 0.00 C ATOM 0 H LEU A 8 14.959 -6.838 -7.635 1.00 0.00 H new ATOM 0 HA LEU A 8 14.051 -4.328 -8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.170 -4.729 -6.111 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.642 -3.299 -7.007 1.00 0.00 H new ATOM 0 HG LEU A 8 12.722 -3.889 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.583 -2.810 -4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.488 -4.341 -4.545 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.360 -2.789 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.613 -1.433 -6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.391 -1.359 -6.644 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.539 -1.959 -8.086 1.00 0.00 H new ATOM 122 N VAL A 9 16.467 -3.798 -9.579 1.00 0.00 N ATOM 123 CA VAL A 9 17.745 -3.717 -10.276 1.00 0.00 C ATOM 124 C VAL A 9 18.463 -2.411 -9.956 1.00 0.00 C ATOM 125 O VAL A 9 17.829 -1.374 -9.755 1.00 0.00 O ATOM 126 CB VAL A 9 17.560 -3.828 -11.801 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.804 -5.100 -12.157 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.840 -2.602 -12.341 1.00 0.00 C ATOM 0 H VAL A 9 15.884 -2.965 -9.668 1.00 0.00 H new ATOM 0 HA VAL A 9 18.349 -4.555 -9.929 1.00 0.00 H new ATOM 0 HB VAL A 9 18.545 -3.877 -12.266 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.683 -5.161 -13.239 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.364 -5.967 -11.805 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.823 -5.085 -11.682 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.718 -2.698 -13.420 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.860 -2.519 -11.871 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.425 -1.709 -12.120 1.00 0.00 H new ATOM 138 N LEU A 10 19.789 -2.467 -9.911 1.00 0.00 N ATOM 139 CA LEU A 10 20.596 -1.288 -9.616 1.00 0.00 C ATOM 140 C LEU A 10 21.017 -0.581 -10.901 1.00 0.00 C ATOM 141 O LEU A 10 21.467 -1.218 -11.853 1.00 0.00 O ATOM 142 CB LEU A 10 21.834 -1.682 -8.808 1.00 0.00 C ATOM 143 CG LEU A 10 22.855 -0.571 -8.561 1.00 0.00 C ATOM 144 CD1 LEU A 10 22.185 0.638 -7.927 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.990 -1.076 -7.683 1.00 0.00 C ATOM 0 H LEU A 10 20.329 -3.317 -10.075 1.00 0.00 H new ATOM 0 HA LEU A 10 19.989 -0.601 -9.027 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.506 -2.068 -7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.335 -2.501 -9.325 1.00 0.00 H new ATOM 0 HG LEU A 10 23.273 -0.267 -9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.927 1.418 -7.759 1.00 0.00 H new ATOM 0 HD12 LEU A 10 21.408 1.014 -8.592 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.739 0.349 -6.975 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.707 -0.272 -7.518 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.589 -1.408 -6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.488 -1.911 -8.176 1.00 0.00 H new ATOM 157 N ALA A 11 20.869 0.739 -10.919 1.00 0.00 N ATOM 158 CA ALA A 11 21.237 1.534 -12.084 1.00 0.00 C ATOM 159 C ALA A 11 22.694 1.977 -12.008 1.00 0.00 C ATOM 160 O ALA A 11 23.036 2.893 -11.258 1.00 0.00 O ATOM 161 CB ALA A 11 20.321 2.742 -12.211 1.00 0.00 C ATOM 0 H ALA A 11 20.497 1.281 -10.139 1.00 0.00 H new ATOM 0 HA ALA A 11 21.120 0.910 -12.970 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.608 3.326 -13.085 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.290 2.407 -12.321 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.408 3.360 -11.317 1.00 0.00 H new ATOM 167 N LEU A 12 23.549 1.323 -12.787 1.00 0.00 N ATOM 168 CA LEU A 12 24.970 1.651 -12.807 1.00 0.00 C ATOM 169 C LEU A 12 25.208 3.007 -13.463 1.00 0.00 C ATOM 170 O LEU A 12 25.916 3.855 -12.920 1.00 0.00 O ATOM 171 CB LEU A 12 25.752 0.567 -13.552 1.00 0.00 C ATOM 172 CG LEU A 12 25.455 -0.876 -13.143 1.00 0.00 C ATOM 173 CD1 LEU A 12 26.072 -1.849 -14.135 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.969 -1.148 -11.736 1.00 0.00 C ATOM 0 H LEU A 12 23.283 0.563 -13.413 1.00 0.00 H new ATOM 0 HA LEU A 12 25.321 1.701 -11.776 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.551 0.670 -14.618 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.817 0.752 -13.409 1.00 0.00 H new ATOM 0 HG LEU A 12 24.375 -1.020 -13.148 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.850 -2.871 -13.828 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.657 -1.670 -15.127 1.00 0.00 H new ATOM 0 HD13 LEU A 12 27.152 -1.705 -14.163 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.749 -2.180 -11.461 1.00 0.00 H new ATOM 0 HD22 LEU A 12 27.046 -0.986 -11.705 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.480 -0.473 -11.033 1.00 0.00 H new ATOM 186 N TYR A 13 24.609 3.206 -14.632 1.00 0.00 N ATOM 187 CA TYR A 13 24.756 4.459 -15.362 1.00 0.00 C ATOM 188 C TYR A 13 23.400 5.121 -15.587 1.00 0.00 C ATOM 189 O TYR A 13 22.438 4.469 -15.995 1.00 0.00 O ATOM 190 CB TYR A 13 25.444 4.213 -16.706 1.00 0.00 C ATOM 191 CG TYR A 13 26.794 3.543 -16.581 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.948 4.292 -16.385 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.915 2.161 -16.659 1.00 0.00 C ATOM 194 CE1 TYR A 13 29.183 3.684 -16.271 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.146 1.544 -16.544 1.00 0.00 C ATOM 196 CZ TYR A 13 29.277 2.310 -16.351 1.00 0.00 C ATOM 197 OH TYR A 13 30.505 1.700 -16.237 1.00 0.00 O ATOM 0 H TYR A 13 24.017 2.516 -15.094 1.00 0.00 H new ATOM 0 HA TYR A 13 25.372 5.129 -14.762 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.797 3.595 -17.328 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.567 5.165 -17.222 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.878 5.368 -16.321 1.00 0.00 H new ATOM 0 HD2 TYR A 13 26.032 1.559 -16.812 1.00 0.00 H new ATOM 0 HE1 TYR A 13 30.070 4.281 -16.120 1.00 0.00 H new ATOM 0 HE2 TYR A 13 28.222 0.468 -16.605 1.00 0.00 H new ATOM 0 HH TYR A 13 30.396 0.729 -16.314 1.00 0.00 H new ATOM 207 N ASP A 14 23.331 6.420 -15.317 1.00 0.00 N ATOM 208 CA ASP A 14 22.093 7.172 -15.490 1.00 0.00 C ATOM 209 C ASP A 14 21.531 6.976 -16.894 1.00 0.00 C ATOM 210 O ASP A 14 22.229 6.508 -17.794 1.00 0.00 O ATOM 211 CB ASP A 14 22.335 8.659 -15.226 1.00 0.00 C ATOM 212 CG ASP A 14 22.980 9.359 -16.406 1.00 0.00 C ATOM 213 OD1 ASP A 14 24.114 8.984 -16.769 1.00 0.00 O ATOM 214 OD2 ASP A 14 22.352 10.282 -16.965 1.00 0.00 O ATOM 0 H ASP A 14 24.117 6.974 -14.978 1.00 0.00 H new ATOM 0 HA ASP A 14 21.364 6.797 -14.771 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.386 9.143 -14.994 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.972 8.770 -14.349 1.00 0.00 H new ATOM 219 N TYR A 15 20.265 7.337 -17.074 1.00 0.00 N ATOM 220 CA TYR A 15 19.607 7.198 -18.368 1.00 0.00 C ATOM 221 C TYR A 15 18.702 8.393 -18.650 1.00 0.00 C ATOM 222 O TYR A 15 18.459 9.221 -17.772 1.00 0.00 O ATOM 223 CB TYR A 15 18.791 5.905 -18.412 1.00 0.00 C ATOM 224 CG TYR A 15 18.565 5.380 -19.812 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.637 5.041 -20.630 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.281 5.222 -20.317 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.435 4.562 -21.910 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.070 4.742 -21.595 1.00 0.00 C ATOM 229 CZ TYR A 15 18.150 4.414 -22.388 1.00 0.00 C ATOM 230 OH TYR A 15 17.944 3.936 -23.662 1.00 0.00 O ATOM 0 H TYR A 15 19.674 7.728 -16.340 1.00 0.00 H new ATOM 0 HA TYR A 15 20.378 7.160 -19.137 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.302 5.142 -17.825 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.825 6.078 -17.937 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.645 5.154 -20.258 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.433 5.479 -19.700 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.279 4.305 -22.533 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.065 4.624 -21.971 1.00 0.00 H new ATOM 0 HH TYR A 15 16.982 3.891 -23.843 1.00 0.00 H new ATOM 240 N GLN A 16 18.206 8.474 -19.880 1.00 0.00 N ATOM 241 CA GLN A 16 17.328 9.568 -20.279 1.00 0.00 C ATOM 242 C GLN A 16 16.297 9.094 -21.298 1.00 0.00 C ATOM 243 O GLN A 16 16.579 9.028 -22.494 1.00 0.00 O ATOM 244 CB GLN A 16 18.147 10.721 -20.862 1.00 0.00 C ATOM 245 CG GLN A 16 18.014 12.018 -20.080 1.00 0.00 C ATOM 246 CD GLN A 16 19.251 12.337 -19.264 1.00 0.00 C ATOM 247 OE1 GLN A 16 20.286 12.721 -19.809 1.00 0.00 O ATOM 248 NE2 GLN A 16 19.150 12.179 -17.949 1.00 0.00 N ATOM 0 H GLN A 16 18.397 7.796 -20.617 1.00 0.00 H new ATOM 0 HA GLN A 16 16.800 9.919 -19.392 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.197 10.431 -20.892 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.834 10.894 -21.892 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.819 12.837 -20.772 1.00 0.00 H new ATOM 0 HG3 GLN A 16 17.153 11.950 -19.416 1.00 0.00 H new ATOM 0 HE21 GLN A 16 18.272 11.858 -17.540 1.00 0.00 H new ATOM 0 HE22 GLN A 16 19.950 12.378 -17.348 1.00 0.00 H new ATOM 257 N GLU A 17 15.103 8.766 -20.816 1.00 0.00 N ATOM 258 CA GLU A 17 14.031 8.297 -21.686 1.00 0.00 C ATOM 259 C GLU A 17 13.822 9.255 -22.856 1.00 0.00 C ATOM 260 O GLU A 17 14.029 10.462 -22.730 1.00 0.00 O ATOM 261 CB GLU A 17 12.729 8.149 -20.895 1.00 0.00 C ATOM 262 CG GLU A 17 12.358 9.387 -20.096 1.00 0.00 C ATOM 263 CD GLU A 17 11.854 10.518 -20.973 1.00 0.00 C ATOM 264 OE1 GLU A 17 11.207 10.227 -22.000 1.00 0.00 O ATOM 265 OE2 GLU A 17 12.107 11.692 -20.631 1.00 0.00 O ATOM 0 H GLU A 17 14.853 8.816 -19.828 1.00 0.00 H new ATOM 0 HA GLU A 17 14.319 7.323 -22.082 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.919 7.916 -21.586 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.821 7.302 -20.215 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.590 9.128 -19.367 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.228 9.727 -19.535 1.00 0.00 H new ATOM 272 N LYS A 18 13.410 8.707 -23.995 1.00 0.00 N ATOM 273 CA LYS A 18 13.171 9.511 -25.188 1.00 0.00 C ATOM 274 C LYS A 18 11.728 9.368 -25.660 1.00 0.00 C ATOM 275 O LYS A 18 11.149 10.305 -26.211 1.00 0.00 O ATOM 276 CB LYS A 18 14.129 9.095 -26.307 1.00 0.00 C ATOM 277 CG LYS A 18 14.206 7.593 -26.515 1.00 0.00 C ATOM 278 CD LYS A 18 15.324 6.973 -25.694 1.00 0.00 C ATOM 279 CE LYS A 18 15.898 5.740 -26.375 1.00 0.00 C ATOM 280 NZ LYS A 18 16.773 6.099 -27.525 1.00 0.00 N ATOM 0 H LYS A 18 13.235 7.710 -24.117 1.00 0.00 H new ATOM 0 HA LYS A 18 13.349 10.556 -24.934 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.814 9.566 -27.238 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.126 9.473 -26.080 1.00 0.00 H new ATOM 0 HG2 LYS A 18 13.255 7.137 -26.239 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.367 7.379 -27.572 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.115 7.707 -25.542 1.00 0.00 H new ATOM 0 HD3 LYS A 18 14.946 6.703 -24.708 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.469 5.158 -25.652 1.00 0.00 H new ATOM 0 HE3 LYS A 18 15.083 5.105 -26.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.289 5.255 -27.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 16.189 6.464 -28.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.452 6.829 -27.230 1.00 0.00 H new ATOM 294 N SER A 19 11.151 8.191 -25.440 1.00 0.00 N ATOM 295 CA SER A 19 9.776 7.925 -25.845 1.00 0.00 C ATOM 296 C SER A 19 8.875 7.750 -24.627 1.00 0.00 C ATOM 297 O SER A 19 9.334 7.484 -23.516 1.00 0.00 O ATOM 298 CB SER A 19 9.713 6.674 -26.724 1.00 0.00 C ATOM 299 OG SER A 19 9.900 7.000 -28.090 1.00 0.00 O ATOM 0 H SER A 19 11.615 7.406 -24.983 1.00 0.00 H new ATOM 0 HA SER A 19 9.421 8.781 -26.418 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.478 5.965 -26.408 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.749 6.182 -26.593 1.00 0.00 H new ATOM 0 HG SER A 19 9.857 6.183 -28.630 1.00 0.00 H new ATOM 305 N PRO A 20 7.559 7.905 -24.838 1.00 0.00 N ATOM 306 CA PRO A 20 6.564 7.768 -23.770 1.00 0.00 C ATOM 307 C PRO A 20 6.419 6.327 -23.294 1.00 0.00 C ATOM 308 O PRO A 20 5.941 6.074 -22.188 1.00 0.00 O ATOM 309 CB PRO A 20 5.268 8.247 -24.429 1.00 0.00 C ATOM 310 CG PRO A 20 5.474 8.011 -25.885 1.00 0.00 C ATOM 311 CD PRO A 20 6.941 8.223 -26.136 1.00 0.00 C ATOM 0 HA PRO A 20 6.840 8.334 -22.880 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.406 7.693 -24.056 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.084 9.301 -24.221 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.173 7.001 -26.163 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.873 8.698 -26.480 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.311 7.572 -26.928 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.152 9.248 -26.441 1.00 0.00 H new ATOM 319 N ARG A 21 6.833 5.386 -24.136 1.00 0.00 N ATOM 320 CA ARG A 21 6.747 3.969 -23.801 1.00 0.00 C ATOM 321 C ARG A 21 8.066 3.468 -23.220 1.00 0.00 C ATOM 322 O ARG A 21 8.377 2.280 -23.298 1.00 0.00 O ATOM 323 CB ARG A 21 6.381 3.152 -25.041 1.00 0.00 C ATOM 324 CG ARG A 21 5.501 1.949 -24.739 1.00 0.00 C ATOM 325 CD ARG A 21 4.041 2.348 -24.600 1.00 0.00 C ATOM 326 NE ARG A 21 3.494 2.870 -25.850 1.00 0.00 N ATOM 327 CZ ARG A 21 3.252 2.117 -26.917 1.00 0.00 C ATOM 328 NH1 ARG A 21 3.507 0.816 -26.886 1.00 0.00 N ATOM 329 NH2 ARG A 21 2.754 2.665 -28.018 1.00 0.00 N ATOM 0 H ARG A 21 7.231 5.579 -25.055 1.00 0.00 H new ATOM 0 HA ARG A 21 5.968 3.845 -23.049 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.867 3.798 -25.753 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.296 2.810 -25.524 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.604 1.212 -25.536 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.838 1.472 -23.819 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.458 1.484 -24.282 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.944 3.102 -23.819 1.00 0.00 H new ATOM 0 HE ARG A 21 3.287 3.867 -25.906 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.890 0.391 -26.041 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.320 0.240 -27.707 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.557 3.665 -28.045 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.569 2.086 -28.837 1.00 0.00 H new ATOM 343 N GLU A 22 8.835 4.382 -22.637 1.00 0.00 N ATOM 344 CA GLU A 22 10.120 4.031 -22.044 1.00 0.00 C ATOM 345 C GLU A 22 10.304 4.724 -20.696 1.00 0.00 C ATOM 346 O GLU A 22 9.603 5.684 -20.378 1.00 0.00 O ATOM 347 CB GLU A 22 11.264 4.414 -22.986 1.00 0.00 C ATOM 348 CG GLU A 22 12.429 3.439 -22.955 1.00 0.00 C ATOM 349 CD GLU A 22 12.137 2.157 -23.710 1.00 0.00 C ATOM 350 OE1 GLU A 22 10.945 1.832 -23.890 1.00 0.00 O ATOM 351 OE2 GLU A 22 13.102 1.477 -24.119 1.00 0.00 O ATOM 0 H GLU A 22 8.591 5.370 -22.563 1.00 0.00 H new ATOM 0 HA GLU A 22 10.135 2.953 -21.885 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.880 4.476 -24.004 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.625 5.408 -22.720 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.309 3.917 -23.385 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.670 3.199 -21.919 1.00 0.00 H new ATOM 358 N VAL A 23 11.253 4.228 -19.908 1.00 0.00 N ATOM 359 CA VAL A 23 11.531 4.798 -18.595 1.00 0.00 C ATOM 360 C VAL A 23 12.962 5.315 -18.511 1.00 0.00 C ATOM 361 O VAL A 23 13.718 5.244 -19.481 1.00 0.00 O ATOM 362 CB VAL A 23 11.303 3.765 -17.475 