USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 527 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 86:sc= 0.471 USER MOD Single : A 16 GLN : amide:sc= -2.21 X(o=-2.2,f=-2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.254 USER MOD Single : A 24 THR OG1 : rot 113:sc= 0.745 USER MOD Single : A 25 MET CE :methyl -161:sc= -2.56 (180deg=-4.21!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0643) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.411 X(o=-0.41,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 39 LYS NZ :NH3+ -137:sc= -0.427 (180deg=-2.12!) USER MOD Single : A 43 LYS NZ :NH3+ -114:sc= -0.0832 (180deg=-0.255) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.4) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0742 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -2.75! C(o=-2.8!,f=-2.4!) 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 Single : A 68 LYS NZ :NH3+ -124:sc= -0.189 (180deg=-1.46) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 -3.538 3.001 -9.915 1.00 0.00 N ATOM 89 CA GLU A 7 -3.836 4.426 -9.991 1.00 0.00 C ATOM 90 C GLU A 7 -3.232 5.172 -8.805 1.00 0.00 C ATOM 91 O GLU A 7 -3.895 5.388 -7.790 1.00 0.00 O ATOM 92 CB GLU A 7 -5.348 4.652 -10.033 1.00 0.00 C ATOM 93 CG GLU A 7 -5.861 5.087 -11.396 1.00 0.00 C ATOM 94 CD GLU A 7 -7.202 4.468 -11.740 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.391 3.267 -11.451 1.00 0.00 O ATOM 96 OE2 GLU A 7 -8.061 5.182 -12.297 1.00 0.00 O ATOM 0 HA GLU A 7 -3.392 4.815 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.853 3.731 -9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.614 5.409 -9.295 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.951 6.173 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.132 4.813 -12.159 1.00 0.00 H new ATOM 103 N LEU A 8 -1.969 5.563 -8.940 1.00 0.00 N ATOM 104 CA LEU A 8 -1.274 6.284 -7.879 1.00 0.00 C ATOM 105 C LEU A 8 -1.480 7.789 -8.019 1.00 0.00 C ATOM 106 O LEU A 8 -1.478 8.326 -9.126 1.00 0.00 O ATOM 107 CB LEU A 8 0.220 5.958 -7.908 1.00 0.00 C ATOM 108 CG LEU A 8 0.681 4.837 -6.976 1.00 0.00 C ATOM 109 CD1 LEU A 8 0.474 5.233 -5.522 1.00 0.00 C ATOM 110 CD2 LEU A 8 -0.060 3.545 -7.289 1.00 0.00 C ATOM 0 H LEU A 8 -1.406 5.393 -9.773 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.691 5.966 -6.923 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.493 5.690 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.774 6.863 -7.657 1.00 0.00 H new ATOM 0 HG LEU A 8 1.746 4.670 -7.138 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.808 4.423 -4.873 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.050 6.133 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.584 5.427 -5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.281 2.758 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.131 3.698 -7.155 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.139 3.252 -8.320 1.00 0.00 H new ATOM 122 N VAL A 9 -1.656 8.464 -6.888 1.00 0.00 N ATOM 123 CA VAL A 9 -1.860 9.908 -6.883 1.00 0.00 C ATOM 124 C VAL A 9 -0.884 10.598 -5.937 1.00 0.00 C ATOM 125 O VAL A 9 -0.594 10.095 -4.851 1.00 0.00 O ATOM 126 CB VAL A 9 -3.300 10.270 -6.471 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.282 9.884 -7.566 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.663 9.596 -5.156 1.00 0.00 C ATOM 0 H VAL A 9 -1.661 8.034 -5.963 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.682 10.256 -7.901 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.358 11.349 -6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.294 10.147 -7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.032 10.417 -8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.225 8.810 -7.744 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.683 9.863 -4.880 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.588 8.514 -5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.978 9.928 -4.376 1.00 0.00 H new ATOM 138 N LEU A 10 -0.379 11.753 -6.356 1.00 0.00 N ATOM 139 CA