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.816 3.574 -17.218 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.966 2.443 -17.828 1.00 0.00 C ATOM 0 H VAL A 23 11.842 3.433 -20.156 1.00 0.00 H new ATOM 0 HA VAL A 23 10.840 5.630 -18.459 1.00 0.00 H new ATOM 0 HB VAL A 23 11.759 4.141 -16.559 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.675 2.841 -16.424 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.374 4.524 -16.918 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.332 3.220 -18.128 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.795 1.725 -17.026 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.541 2.059 -18.756 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.038 2.596 -17.956 1.00 0.00 H new ATOM 374 N THR A 24 13.331 5.836 -17.345 1.00 0.00 N ATOM 375 CA THR A 24 14.672 6.365 -17.134 1.00 0.00 C ATOM 376 C THR A 24 15.171 6.055 -15.728 1.00 0.00 C ATOM 377 O THR A 24 14.395 5.667 -14.855 1.00 0.00 O ATOM 378 CB THR A 24 14.716 7.889 -17.357 1.00 0.00 C ATOM 379 OG1 THR A 24 16.045 8.296 -17.700 1.00 0.00 O ATOM 380 CG2 THR A 24 14.259 8.632 -16.111 1.00 0.00 C ATOM 0 H THR A 24 12.719 5.903 -16.532 1.00 0.00 H new ATOM 0 HA THR A 24 15.321 5.879 -17.862 1.00 0.00 H new ATOM 0 HB THR A 24 14.039 8.133 -18.175 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.402 8.874 -16.994 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.299 9.706 -16.293 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.236 8.342 -15.869 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.914 8.381 -15.277 1.00 0.00 H new ATOM 388 N MET A 25 16.472 6.228 -15.514 1.00 0.00 N ATOM 389 CA MET A 25 17.073 5.968 -14.212 1.00 0.00 C ATOM 390 C MET A 25 18.153 6.998 -13.896 1.00 0.00 C ATOM 391 O MET A 25 18.506 7.822 -14.740 1.00 0.00 O ATOM 392 CB MET A 25 17.669 4.559 -14.174 1.00 0.00 C ATOM 393 CG MET A 25 16.805 3.515 -14.862 1.00 0.00 C ATOM 394 SD MET A 25 17.234 3.293 -16.599 1.00 0.00 S ATOM 395 CE MET A 25 18.936 2.753 -16.460 1.00 0.00 C ATOM 0 H MET A 25 17.129 6.547 -16.226 1.00 0.00 H new ATOM 0 HA MET A 25 16.291 6.045 -13.457 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.651 4.576 -14.648 1.00 0.00 H new ATOM 0 HB3 MET A 25 17.821 4.266 -13.135 1.00 0.00 H new ATOM 0 HG2 MET A 25 16.909 2.563 -14.342 1.00 0.00 H new ATOM 0 HG3 MET A 25 15.758 3.808 -14.785 1.00 0.00 H new ATOM 0 HE1 MET A 25 19.117 1.938 -17.161 1.00 0.00 H new ATOM 0 HE2 MET A 25 19.602 3.585 -16.691 1.00 0.00 H new ATOM 0 HE3 MET A 25 19.126 2.407 -15.444 1.00 0.00 H new ATOM 405 N LYS A 26 18.675 6.946 -12.675 1.00 0.00 N ATOM 406 CA LYS A 26 19.716 7.874 -12.247 1.00 0.00 C ATOM 407 C LYS A 26 20.970 7.121 -11.812 1.00 0.00 C ATOM 408 O LYS A 26 20.910 5.940 -11.470 1.00 0.00 O ATOM 409 CB LYS A 26 19.208 8.748 -11.099 1.00 0.00 C ATOM 410 CG LYS A 26 20.003 10.028 -10.911 1.00 0.00 C ATOM 411 CD LYS A 26 19.388 10.916 -9.842 1.00 0.00 C ATOM 412 CE LYS A 26 18.213 11.713 -10.388 1.00 0.00 C ATOM 413 NZ LYS A 26 17.776 12.776 -9.441 1.00 0.00 N ATOM 0 H LYS A 26 18.394 6.271 -11.964 1.00 0.00 H new ATOM 0 HA LYS A 26 19.972 8.511 -13.094 1.00 0.00 H new ATOM 0 HB2 LYS A 26 18.164 9.002 -11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.239 8.172 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 26 21.029 9.783 -10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.048 10.571 -11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 26 19.055 10.302 -9.005 1.00 0.00 H new ATOM 0 HD3 LYS A 26 20.144 11.599 -9.456 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.492 12.166 -11.339 1.00 0.00 H new ATOM 0 HE3 LYS A 26 17.379 11.040 -10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.974 13.296 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.485 12.342 -8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.564 13.433 -9.269 1.00 0.00 H new ATOM 427 N LYS A 27 22.104 7.813 -11.825 1.00 0.00 N ATOM 428 CA LYS A 27 23.372 7.213 -11.429 1.00 0.00 C ATOM 429 C LYS A 27 23.294 6.665 -10.007 1.00 0.00 C ATOM 430 O LYS A 27 23.426 7.410 -9.037 1.00 0.00 O ATOM 431 CB LYS A 27 24.501 8.241 -11.530 1.00 0.00 C ATOM 432 CG LYS A 27 24.175 9.569 -10.868 1.00 0.00 C ATOM 433 CD LYS A 27 23.809 10.628 -11.894 1.00 0.00 C ATOM 434 CE LYS A 27 24.993 11.530 -12.210 1.00 0.00 C ATOM 435 NZ LYS A 27 24.752 12.356 -13.426 1.00 0.00 N ATOM 0 H LYS A 27 22.171 8.791 -12.106 1.00 0.00 H new ATOM 0 HA LYS A 27 23.581 6.386 -12.107 1.00 0.00 H new ATOM 0 HB2 LYS A 27 25.400 7.827 -11.073 1.00 0.00 H new ATOM 0 HB3 LYS A 27 24.730 8.415 -12.581 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.348 9.436 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 27 25.032 9.906 -10.285 1.00 0.00 H new ATOM 0 HD2 LYS A 27 23.463 10.146 -12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 27 22.982 11.230 -11.518 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.189 12.184 -11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.885 10.921 -12.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.581 12.957 -13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 24.590 11.733 -14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 23.916 12.956 -13.278 1.00 0.00 H new ATOM 449 N GLY A 28 23.081 5.358 -9.892 1.00 0.00 N ATOM 450 CA GLY A 28 22.991 4.734 -8.585 1.00 0.00 C ATOM 451 C GLY A 28 21.561 4.619 -8.095 1.00 0.00 C ATOM 452 O GLY A 28 21.312 4.587 -6.889 1.00 0.00 O ATOM 0 H GLY A 28 22.969 4.720 -10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 28 23.438 3.741 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 28 23.572 5.314 -7.868 1.00 0.00 H new ATOM 456 N ASP A 29 20.620 4.559 -9.030 1.00 0.00 N ATOM 457 CA ASP A 29 19.207 4.448 -8.686 1.00 0.00 C ATOM 458 C ASP A 29 18.773 2.986 -8.635 1.00 0.00 C ATOM 459 O ASP A 29 19.572 2.083 -8.885 1.00 0.00 O ATOM 460 CB ASP A 29 18.352 5.211 -9.699 1.00 0.00 C ATOM 461 CG ASP A 29 17.226 5.984 -9.041 1.00 0.00 C ATOM 462 OD1 ASP A 29 17.430 6.486 -7.916 1.00 0.00 O ATOM 463 OD2 ASP A 29 16.140 6.085 -9.650 1.00 0.00 O ATOM 0 H ASP A 29 20.810 4.585 -10.032 1.00 0.00 H new ATOM 0 HA ASP A 29 19.064 4.886 -7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.985 5.901 -10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.934 4.508 -10.419 1.00 0.00 H new ATOM 468 N ILE A 30 17.505 2.762 -8.310 1.00 0.00 N ATOM 469 CA ILE A 30 16.966 1.410 -8.226 1.00 0.00 C ATOM 470 C ILE A 30 15.576 1.333 -8.849 1.00 0.00 C ATOM 471 O ILE A 30 14.707 2.157 -8.559 1.00 0.00 O ATOM 472 CB ILE A 30 16.890 0.923 -6.767 1.00 0.00 C ATOM 473 CG1 ILE A 30 18.244 1.099 -6.077 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.449 -0.532 -6.717 1.00 0.00 C ATOM 475 CD1 ILE A 30 18.210 0.803 -4.594 1.00 0.00 C ATOM 0 H ILE A 30 16.831 3.499 -8.100 1.00 0.00 H new ATOM 0 HA ILE A 30 17.647 0.764 -8.780 1.00 0.00 H new ATOM 0 HB ILE A 30 16.152 1.524 -6.236 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.973 0.444 -6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.589 2.122 -6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.400 -0.862 -5.679 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.465 -0.630 -7.176 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.166 -1.148 -7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.204 0.948 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.506 1.476 -4.105 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.896 -0.229 -4.436 1.00 0.00 H new ATOM 487 N LEU A 31 15.371 0.337 -9.704 1.00 0.00 N ATOM 488 CA LEU A 31 14.085 0.150 -10.367 1.00 0.00 C ATOM 489 C LEU A 31 13.553 -1.261 -10.136 1.00 0.00 C ATOM 490 O LEU A 31 14.308 -2.233 -10.163 1.00 0.00 O ATOM 491 CB