LEU A 10 0.565 12.514 -5.546 1.00 0.00 C ATOM 140 C LEU A 10 -0.105 13.741 -4.937 1.00 0.00 C ATOM 141 O LEU A 10 -1.013 14.324 -5.530 1.00 0.00 O ATOM 142 CB LEU A 10 1.765 12.943 -6.394 1.00 0.00 C ATOM 143 CG LEU A 10 3.065 13.205 -5.633 1.00 0.00 C ATOM 144 CD1 LEU A 10 4.268 12.904 -6.513 1.00 0.00 C ATOM 145 CD2 LEU A 10 3.111 14.642 -5.135 1.00 0.00 C ATOM 0 H LEU A 10 -0.608 12.183 -7.252 1.00 0.00 H new ATOM 0 HA LEU A 10 0.910 11.872 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.953 12.170 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.496 13.849 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 10 3.098 12.542 -4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.184 13.096 -5.955 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.242 11.858 -6.819 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.241 13.542 -7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.043 14.811 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.055 15.323 -5.984 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.268 14.823 -4.468 1.00 0.00 H new ATOM 157 N ALA A 11 0.350 14.130 -3.750 1.00 0.00 N ATOM 158 CA ALA A 11 -0.203 15.290 -3.062 1.00 0.00 C ATOM 159 C ALA A 11 0.545 16.562 -3.444 1.00 0.00 C ATOM 160 O ALA A 11 1.771 16.630 -3.338 1.00 0.00 O ATOM 161 CB ALA A 11 -0.158 15.081 -1.556 1.00 0.00 C ATOM 0 H ALA A 11 1.100 13.658 -3.245 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.242 15.404 -3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.574 15.955 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.743 14.199 -1.293 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.875 14.939 -1.239 1.00 0.00 H new ATOM 167 N LEU A 12 -0.198 17.569 -3.889 1.00 0.00 N ATOM 168 CA LEU A 12 0.395 18.841 -4.288 1.00 0.00 C ATOM 169 C LEU A 12 0.431 19.816 -3.116 1.00 0.00 C ATOM 170 O LEU A 12 1.368 20.603 -2.979 1.00 0.00 O ATOM 171 CB LEU A 12 -0.391 19.451 -5.450 1.00 0.00 C ATOM 172 CG LEU A 12 -0.481 18.602 -6.718 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.435 19.237 -7.719 1.00 0.00 C ATOM 174 CD2 LEU A 12 0.897 18.418 -7.336 1.00 0.00 C ATOM 0 H LEU A 12 -1.213 17.530 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 12 1.419 18.651 -4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.403 19.663 -5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.065 20.407 -5.708 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.870 17.620 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.486 18.619 -8.615 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.428 19.317 -7.276 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.075 20.231 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.813 17.811 -8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.314 19.392 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.552 17.919 -6.622 1.00 0.00 H new ATOM 186 N TYR A 13 -0.593 19.757 -2.272 1.00 0.00 N ATOM 187 CA TYR A 13 -0.678 20.635 -1.111 1.00 0.00 C ATOM 188 C TYR A 13 -0.665 19.828 0.184 1.00 0.00 C ATOM 189 O TYR A 13 -0.586 18.600 0.163 1.00 0.00 O ATOM 190 CB TYR A 13 -1.947 21.486 -1.181 1.00 0.00 C ATOM 191 CG TYR A 13 -2.014 22.374 -2.403 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.325 21.849 -3.652 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.766 23.738 -2.309 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.386 22.657 -4.771 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.826 24.553 -3.423 1.00 0.00 C ATOM 196 CZ TYR A 13 -2.136 24.008 -4.651 1.00 0.00 C ATOM 197 OH TYR A 13 -2.197 24.816 -5.763 1.00 0.00 O ATOM 0 H TYR A 13 -1.376 19.110 -2.370 1.00 0.00 H new ATOM 0 HA TYR A 13 0.193 21.291 -1.119 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.816 20.828 -1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.008 22.107 -0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.522 20.792 -3.749 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.522 24.168 -1.349 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.628 22.233 -5.734 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.631 25.611 -3.332 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.996 25.740 -5.507 1.00 0.00 H new ATOM 207 N ASP A 14 -0.743 20.529 1.310 1.00 0.00 N ATOM 208 CA ASP A 14 -0.741 19.880 2.616 1.00 0.00 C ATOM 209 C ASP A 14 -2.162 19.735 3.153 1.00 0.00 C ATOM 210 O ASP A 14 -2.947 20.683 3.125 1.00 0.00 O ATOM 211 CB ASP A 14 0.111 20.678 3.605 1.00 0.00 C ATOM 212 CG ASP A 14 -0.330 22.124 3.714 1.00 0.00 C ATOM 213 OD1 ASP A 14 0.165 22.956 2.925 1.00 0.00 O ATOM 214 OD2 ASP A 14 -1.169 22.424 4.588 1.00 0.00 O ATOM 0 H ASP A 14 -0.808 21.546 1.345 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.312 18.885 2.499 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.056 20.210 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.155 20.642 3.292 1.00 0.00 H new ATOM 219 N TYR A 15 -2.485 18.542 3.639 1.00 0.00 N ATOM 220 CA TYR A 15 -3.812 18.271 4.179 1.00 0.00 C ATOM 221 C TYR A 15 -3.718 17.569 5.530 1.00 0.00 C ATOM 222 O TYR A 15 -2.701 16.956 5.853 1.00 0.00 O ATOM 223 CB TYR A 15 -4.618 17.413 3.201 1.00 0.00 C ATOM 224 CG TYR A 15 -6.082 17.299 3.561 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.931 18.394 3.457 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.617 16.096 4.005 1.00 0.00 C ATOM 227 CE1 TYR A 15 -8.269 18.295 3.785 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.954 15.987 4.334 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.776 17.089 4.222 1.00 0.00 C ATOM 230 OH TYR A 15 -10.109 16.985 4.550 1.00 0.00 O ATOM 0 H TYR A 15 -1.846 17.747 3.670 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.320 19.225 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.530 17.837 2.201 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.183 16.414 3.163 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -6.538 19.339 3.114 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.976 15.231 4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.914 19.157 3.700 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.354 15.044 4.677 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.630 16.787 3.744 1.00 0.00 H new ATOM 240 N GLN A 16 -4.787 17.664 6.314 1.00 0.00 N ATOM 241 CA GLN A 16 -4.825 17.039 7.631 1.00 0.00 C ATOM 242 C GLN A 16 -6.086 16.197 7.797 1.00 0.00 C ATOM 243 O GLN A 16 -7.104 16.455 7.156 1.00 0.00 O ATOM 244 CB GLN A 16 -4.761 18.104 8.727 1.00 0.00 C ATOM 245 CG GLN A 16 -5.672 19.295 8.473 1.00 0.00 C ATOM 246 CD GLN A 16 -7.141 18.919 8.487 1.00 0.00 C ATOM 247 OE1 GLN A 16 -7.667 18.466 9.504 1.00 0.00 O ATOM 248 NE2 GLN A 16 -7.811 19.106 7.356 1.00 0.00 N ATOM 0 H GLN A 16 -5.637 18.167 6.061 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.958 16.384 7.720 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.029 17.649 9.680 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.734 18.456 8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -5.488 20.056 9.231 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.423 19.739 7.509 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -7.334 19.484 6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.802 18.872 7.306 1.00 0.00 H new ATOM 257 N GLU A 17 -6.010 15.190 8.662 1.00 0.00 N ATOM 258 CA GLU A 17 -7.146 14.310 8.910 1.00 0.00 C ATOM 259 C GLU A 17 -7.881 14.718 10.184 1.00 0.00 C ATOM 260 O GLU A 17 -7.263 14.971 11.218 1.00 0.00 O ATOM 261 CB GLU A 17 -6.679 12.857 9.021 1.00 0.00 C ATOM 262 CG GLU A 17 -5.945 12.551 10.316 1.00 0.00 C ATOM 263 CD GLU A 17 -5.289 11.184 10.305 1.00 0.00 C ATOM 264 OE1 GLU A 17 -6.023 10.174 10.282 1.00 0.00 O ATOM 265 OE2 GLU A 17 -4.042 11.124 10.319 1.00 0.00 O ATOM 0 H GLU A 17 -5.175 14.964 9.202 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.834 14.400 8.069 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.544 12.199 8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.025 12.629 8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.185 13.313 