LEU A 31 14.218 0.418 -11.867 1.00 0.00 C ATOM 492 CG LEU A 31 14.232 1.888 -12.288 1.00 0.00 C ATOM 493 CD1 LEU A 31 12.965 2.588 -11.821 1.00 0.00 C ATOM 494 CD2 LEU A 31 15.465 2.589 -11.738 1.00 0.00 C ATOM 0 H LEU A 31 16.079 -0.353 -9.954 1.00 0.00 H new ATOM 0 HA LEU A 31 13.377 0.860 -9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 31 15.138 -0.049 -12.219 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.393 -0.078 -12.379 1.00 0.00 H new ATOM 0 HG LEU A 31 14.268 1.934 -13.376 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.992 3.633 -12.129 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.096 2.101 -12.264 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.898 2.532 -10.735 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.458 3.634 -12.048 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.460 2.533 -10.649 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.362 2.103 -12.122 1.00 0.00 H new ATOM 506 N THR A 32 12.247 -1.366 -9.911 1.00 0.00 N ATOM 507 CA THR A 32 11.613 -2.657 -9.676 1.00 0.00 C ATOM 508 C THR A 32 11.487 -3.451 -10.971 1.00 0.00 C ATOM 509 O THR A 32 10.793 -3.035 -11.901 1.00 0.00 O ATOM 510 CB THR A 32 10.216 -2.492 -9.050 1.00 0.00 C ATOM 511 OG1 THR A 32 10.176 -1.307 -8.246 1.00 0.00 O ATOM 512 CG2 THR A 32 9.858 -3.701 -8.198 1.00 0.00 C ATOM 0 H THR A 32 11.608 -0.572 -9.887 1.00 0.00 H new ATOM 0 HA THR A 32 12.252 -3.201 -8.980 1.00 0.00 H new ATOM 0 HB THR A 32 9.488 -2.408 -9.857 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.284 -1.208 -7.853 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.867 -3.561 -7.766 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.861 -4.597 -8.819 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.590 -3.812 -7.398 1.00 0.00 H new ATOM 520 N LEU A 33 12.159 -4.595 -11.027 1.00 0.00 N ATOM 521 CA LEU A 33 12.121 -5.448 -12.210 1.00 0.00 C ATOM 522 C LEU A 33 10.783 -6.173 -12.316 1.00 0.00 C ATOM 523 O LEU A 33 10.430 -6.976 -11.452 1.00 0.00 O ATOM 524 CB LEU A 33 13.263 -6.465 -12.166 1.00 0.00 C ATOM 525 CG LEU A 33 13.453 -7.316 -13.422 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.433 -8.443 -13.463 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.347 -6.453 -14.672 1.00 0.00 C ATOM 0 H LEU A 33 12.737 -4.954 -10.267 1.00 0.00 H new ATOM 0 HA LEU A 33 12.240 -4.814 -13.089 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.192 -5.930 -11.970 1.00 0.00 H new ATOM 0 HB3 LEU A 33 13.096 -7.133 -11.321 1.00 0.00 H new ATOM 0 HG LEU A 33 14.450 -7.756 -13.392 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.584 -9.038 -14.364 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.556 -9.077 -12.585 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.427 -8.023 -13.470 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.485 -7.075 -15.556 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.364 -5.984 -14.708 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.117 -5.681 -14.648 1.00 0.00 H new ATOM 539 N LEU A 34 10.043 -5.885 -13.381 1.00 0.00 N ATOM 540 CA LEU A 34 8.744 -6.511 -13.602 1.00 0.00 C ATOM 541 C LEU A 34 8.875 -7.734 -14.503 1.00 0.00 C ATOM 542 O LEU A 34 8.203 -8.743 -14.298 1.00 0.00 O ATOM 543 CB LEU A 34 7.772 -5.507 -14.223 1.00 0.00 C ATOM 544 CG LEU A 34 6.885 -4.737 -13.244 1.00 0.00 C ATOM 545 CD1 LEU A 34 5.847 -5.660 -12.625 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.730 -4.080 -12.162 1.00 0.00 C ATOM 0 H LEU A 34 10.320 -5.222 -14.105 1.00 0.00 H new ATOM 0 HA LEU A 34 8.355 -6.835 -12.637 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.347 -4.787 -14.804 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.129 -6.040 -14.923 1.00 0.00 H new ATOM 0 HG LEU A 34 6.363 -3.954 -13.795 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.225 -5.095 -11.931 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.221 -6.083 -13.411 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.350 -6.465 -12.089 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.082 -3.536 -11.474 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.279 -4.846 -11.614 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.434 -3.387 -12.621 1.00 0.00 H new ATOM 558 N ASN A 35 9.748 -7.637 -15.501 1.00 0.00 N ATOM 559 CA ASN A 35 9.969 -8.737 -16.433 1.00 0.00 C ATOM 560 C ASN A 35 11.381 -8.685 -17.010 1.00 0.00 C ATOM 561 O ASN A 35 11.837 -7.638 -17.469 1.00 0.00 O ATOM 562 CB ASN A 35 8.941 -8.688 -17.565 1.00 0.00 C ATOM 563 CG ASN A 35 7.926 -9.810 -17.473 1.00 0.00 C ATOM 564 OD1 ASN A 35 6.738 -9.571 -17.254 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.390 -11.043 -17.640 1.00 0.00 N ATOM 0 H ASN A 35 10.314 -6.808 -15.685 1.00 0.00 H new ATOM 0 HA ASN A 35 9.853 -9.673 -15.886 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.422 -7.730 -17.540 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.457 -8.746 -18.523 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.754 -11.839 -17.589 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.383 -11.194 -17.820 1.00 0.00 H new ATOM 572 N SER A 36 12.067 -9.823 -16.984 1.00 0.00 N ATOM 573 CA SER A 36 13.428 -9.908 -17.502 1.00 0.00 C ATOM 574 C SER A 36 13.541 -11.005 -18.555 1.00 0.00 C ATOM 575 O SER A 36 14.550 -11.708 -18.632 1.00 0.00 O ATOM 576 CB SER A 36 14.413 -10.175 -16.363 1.00 0.00 C ATOM 577 OG SER A 36 14.187 -11.446 -15.780 1.00 0.00 O ATOM 0 H SER A 36 11.703 -10.699 -16.610 1.00 0.00 H new ATOM 0 HA SER A 36 13.673 -8.954 -17.969 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.434 -10.121 -16.741 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.313 -9.400 -15.603 1.00 0.00 H new ATOM 0 HG SER A 36 14.587 -11.472 -14.886 1.00 0.00 H new ATOM 583 N THR A 37 12.498 -11.148 -19.367 1.00 0.00 N ATOM 584 CA THR A 37 12.478 -12.160 -20.415 1.00 0.00 C ATOM 585 C THR A 37 13.650 -11.983 -21.373 1.00 0.00 C ATOM 586 O THR A 37 14.247 -12.959 -21.826 1.00 0.00 O ATOM 587 CB THR A 37 11.163 -12.113 -21.217 1.00 0.00 C ATOM 588 OG1 THR A 37 11.154 -10.966 -22.075 1.00 0.00 O ATOM 589 CG2 THR A 37 9.962 -12.065 -20.285 1.00 0.00 C ATOM 0 H THR A 37 11.656 -10.575 -19.318 1.00 0.00 H new ATOM 0 HA THR A 37 12.559 -13.128 -19.920 1.00 0.00 H new ATOM 0 HB THR A 37 11.098 -13.018 -21.820 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.316 -10.944 -22.583 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.045 -12.032 -20.874 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.956 -12.953 -19.653 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.023 -11.175 -19.659 1.00 0.00 H new ATOM 597 N ASN A 38 13.976 -10.731 -21.677 1.00 0.00 N ATOM 598 CA ASN A 38 15.079 -10.426 -22.581 1.00 0.00 C ATOM 599 C ASN A 38 16.379 -10.229 -21.807 1.00 0.00 C ATOM 600 O ASN A 38 16.380 -10.172 -20.577 1.00 0.00 O ATOM 601 CB ASN A 38 14.764 -9.171 -23.398 1.00 0.00 C ATOM 602 CG ASN A 38 15.305 -9.251 -24.812 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.390 -8.748 -25.104 1.00 0.00 O ATOM 604 ND2 ASN A 38 14.548 -9.887 -25.700 1.00 0.00 N ATOM 0 H ASN A 38 13.492 -9.911 -21.311 1.00 0.00 H new ATOM 0 HA ASN A 38 15.205 -11.271 -23.258 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.684 -9.025 -23.433 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.188 -8.300 -22.899 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.860 -9.973 -26.667 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.655 -10.289 -25.414 1.00 0.00 H new ATOM 611 N LYS A 39 17.485 -10.126 -22.536 1.00 0.00 N ATOM 612 CA LYS A 39 18.793 -9.933 -21.920 1.00 0.00 C ATOM 613 C LYS A 39 19.341 -8.544 -22.229 1.00 0.00 C ATOM 614 O LYS A 39 20.131 -7.993 -21.462 1.00 0.00 O ATOM 615 CB LYS A 39 19.773 -11.001 -22.411 1.00 0.00 C ATOM 616 CG LYS A 39 19.235 -12.417 -22.304 1.00 0.00 C ATOM 617 CD LYS A 39 18.996 -12.814 -20.857 1.00 0.00 C ATOM 618 CE LYS A 39 18.596 -14.277 -20.739 1.00 0.00 C ATOM 619 NZ LYS A 39 17.836 -14.545 -19.487 1.00 0.00 N ATOM 0 H LYS A 39 17.502 -10.173 -23.555 1.00 0.00 H new ATOM 0 HA LYS A 39 18.675 -10.025 -20.840 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.029 -10.796 -23.451 1.00 0.00 H new ATOM 0 HB3 LYS A 39 20.696 -10.928 -21.835 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.303 -12.496 -22.863 1.00 0.00 H new ATOM 0 HG3 LYS A 39 19.941 -13.111 -22.761 1.00 0.00 H new ATOM 0 HD2 LYS A 39 19.900 -12.635 -20.275 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.213 -12.186 -20.431 1.00 0.00 H new ATOM 0 HE2 LYS A 39 17.989 -14.558 -21.600 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.490 -14.901 -20.