10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.646 12.607 11.149 1.00 0.00 H new ATOM 272 N LYS A 18 -9.206 14.780 10.100 1.00 0.00 N ATOM 273 CA LYS A 18 -10.028 15.156 11.244 1.00 0.00 C ATOM 274 C LYS A 18 -10.737 13.939 11.829 1.00 0.00 C ATOM 275 O LYS A 18 -11.078 13.916 13.011 1.00 0.00 O ATOM 276 CB LYS A 18 -11.059 16.211 10.833 1.00 0.00 C ATOM 277 CG LYS A 18 -11.868 15.825 9.607 1.00 0.00 C ATOM 278 CD LYS A 18 -13.094 16.708 9.447 1.00 0.00 C ATOM 279 CE LYS A 18 -14.287 16.150 10.207 1.00 0.00 C ATOM 280 NZ LYS A 18 -15.544 16.878 9.880 1.00 0.00 N ATOM 0 H LYS A 18 -9.733 14.575 9.251 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.373 15.575 12.008 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.739 16.386 11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -10.545 17.152 10.637 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.243 15.904 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.177 14.783 9.687 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.870 17.712 9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.344 16.797 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.407 15.093 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.098 16.216 11.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -16.333 16.467 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.439 17.882 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.739 16.794 8.862 1.00 0.00 H new ATOM 294 N SER A 19 -10.955 12.929 10.993 1.00 0.00 N ATOM 295 CA SER A 19 -11.625 11.708 11.427 1.00 0.00 C ATOM 296 C SER A 19 -10.700 10.503 11.293 1.00 0.00 C ATOM 297 O SER A 19 -9.708 10.528 10.565 1.00 0.00 O ATOM 298 CB SER A 19 -12.898 11.482 10.608 1.00 0.00 C ATOM 299 OG SER A 19 -13.280 12.662 9.922 1.00 0.00 O ATOM 0 H SER A 19 -10.678 12.932 10.011 1.00 0.00 H new ATOM 0 HA SER A 19 -11.892 11.823 12.477 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.735 10.678 9.891 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.706 11.163 11.266 1.00 0.00 H new ATOM 0 HG SER A 19 -14.095 12.491 9.405 1.00 0.00 H new ATOM 305 N PRO A 20 -11.031 9.421 12.013 1.00 0.00 N ATOM 306 CA PRO A 20 -10.243 8.185 11.993 1.00 0.00 C ATOM 307 C PRO A 20 -10.351 7.451 10.660 1.00 0.00 C ATOM 308 O PRO A 20 -9.626 6.488 10.411 1.00 0.00 O ATOM 309 CB PRO A 20 -10.865 7.349 13.115 1.00 0.00 C ATOM 310 CG PRO A 20 -12.261 7.856 13.235 1.00 0.00 C ATOM 311 CD PRO A 20 -12.200 9.321 12.903 1.00 0.00 C ATOM 0 HA PRO A 20 -9.179 8.378 12.127 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.849 6.286 12.873 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.318 7.471 14.050 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.928 7.329 12.553 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -12.648 7.700 14.242 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.111 9.659 12.409 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.077 9.931 13.798 1.00 0.00 H new ATOM 319 N ARG A 21 -11.259 7.914 9.807 1.00 0.00 N ATOM 320 CA ARG A 21 -11.461 7.301 8.500 1.00 0.00 C ATOM 321 C ARG A 21 -10.612 7.994 7.437 1.00 0.00 C ATOM 322 O ARG A 21 -10.248 7.389 6.429 1.00 0.00 O ATOM 323 CB ARG A 21 -12.938 7.362 8.107 1.00 0.00 C ATOM 324 CG ARG A 21 -13.386 6.195 7.241 1.00 0.00 C ATOM 325 CD ARG A 21 -14.880 6.251 6.962 1.00 0.00 C ATOM 326 NE ARG A 21 -15.658 5.602 8.015 1.00 0.00 N ATOM 327 CZ ARG A 21 -16.915 5.203 7.859 1.00 0.00 C ATOM 328 NH1 ARG A 21 -17.534 5.385 6.701 1.00 0.00 N ATOM 329 NH2 ARG A 21 -17.557 4.620 8.864 1.00 0.00 N ATOM 0 H ARG A 21 -11.866 8.711 9.998 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.152 6.258 8.565 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.545 7.386 9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.125 8.293 7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.838 6.208 6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.142 5.256 7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.193 7.291 6.869 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.089 5.769 6.007 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.211 5.447 8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.045 5.833 5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.499 5.077 6.585 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.085 4.478 9.757 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.522 4.314 8.743 1.00 0.00 H new ATOM 343 N GLU A 22 -10.302 9.265 7.671 1.00 0.00 N ATOM 344 CA GLU A 22 -9.498 10.040 6.733 1.00 0.00 C ATOM 345 C GLU A 22 -8.010 9.782 6.950 1.00 0.00 C ATOM 346 O GLU A 22 -7.614 9.156 7.934 1.00 0.00 O ATOM 347 CB GLU A 22 -9.795 11.533 6.884 1.00 0.00 C ATOM 348 CG GLU A 22 -11.244 11.896 6.607 1.00 0.00 C ATOM 349 CD GLU A 22 -11.419 13.357 6.240 1.00 0.00 C ATOM 350 OE1 GLU A 22 -10.398 14.067 6.131 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.577 13.790 6.061 1.00 0.00 O ATOM 0 H GLU A 22 -10.595 9.780 8.501 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.761 9.725 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.538 11.845 7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.153 12.093 6.205 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.622 11.274 5.796 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.846 11.672 7.488 1.00 0.00 H new ATOM 358 N VAL A 23 -7.189 10.268 6.024 1.00 0.00 N ATOM 359 CA VAL A 23 -5.745 10.091 6.114 1.00 0.00 C ATOM 360 C VAL A 23 -5.017 11.419 5.937 1.00 0.00 C ATOM 361 O VAL A 23 -5.428 12.265 5.142 1.00 0.00 O ATOM 362 CB VAL A 23 -5.235 9.094 5.056 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.754 7.694 5.348 1.00 0.00 C ATOM 364 CG2 VAL A 23 -5.644 9.542 3.661 1.00 0.00 C ATOM 0 H VAL A 23 -7.500 10.787 5.203 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.536 9.694 7.107 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.146 9.069 5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.384 7.003 4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.407 7.375 6.331 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.844 7.699 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.275 8.826 2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.731 9.597 3.601 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.219 10.524 3.455 1.00 0.00 H new ATOM 374 N THR A 24 -3.931 11.596 6.683 1.00 0.00 N ATOM 375 CA THR A 24 -3.145 12.821 6.610 1.00 0.00 C ATOM 376 C THR A 24 -2.116 12.748 5.487 1.00 0.00 C ATOM 377 O THR A 24 -1.277 11.848 5.458 1.00 0.00 O ATOM 378 CB THR A 24 -2.418 13.102 7.938 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.371 13.257 8.995 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.562 14.355 7.832 1.00 0.00 C ATOM 0 H THR A 24 -3.576 10.906 7.345 1.00 0.00 H new ATOM 0 HA THR A 24 -3.844 13.633 6.408 1.00 0.00 H new ATOM 0 HB THR A 24 -1.768 12.255 8.157 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.287 12.510 9.624 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.058 14.533 8.782 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.818 14.222 7.046 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.195 15.209 7.591 1.00 0.00 H new ATOM 388 N MET A 25 -2.188 13.700 4.563 1.00 0.00 N ATOM 389 CA MET A 25 -1.260 13.744 3.438 1.00 0.00 C ATOM 390 C MET A 25 -0.559 15.097 3.364 1.00 0.00 C ATOM 391 O MET A 25 -1.051 16.093 3.894 1.00 0.00 O ATOM 392 CB MET A 25 -2.001 13.469 2.128 1.00 0.00 C ATOM 393 CG MET A 25 -3.221 14.352 1.922 1.00 0.00 C ATOM 394 SD MET A 25 -4.028 14.064 0.336 1.00 0.00 S ATOM 395 CE MET A 25 -4.730 15.680 0.014 1.00 0.00 C ATOM 0 H MET A 25 -2.878 14.451 4.570 1.00 0.00 H new ATOM 0 HA MET A 25 -0.506 12.972 3.590 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.314 13.613 1.294 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.311 12.424 2.108 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.935 14.172 2.726 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.923 15.398 1.989 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.522 15.591 -0.729 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.142 