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.582 -15.553 -19.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.424 -14.301 -18.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.970 -13.969 -19.476 1.00 0.00 H new ATOM 633 N ASP A 40 18.915 -7.982 -23.355 1.00 0.00 N ATOM 634 CA ASP A 40 19.361 -6.655 -23.764 1.00 0.00 C ATOM 635 C ASP A 40 18.622 -5.570 -22.987 1.00 0.00 C ATOM 636 O ASP A 40 19.240 -4.660 -22.434 1.00 0.00 O ATOM 637 CB ASP A 40 19.145 -6.462 -25.265 1.00 0.00 C ATOM 638 CG ASP A 40 19.981 -7.414 -26.098 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.000 -7.917 -25.579 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.618 -7.655 -27.269 1.00 0.00 O ATOM 0 H ASP A 40 18.261 -8.425 -24.001 1.00 0.00 H new ATOM 0 HA ASP A 40 20.425 -6.572 -23.544 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.091 -6.609 -25.499 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.391 -5.435 -25.535 1.00 0.00 H new ATOM 645 N TRP A 41 17.299 -5.673 -22.951 1.00 0.00 N ATOM 646 CA TRP A 41 16.476 -4.699 -22.242 1.00 0.00 C ATOM 647 C TRP A 41 15.520 -5.393 -21.279 1.00 0.00 C ATOM 648 O TRP A 41 14.957 -6.442 -21.595 1.00 0.00 O ATOM 649 CB TRP A 41 15.687 -3.848 -23.238 1.00 0.00 C ATOM 650 CG TRP A 41 16.541 -3.244 -24.312 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.022 -3.872 -25.425 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.016 -1.895 -24.372 1.00 0.00 C ATOM 653 NE1 TRP A 41 17.768 -2.993 -26.174 1.00 0.00 N ATOM 654 CE2 TRP A 41 17.779 -1.774 -25.550 1.00 0.00 C ATOM 655 CE3 TRP A 41 16.870 -0.777 -23.546 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.394 -0.581 -25.919 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.481 0.407 -23.914 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.234 0.498 -25.092 1.00 0.00 C ATOM 0 H TRP A 41 16.773 -6.420 -23.404 1.00 0.00 H new ATOM 0 HA TRP A 41 17.137 -4.052 -21.665 1.00 0.00 H new ATOM 0 HB2 TRP A 41 14.916 -4.464 -23.701 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.176 -3.050 -22.699 1.00 0.00 H new ATOM 0 HD1 TRP A 41 16.843 -4.906 -25.679 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.237 -3.213 -27.052 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.290 -0.837 -22.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 18.977 -0.509 -26.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.376 1.277 -23.283 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.697 1.438 -25.353 1.00 0.00 H new ATOM 669 N TRP A 42 15.340 -4.803 -20.103 1.00 0.00 N ATOM 670 CA TRP A 42 14.451 -5.365 -19.093 1.00 0.00 C ATOM 671 C TRP A 42 13.281 -4.428 -18.815 1.00 0.00 C ATOM 672 O TRP A 42 13.401 -3.211 -18.954 1.00 0.00 O ATOM 673 CB TRP A 42 15.221 -5.637 -17.800 1.00 0.00 C ATOM 674 CG TRP A 42 16.336 -6.625 -17.969 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.412 -7.623 -18.898 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.531 -6.711 -17.186 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.583 -8.324 -18.740 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.288 -7.784 -17.697 1.00 0.00 C ATOM 679 CE3 TRP A 42 18.037 -5.985 -16.104 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.521 -8.146 -17.161 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.261 -6.346 -15.574 1.00 0.00 C ATOM 682 CH2 TRP A 42 19.992 -7.418 -16.102 1.00 0.00 C ATOM 0 H TRP A 42 15.798 -3.935 -19.825 1.00 0.00 H new ATOM 0 HA TRP A 42 14.056 -6.306 -19.476 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.630 -4.699 -17.425 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.528 -6.007 -17.044 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.662 -7.831 -19.647 1.00 0.00 H new ATOM 0 HE1 TRP A 42 17.879 -9.118 -19.307 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.481 -5.157 -15.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.086 -8.972 -17.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.661 -5.792 -14.738 1.00 0.00 H new ATOM 0 HH2 TRP A 42 20.946 -7.675 -15.665 1.00 0.00 H new ATOM 693 N LYS A 43 12.150 -5.002 -18.420 1.00 0.00 N ATOM 694 CA LYS A 43 10.957 -4.218 -18.120 1.00 0.00 C ATOM 695 C LYS A 43 10.888 -3.879 -16.634 1.00 0.00 C ATOM 696 O LYS A 43 10.769 -4.767 -15.790 1.00 0.00 O ATOM 697 CB LYS A 43 9.700 -4.983 -18.538 1.00 0.00 C ATOM 698 CG LYS A 43 8.412 -4.217 -18.293 1.00 0.00 C ATOM 699 CD LYS A 43 8.058 -3.329 -19.474 1.00 0.00 C ATOM 700 CE LYS A 43 7.031 -3.989 -20.380 1.00 0.00 C ATOM 701 NZ LYS A 43 5.716 -4.156 -19.701 1.00 0.00 N ATOM 0 H LYS A 43 12.034 -6.008 -18.300 1.00 0.00 H new ATOM 0 HA LYS A 43 11.013 -3.288 -18.685 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.770 -5.229 -19.597 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.661 -5.926 -17.993 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.599 -4.920 -18.108 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.516 -3.607 -17.396 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.667 -2.378 -19.111 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.959 -3.106 -20.046 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.901 -3.388 -21.280 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.401 -4.963 -20.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.957 -4.164 -20.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.708 -5.054 -19.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.564 -3.367 -19.041 1.00 0.00 H new ATOM 715 N VAL A 44 10.963 -2.589 -16.322 1.00 0.00 N ATOM 716 CA VAL A 44 10.906 -2.133 -14.939 1.00 0.00 C ATOM 717 C VAL A 44 9.740 -1.175 -14.723 1.00 0.00 C ATOM 718 O VAL A 44 9.237 -0.571 -15.670 1.00 0.00 O ATOM 719 CB VAL A 44 12.214 -1.433 -14.524 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.406 -2.352 -14.749 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.385 -0.129 -15.288 1.00 0.00 C ATOM 0 H VAL A 44 11.063 -1.842 -17.009 1.00 0.00 H new ATOM 0 HA VAL A 44 10.764 -3.019 -14.320 1.00 0.00 H new ATOM 0 HB VAL A 44 12.160 -1.201 -13.460 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.321 -1.841 -14.450 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.285 -3.257 -14.154 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.467 -2.617 -15.804 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.314 0.352 -14.983 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.418 -0.336 -16.358 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.546 0.532 -15.072 1.00 0.00 H new ATOM 731 N GLU A 45 9.315 -1.040 -13.471 1.00 0.00 N ATOM 732 CA GLU A 45 8.207 -0.155 -13.131 1.00 0.00 C ATOM 733 C GLU A 45 8.690 1.023 -12.291 1.00 0.00 C ATOM 734 O GLU A 45 9.384 0.843 -11.290 1.00 0.00 O ATOM 735 CB GLU A 45 7.123 -0.926 -12.374 1.00 0.00 C ATOM 736 CG GLU A 45 5.955 -0.059 -11.934 1.00 0.00 C ATOM 737 CD GLU A 45 5.019 -0.780 -10.984 1.00 0.00 C ATOM 738 OE1 GLU A 45 5.507 -1.334 -9.976 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.799 -0.790 -11.248 1.00 0.00 O ATOM 0 H GLU A 45 9.721 -1.532 -12.675 1.00 0.00 H new ATOM 0 HA GLU A 45 7.786 0.232 -14.059 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.749 -1.729 -13.009 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.568 -1.394 -11.496 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.337 0.840 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.397 0.265 -12.812 1.00 0.00 H new ATOM 746 N VAL A 46 8.318 2.230 -12.705 1.00 0.00 N ATOM 747 CA VAL A 46 8.712 3.439 -11.991 1.00 0.00 C ATOM 748 C VAL A 46 7.526 4.053 -11.255 1.00 0.00 C ATOM 749 O VAL A 46 6.370 3.788 -11.586 1.00 0.00 O ATOM 750 CB VAL A 46 9.306 4.488 -12.949 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.062 5.554 -12.171 1.00 0.00 C ATOM 752 CG2 VAL A 46 10.213 3.821 -13.973 1.00 0.00 C ATOM 0 H VAL A 46 7.744 2.397 -13.532 1.00 0.00 H new ATOM 0 HA VAL A 46 9.473 3.146 -11.268 1.00 0.00 H new ATOM 0 HB VAL A 46 8.488 4.972 -13.482 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.475 6.287 -12.865 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.381 6.052 -11.480 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.872 5.089 -11.610 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.624 4.577 -14.642 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.027 3.309 -13.459 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.638 3.098 -14.552 1.00 0.00 H new ATOM 762 N LYS A 47 7.821 4.876 -10.254 1.00 0.00 N ATOM 763 CA LYS A 47 6.780 5.531 -9.471 1.00 0.00 C ATOM 764 C LYS A 47 6.719 7.022 -9.786 1.00 0.00 C ATOM 765 O LYS A 47 7.744 7.657 -10.031 1.00 0.00 O ATOM 766 CB LYS A 47 7.033 5.325 -7.975 1.00 0.00 C ATOM 767 CG LYS A 47 6.373 4.078 -7.413 1.00 0.00 C ATOM 768 CD LYS A 47 4.957 4.361 -6.941 1.00 0.00 C ATOM 769 CE LYS A 47 4.949 5.201 -5.673 1.00 0.00 C ATOM 770 NZ LYS A 47 5.718 4.553 -4.574 1.00 0.00 N ATOM 0 H LYS A 47 8.772 5.105 -9.966 1.00 0.00 H new ATOM 0 HA LYS A 47 5.823 5.082 -9.737 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.108 5.267 -7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.669 6.196 -7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.354 3.300 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.965 3.695 -6.582 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.408 4.881 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.438 3.420 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.374 6.182 -5.884 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.920 5.362 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.423 4.954 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.534 3.529 -4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.734 4.723 -4.715 1.00 0.00 H new ATOM 784 N ALA A 48 5.510 7.575 -9.776 1.00 0.00 N ATOM 785 CA ALA A 48 5.317 8.992 -10.057 1.00 0.00 C ATOM 786 C ALA A 48 4.180 9.568 -9.220 1.00 0.00 C ATOM 787 O ALA A 48 3.375 8.827 -8.653 1.00 0.00 O ATOM 788 CB ALA A 48 5.042 9.203 -11.539 1.00 0.00 C ATOM 0 H ALA A 48 4.651 7.063 -9.576 1.00 0.00 H new ATOM 0 HA ALA A 48 6.233 9.518 -9.789 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.900 10.266 -11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.887 8.837 -12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.142 8.658 -11.823 1.00 0.00 H new ATOM 794 N THR A 49 4.119 10.894 -9.144 1.00 0.00 N ATOM 795 CA THR A 49 3.081 11.568 -8.374 1.00 0.00 C ATOM 796 C THR A 49 2.602 12.829 -9.084 1.00 0.00 C ATOM 797 O THR A 49 3.353 13.793 -9.232 1.00 0.00 O ATOM 798 CB THR A 49 3.581 11.944 -6.966 1.00 0.00 C ATOM 799 OG1 THR A 49 4.033 10.772 -6.278 1.00 0.00 O ATOM 800 CG2 THR A 49 2.480 12.618 -6.162 1.00 0.00 C ATOM 0 H THR A 49 4.776 11.522 -9.606 1.00 0.00 H new ATOM 0 HA THR A 49 2.251 10.868 -8.282 1.00 0.00 H new ATOM 0 HB THR A 49 4.410 12.644 -7.074 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.351 11.019 -5.384 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.857 12.874 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.159 13.525 -6.674 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.633 11.938 -6.063 1.00 0.00 H new ATOM 808 N ALA A 50 1.347 12.816 -9.520 1.00 0.00 N ATOM 809 CA ALA A 50 0.767 13.961 -10.212 1.00 0.00 C ATOM 810 C ALA A 50 -0.688 14.168 -9.806 1.00 0.00 C ATOM 811 O ALA A 50 -1.387 13.217 -9.461 1.00 0.00 O ATOM 812 CB ALA A 50 0.876 13.777 -11.719 1.00 0.00 C ATOM 0 H ALA A 50 0.712 12.026 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 50 1.327 14.851 -9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.439 14.639 -12.223 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.925 13.686 -11.999 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.342 12.874 -12.015 1.00 0.00 H new ATOM 818 N ASN A 51 -1.137 15.419 -9.849 1.00 0.00 N ATOM 819 CA ASN A 51 -2.509 15.751 -9.484 1.00 0.00 C ATOM 820 C ASN A 51 -2.835 15.250 -8.081 1.00 0.00 C ATOM 821 O ASN A 51 -3.982 14.923 -7.777 1.00 0.00 O ATOM 822 CB ASN A 51 -3.488 15.147 -10.494 1.00 0.00 C ATOM 823 CG ASN A 51 -3.062 15.391 -11.929 1.00 0.00 C ATOM 824 OD1 ASN A 51 -3.309 16.459 -12.489 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.418 14.398 -12.531 1.00 0.00 N ATOM 0 H ASN A 51 -0.571 16.218 -10.133 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.609 16.836 -9.495 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.570 14.074 -10.320 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.479 15.572 -10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.106 14.503 -13.497 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.235 13.530 -12.028 1.00 0.00 H new ATOM 832 N GLY A 52 -1.817 15.192 -7.227 1.00 0.00 N ATOM 833 CA GLY A 52 -2.015 14.731 -5.866 1.00 0.00 C ATOM 834 C GLY A 52 -2.301 13.244 -5.794 1.00 0.00 C ATOM 835 O GLY A 52 -2.861 12.758 -4.810 1.00 0.00 O ATOM 0 H GLY A 52 -0.858 15.456 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.126 14.956 -5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.843 15.279 -5.417 1.00 0.00 H new ATOM 839 N LYS A 53 -1.918 12.518 -6.838 1.00 0.00 N ATOM 840 CA LYS A 53 -2.136 11.077 -6.891 1.00 0.00 C ATOM 841 C LYS A 53 -0.874 10.352 -7.347 1.00 0.00 C ATOM 842 O LYS A 53 -0.178 10.806 -8.256 1.00 0.00 O ATOM 843 CB LYS A 53 -3.295 10.750 -7.836 1.00 0.00 C ATOM 844 CG LYS A 53 -4.661 11.079 -7.260 1.00 0.00 C ATOM 845 CD LYS A 53 -5.142 9.994 -6.311 1.00 0.00 C ATOM 846 CE LYS A 53 -6.482 10.352 -5.687 1.00 0.00 C ATOM 847 NZ LYS A 53 -7.567 10.419 -6.704 1.00 0.00 N ATOM 0 H LYS A 53 -1.454 12.904 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.387 10.736 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.160 11.301 -8.767 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.261 9.689 -8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.614 12.031 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.379 11.199 -8.071 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.231 9.051 -6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.402 9.843 -5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.739 9.611 -4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.401 11.313 -5.