16.088 0.937 1.00 0.00 H new ATOM 0 HE3 MET A 25 -3.953 16.346 -0.362 1.00 0.00 H new ATOM 405 N LYS A 26 0.594 15.125 2.704 1.00 0.00 N ATOM 406 CA LYS A 26 1.364 16.355 2.560 1.00 0.00 C ATOM 407 C LYS A 26 1.952 16.468 1.157 1.00 0.00 C ATOM 408 O LYS A 26 2.136 15.464 0.467 1.00 0.00 O ATOM 409 CB LYS A 26 2.485 16.404 3.600 1.00 0.00 C ATOM 410 CG LYS A 26 3.561 15.354 3.384 1.00 0.00 C ATOM 411 CD LYS A 26 4.517 15.284 4.564 1.00 0.00 C ATOM 412 CE LYS A 26 5.382 16.532 4.655 1.00 0.00 C ATOM 413 NZ LYS A 26 6.435 16.401 5.700 1.00 0.00 N ATOM 0 H LYS A 26 1.016 14.309 2.260 1.00 0.00 H new ATOM 0 HA LYS A 26 0.690 17.197 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.944 17.392 3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.054 16.272 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.095 14.380 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.118 15.584 2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.949 15.165 5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.154 14.405 4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.850 16.721 3.689 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.754 17.394 4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.003 17.271 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.988 16.246 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.050 15.594 5.473 1.00 0.00 H new ATOM 427 N LYS A 27 2.247 17.694 0.741 1.00 0.00 N ATOM 428 CA LYS A 27 2.817 17.939 -0.579 1.00 0.00 C ATOM 429 C LYS A 27 4.037 17.054 -0.817 1.00 0.00 C ATOM 430 O LYS A 27 5.108 17.294 -0.262 1.00 0.00 O ATOM 431 CB LYS A 27 3.207 19.412 -0.724 1.00 0.00 C ATOM 432 CG LYS A 27 3.936 19.970 0.486 1.00 0.00 C ATOM 433 CD LYS A 27 3.045 20.897 1.296 1.00 0.00 C ATOM 434 CE LYS A 27 2.755 22.187 0.545 1.00 0.00 C ATOM 435 NZ LYS A 27 3.948 23.076 0.489 1.00 0.00 N ATOM 0 H LYS A 27 2.101 18.535 1.299 1.00 0.00 H new ATOM 0 HA LYS A 27 2.061 17.695 -1.325 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.840 19.527 -1.604 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.307 20.002 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.277 19.149 1.117 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.824 20.511 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.108 20.391 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.527 21.128 2.246 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.429 21.952 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.933 22.713 1.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.672 24.003 0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.335 23.198 1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.671 22.649 -0.125 1.00 0.00 H new ATOM 449 N GLY A 28 3.866 16.029 -1.647 1.00 0.00 N ATOM 450 CA GLY A 28 4.961 15.125 -1.945 1.00 0.00 C ATOM 451 C GLY A 28 4.612 13.678 -1.662 1.00 0.00 C ATOM 452 O GLY A 28 5.253 12.764 -2.181 1.00 0.00 O ATOM 0 H GLY A 28 2.988 15.809 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.239 15.230 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.832 15.408 -1.354 1.00 0.00 H new ATOM 456 N ASP A 29 3.593 13.468 -0.836 1.00 0.00 N ATOM 457 CA ASP A 29 3.159 12.121 -0.484 1.00 0.00 C ATOM 458 C ASP A 29 2.468 11.446 -1.665 1.00 0.00 C ATOM 459 O ASP A 29 2.094 12.104 -2.636 1.00 0.00 O ATOM 460 CB ASP A 29 2.215 12.164 0.719 1.00 0.00 C ATOM 461 CG ASP A 29 2.347 10.939 1.603 1.00 0.00 C ATOM 462 OD1 ASP A 29 3.475 10.651 2.052 1.00 0.00 O ATOM 463 OD2 ASP A 29 1.321 10.268 1.844 1.00 0.00 O ATOM 0 H ASP A 29 3.052 14.213 -0.398 1.00 0.00 H new ATOM 0 HA ASP A 29 4.042 11.538 -0.222 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.422 13.057 1.308 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.187 12.246 0.367 1.00 0.00 H new ATOM 468 N ILE A 30 2.303 10.131 -1.574 1.00 0.00 N ATOM 469 CA ILE A 30 1.657 9.368 -2.636 1.00 0.00 C ATOM 470 C ILE A 30 0.741 8.293 -2.060 1.00 0.00 C ATOM 471 O ILE A 30 1.137 7.533 -1.176 1.00 0.00 O ATOM 