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.486 10.514 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.412 11.240 -7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.562 9.550 -7.275 1.00 0.00 H new ATOM 861 N THR A 54 -0.584 9.221 -6.712 1.00 0.00 N ATOM 862 CA THR A 54 0.594 8.433 -7.052 1.00 0.00 C ATOM 863 C THR A 54 0.261 7.368 -8.090 1.00 0.00 C ATOM 864 O THR A 54 -0.689 6.602 -7.925 1.00 0.00 O ATOM 865 CB THR A 54 1.193 7.751 -5.808 1.00 0.00 C ATOM 866 OG1 THR A 54 0.155 7.441 -4.872 1.00 0.00 O ATOM 867 CG2 THR A 54 2.228 8.648 -5.145 1.00 0.00 C ATOM 0 H THR A 54 -1.150 8.830 -5.959 1.00 0.00 H new ATOM 0 HA THR A 54 1.328 9.124 -7.466 1.00 0.00 H new ATOM 0 HB THR A 54 1.683 6.830 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.544 7.006 -4.085 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.637 8.145 -4.269 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.032 8.859 -5.850 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.758 9.583 -4.840 1.00 0.00 H new ATOM 875 N TYR A 55 1.048 7.324 -9.160 1.00 0.00 N ATOM 876 CA TYR A 55 0.835 6.353 -10.226 1.00 0.00 C ATOM 877 C TYR A 55 2.159 5.747 -10.683 1.00 0.00 C ATOM 878 O TYR A 55 3.191 6.417 -10.689 1.00 0.00 O ATOM 879 CB TYR A 55 0.127 7.012 -11.411 1.00 0.00 C ATOM 880 CG TYR A 55 1.017 7.936 -12.210 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.208 9.257 -11.822 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.667 7.490 -13.354 1.00 0.00 C ATOM 883 CE1 TYR A 55 2.020 10.105 -12.550 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.482 8.331 -14.087 1.00 0.00 C ATOM 885 CZ TYR A 55 2.655 9.637 -13.681 1.00 0.00 C ATOM 886 OH TYR A 55 3.465 10.478 -14.409 1.00 0.00 O ATOM 0 H TYR A 55 1.839 7.950 -9.312 1.00 0.00 H new ATOM 0 HA TYR A 55 0.206 5.554 -9.834 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.261 6.235 -12.070 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.731 7.575 -11.044 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.713 9.627 -10.936 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.533 6.468 -13.676 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.157 11.129 -12.235 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.981 7.967 -14.973 1.00 0.00 H new ATOM 0 HH TYR A 55 3.837 9.992 -15.175 1.00 0.00 H new ATOM 896 N GLU A 56 2.118 4.475 -11.067 1.00 0.00 N ATOM 897 CA GLU A 56 3.314 3.778 -11.525 1.00 0.00 C ATOM 898 C GLU A 56 3.245 3.508 -13.026 1.00 0.00 C ATOM 899 O GLU A 56 2.169 3.272 -13.575 1.00 0.00 O ATOM 900 CB GLU A 56 3.486 2.460 -10.766 1.00 0.00 C ATOM 901 CG GLU A 56 3.547 2.630 -9.258 1.00 0.00 C ATOM 902 CD GLU A 56 2.996 1.429 -8.513 1.00 0.00 C ATOM 903 OE1 GLU A 56 1.943 0.904 -8.929 1.00 0.00 O ATOM 904 OE2 GLU A 56 3.620 1.016 -7.513 1.00 0.00 O ATOM 0 H GLU A 56 1.271 3.907 -11.070 1.00 0.00 H new ATOM 0 HA GLU A 56 4.174 4.418 -11.327 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.658 1.796 -11.015 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.399 1.972 -11.105 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.581 2.797 -8.956 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.984 3.519 -8.973 1.00 0.00 H new ATOM 911 N ARG A 57 4.400 3.545 -13.681 1.00 0.00 N ATOM 912 CA ARG A 57 4.471 3.306 -15.118 1.00 0.00 C ATOM 913 C ARG A 57 5.566 2.296 -15.448 1.00 0.00 C ATOM 914 O ARG A 57 6.686 2.396 -14.947 1.00 0.00 O ATOM 915 CB ARG A 57 4.731 4.617 -15.862 1.00 0.00 C ATOM 916 CG ARG A 57 5.909 5.406 -15.314 1.00 0.00 C ATOM 917 CD ARG A 57 6.094 6.719 -16.057 1.00 0.00 C ATOM 918 NE ARG A 57 6.608 6.516 -17.409 1.00 0.00 N ATOM 919 CZ ARG A 57 6.772 7.498 -18.288 1.00 0.00 C ATOM 920 NH1 ARG A 57 6.464 8.745 -17.959 1.00 0.00 N ATOM 921 NH2 ARG A 57 7.245 7.234 -19.499 1.00 0.00 N ATOM 0 H ARG A 57 5.299 3.738 -13.240 1.00 0.00 H new ATOM 0 HA ARG A 57 3.514 2.896 -15.440 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.910 4.398 -16.915 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.835 5.236 -15.813 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.753 5.606 -14.254 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.818 4.809 -15.396 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.140 7.245 -16.107 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.781 7.357 -15.500 1.00 0.00 H new ATOM 0 HE ARG A 57 6.855 5.568 -17.694 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.100 8.952 -17.029 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.591 9.497 -18.636 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.483 6.276 -19.756 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.371 7.989 -20.173 1.00 0.00 H new ATOM 935 N GLN A 58 5.234 1.325 -16.292 1.00 0.00 N ATOM 936 CA GLN A 58 6.189 0.297 -16.688 1.00 0.00 C ATOM 937 C GLN A 58 6.895 0.679 -17.984 1.00 0.00 C ATOM 938 O GLN A 58 6.263 1.134 -18.936 1.00 0.00 O ATOM 939 CB GLN A 58 5.481 -1.049 -16.856 1.00 0.00 C ATOM 940 CG GLN A 58 4.947 -1.622 -15.553 1.00 0.00 C ATOM 941 CD GLN A 58 3.884 -2.681 -15.774 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.740 -2.527 -15.345 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.257 -3.763 -16.448 1.00 0.00 N ATOM 0 H GLN A 58 4.311 1.228 -16.715 1.00 0.00 H new ATOM 0 HA GLN A 58 6.938 0.210 -15.901 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.655 -0.931 -17.557 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.175 -1.763 -17.300 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.771 -2.053 -14.985 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.531 -0.815 -14.949 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.216 -3.849 -16.785 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.585 -4.508 -16.629 1.00 0.00 H new ATOM 952 N GLY A 59 8.211 0.491 -18.013 1.00 0.00 N ATOM 953 CA GLY A 59 8.982 0.822 -19.198 1.00 0.00 C ATOM 954 C GLY A 59 10.135 -0.135 -19.425 1.00 0.00 C ATOM 955 O GLY A 59 10.282 -1.123 -18.706 1.00 0.00 O ATOM 0 H GLY A 59 8.757 0.116 -17.238 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.327 0.810 -20.069 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.369 1.837 -19.104 1.00 0.00 H new ATOM 959 N PHE A 60 10.956 0.158 -20.429 1.00 0.00 N ATOM 960 CA PHE A 60 12.101 -0.685 -20.750 1.00 0.00 C ATOM 961 C PHE A 60 13.411 0.041 -20.456 1.00 0.00 C ATOM 962 O PHE A 60 13.512 1.256 -20.627 1.00 0.00 O ATOM 963 CB PHE A 60 12.056 -1.104 -22.222 1.00 0.00 C ATOM 964 CG PHE A 60 10.830 -1.892 -22.583 1.00 0.00 C ATOM 965 CD1 PHE A 60 10.723 -3.230 -22.237 1.00 0.00 C ATOM 966 CD2 PHE A 60 9.785 -1.296 -23.270 1.00 0.00 C ATOM 967 CE1 PHE A 60 9.596 -3.958 -22.568 1.00 0.00 C ATOM 968 CE2 PHE A 60 8.655 -2.020 -23.603 1.00 0.00 C ATOM 969 CZ PHE A 60 8.561 -3.352 -23.253 1.00 0.00 C ATOM 0 H PHE A 60 10.849 0.973 -21.034 1.00 0.00 H new ATOM 0 HA PHE A 60 12.051 -1.576 -20.124 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.102 -0.212 -22.847 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.941 -1.699 -22.449 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.530 -3.709 -21.702 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.854 -0.255 -23.548 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.525 -5.000 -22.291 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.846 -1.543 -24.137 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.680 -3.919 -23.514 1.00 0.00 H new ATOM 979 N VAL A 61 14.412 -0.713 -20.013 1.00 0.00 N ATOM 980 CA VAL A 61 15.715 -0.143 -19.695 1.00 0.00 C ATOM 981 C VAL A 61 16.843 -1.048 -20.178 1.00 0.00 C ATOM 982 O VAL A 61 16.690 -2.264 -20.297 1.00 0.00 O ATOM 983 CB VAL A 61 15.872 0.090 -18.181 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.867 1.123 -17.693 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.715 -1.219 -17.421 1.00 0.00 C ATOM 0 H VAL A 61 14.345 -1.720 -19.866 1.00 0.00 H new ATOM 0 HA VAL A 61 15.775 0.815 -20.211 1.00 0.00 H new ATOM 0 HB VAL A 61 16.874 0.475 -17.992 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.993 1.275 -16.621 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.032 2.066 -18.215 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.856 0.769 -17.893 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.829 -1.035 -16.353 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.726 -1.636 -17.614 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.477 -1.925 -17.751 1.00 0.00 H new ATOM 995 N PRO A 62 18.006 -0.443 -20.463 1.00 0.00 N ATOM 996 CA PRO A 62 19.184 -1.176 -20.937 1.00 0.00 C ATOM 997 C PRO A 62 19.795 -2.056 -19.851 1.00 0.00 C ATOM 998 O PRO A 62 20.316 -1.556 -18.855 1.00 0.00 O ATOM 999 CB PRO A 62 20.158 -0.064 -21.334 1.00 0.00 C ATOM 1000 CG PRO A 62 19.752 1.108 -20.508 1.00 0.00 C ATOM 1001 CD PRO A 62 18.261 1.002 -20.344 1.00 0.00 C ATOM 0 HA PRO A 62 18.939 -1.858 -21.751 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.190 -0.351 -21.133 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.091 0.160 -22.399 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.253 1.096 -19.540 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.025 2.043 -20.996 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.934 1.389 -19.379 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.731 1.568 -21.110 1.00 0.00 H new ATOM 1009 N ALA A 63 19.727 -3.368 -20.052 1.00 0.00 N ATOM 1010 CA ALA A 63 20.276 -4.317 -19.091 1.00 0.00 C ATOM 1011 C ALA A 63 21.784 -4.141 -18.946 1.00 0.00 C ATOM 1012 O ALA A 63 22.390 -4.650 -18.004 1.00 0.00 O ATOM 1013 CB ALA A 63 19.946 -5.742 -19.509 1.00 0.00 C ATOM 0 H ALA A 63 19.297 -3.798 -20.871 1.00 0.00 H new ATOM 0 HA ALA A 63 19.819 -4.120 -18.121 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.362 -6.440 -18.782 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.864 -5.867 -19.554 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.375 -5.942 -20.491 1.00 0.00 H new ATOM 1019 N ALA A 64 22.384 -3.419 -19.887 1.00 0.00 N ATOM 1020 CA ALA A 64 23.821 -3.176 -19.863 1.00 0.00 C ATOM 1021 C ALA A 64 24.182 -2.119 -18.824 1.00 0.00 C ATOM 1022 O ALA A 64 25.317 -2.064 -18.350 1.00 0.00 O ATOM 1023 CB ALA A 64 24.307 -2.752 -21.241 1.00 0.00 C ATOM 0 H ALA A 64 21.897 -2.992 -20.675 1.00 0.00 H new ATOM 0 HA ALA A 64 24.317 -4.106 -19.585 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.382 -2.574 -21.209 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.091 -3.541 -21.962 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.796 -1.837 -21.541 1.00 0.00 H new ATOM 1029 N TYR A 65 23.211 -1.283 -18.476 1.00 0.00 N ATOM 1030 CA TYR A 65 23.427 -0.226 -17.495 1.00 0.00 C ATOM 1031 C TYR A 65 22.812 -0.597 -16.149 1.00 0.00 C ATOM 1032 O TYR A 65 23.230 -0.098 -15.104 1.00 0.00 O ATOM 1033 CB TYR A 65 22.832 1.092 -17.995 1.00 0.00 C ATOM 1034 CG TYR A 65 23.415 1.560 -19.309 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.697 1.186 -19.695 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.686 2.376 -20.164 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.234 1.612 -20.895 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.214 2.806 -21.366 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.489 2.421 -21.726 1.00 0.00 C ATOM 1040 OH TYR A 65 25.019 2.848 -22.922 1.00 0.00 O ATOM 0 H TYR A 65 22.266 -1.316 -18.859 1.00 0.00 H new ATOM 0 HA TYR A 65 24.502 -0.104 -17.361 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.754 0.975 -18.107 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.993 1.863 -17.241 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.283 0.552 -19.046 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.688 2.680 -19.884 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.232 1.313 -21.180 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.633 3.439 -22.020 1.00 0.00 H new ATOM 0 HH TYR A 65 24.365 3.409 -23.388 1.00 0.00 H new ATOM 1050 N VAL A 66 21.817 -1.478 -16.183 1.00 0.00 N ATOM 1051 CA VAL A 66 21.144 -1.918 -14.967 1.00 0.00 C ATOM 1052 C VAL A 66 21.400 -3.398 -14.703 1.00 0.00 C ATOM 1053 O VAL A 66 21.445 -4.207 -15.631 1.00 0.00 O ATOM 1054 CB VAL A 66 19.625 -1.677 -15.048 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.333 -0.237 -15.440 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.983 -2.646 -16.029 1.00 0.00 C ATOM 0 H VAL A 66 21.459 -1.901 -17.040 1.00 0.00 H new ATOM 0 HA VAL A 66 21.554 -1.329 -14.147 1.00 0.00 H new ATOM 0 HB VAL A 66 19.194 -1.855 -14.063 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.255 -0.086 -15.492 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.758 0.436 -14.696 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.776 -0.028 -16.414 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.910 -2.461 -16.073 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.417 -2.503 -17.019 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.162 -3.669 -15.699 1.00 0.00 H new ATOM 1066 N LYS A 67 21.565 -3.746 -13.432 1.00 0.00 N ATOM 1067 CA LYS A 67 21.814 -5.130 -13.044 1.00 0.00 C ATOM 1068 C LYS A 67 20.961 -5.519 -11.840 1.00 0.00 C ATOM 1069 O LYS A 67 20.979 -4.846 -10.809 1.00 0.00 O ATOM 1070 CB LYS A 67 23.296 -5.331 -12.718 1.00 0.00 C ATOM 1071 CG LYS A 67 23.603 -6.677 -12.085 1.00 0.00 C ATOM 1072 CD LYS A 67 25.068 -7.046 -12.242 1.00 0.00 C ATOM 1073 CE LYS A 67 25.943 -6.284 -11.258 1.00 0.00 C ATOM 1074 NZ LYS A 67 27.369 -6.707 -11.342 1.00 0.00 N ATOM 0 H LYS A 67 21.531 -3.089 -12.652 1.00 0.00 H new ATOM 0 HA LYS A 67 21.542 -5.771 -13.883 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.878 -5.229 -13.634 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.622 -4.539 -12.043 1.00 0.00 H new ATOM 0 HG2 LYS A 67 23.345 -6.649 -11.026 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.982 -7.446 -12.544 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.193 -8.118 -12.087 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.391 -6.831 -13.260 1.00 0.00 H new ATOM 0 HE2 LYS A 67 25.869 -5.215 -11.458 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.575 -6.445 -10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 27.933 -6.165 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 27.443 -7.722 -11.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 27.728 -6.530 -12.302 1.00 0.00 H new ATOM 1088 N LYS A 68 20.215 -6.610 -11.978 1.00 0.00 N ATOM 1089 CA LYS A 68 19.357 -7.091 -10.902 1.00 0.00 C ATOM 1090 C LYS A 68 20.149 -7.262 -9.609 1.00 0.00 C ATOM 1091 O LYS A 68 21.361 -7.482 -9.636 1.00 0.00 O ATOM 1092 CB LYS A 68 18.709 -8.421 -11.295 1.00 0.00 C ATOM 1093 CG LYS A 68 17.864 -8.337 -12.554 1.00 0.00 C ATOM 1094 CD LYS A 68 17.655 -9.707 -13.178 1.00 0.00 C ATOM 1095 CE LYS A 68 16.629 -10.521 -12.404 1.00 0.00 C ATOM 1096 NZ LYS A 68 16.566 -11.930 -12.881 1.00 0.00 N ATOM 0 H LYS A 68 20.187 -7.178 -12.825 1.00 0.00 H new ATOM 0 HA LYS A 68 18.577 -6.349 -10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 68 19.490 -9.167 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 68 18.085 -8.769 -10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 68 16.897 -7.894 -12.315 1.00 0.00 H new ATOM 0 HG3 LYS A 68 18.348 -7.678 -13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.325 -9.591 -14.211 1.00 0.00 H new ATOM 0 HD3 LYS A 68 18.603 -10.245 -13.204 1.00 0.00 H new ATOM 0 HE2 LYS A 68 16.880 -10.507 -11.343 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.647 -10.059 -12.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.856 -12.452 -12.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.302 -11.945 -13.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.496 -12.379 -12.761 1.00 0.00 H new