472 CB ILE A 30 2.693 8.703 -3.561 1.00 0.00 C ATOM 473 CG1 ILE A 30 3.755 9.718 -3.987 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.006 8.103 -4.779 1.00 0.00 C ATOM 475 CD1 ILE A 30 4.954 9.761 -3.067 1.00 0.00 C ATOM 0 H ILE A 30 2.607 9.572 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 30 1.064 10.074 -3.217 1.00 0.00 H new ATOM 0 HB ILE A 30 3.186 7.900 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.090 9.479 -4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.303 10.709 -4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 30 2.751 7.636 -5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.284 7.353 -4.457 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.490 8.889 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.665 10.503 -3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.631 10.030 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.431 8.781 -3.045 1.00 0.00 H new ATOM 487 N LEU A 31 -0.485 8.234 -2.569 1.00 0.00 N ATOM 488 CA LEU A 31 -1.458 7.251 -2.108 1.00 0.00 C ATOM 489 C LEU A 31 -1.993 6.425 -3.274 1.00 0.00 C ATOM 490 O LEU A 31 -1.795 6.774 -4.438 1.00 0.00 O ATOM 491 CB LEU A 31 -2.615 7.947 -1.389 1.00 0.00 C ATOM 492 CG LEU A 31 -2.224 8.967 -0.319 1.00 0.00 C ATOM 493 CD1 LEU A 31 -2.066 10.350 -0.932 1.00 0.00 C ATOM 494 CD2 LEU A 31 -3.257 8.992 0.798 1.00 0.00 C ATOM 0 H LEU A 31 -0.828 8.856 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.956 6.580 -1.411 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.230 8.451 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.239 7.184 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.266 8.669 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.788 11.063 -0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.288 10.323 -1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.009 10.657 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.962 9.724 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.229 9.265 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.321 8.005 1.257 1.00 0.00 H new ATOM 506 N THR A 32 -2.673 5.329 -2.954 1.00 0.00 N ATOM 507 CA THR A 32 -3.237 4.454 -3.974 1.00 0.00 C ATOM 508 C THR A 32 -4.718 4.742 -4.187 1.00 0.00 C ATOM 509 O THR A 32 -5.561 4.344 -3.382 1.00 0.00 O ATOM 510 CB THR A 32 -3.063 2.970 -3.600 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.677 2.675 -3.395 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.624 2.068 -4.689 1.00 0.00 C ATOM 0 H THR A 32 -2.847 5.026 -1.996 1.00 0.00 H new ATOM 0 HA THR A 32 -2.694 4.654 -4.898 1.00 0.00 H new ATOM 0 HB THR A 32 -3.613 2.784 -2.678 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.576 1.730 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.490 1.025 -4.402 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.686 2.274 -4.821 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.099 2.258 -5.625 1.00 0.00 H new ATOM 520 N LEU A 33 -5.030 5.436 -5.276 1.00 0.00 N ATOM 521 CA LEU A 33 -6.412 5.778 -5.597 1.00 0.00 C ATOM 522 C LEU A 33 -7.294 4.533 -5.600 1.00 0.00 C ATOM 523 O LEU A 33 -7.152 3.661 -6.458 1.00 0.00 O ATOM 524 CB LEU A 33 -6.484 6.471 -6.958 1.00 0.00 C ATOM 525 CG LEU A 33 -7.517 7.592 -7.086 1.00 0.00 C ATOM 526 CD1 LEU A 33 -8.889 7.106 -6.646 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.091 8.805 -6.272 1.00 0.00 C ATOM 0 H LEU A 33 -4.345 5.773 -5.952 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.779 6.460 -4.830 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.501 6.882 -7.187 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.699 5.718 -7.716 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.578 7.887 -8.134 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.611 7.917 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.197 6.269 -7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.844 6.784 -5.606 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.838 9.593 -6.375 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.001 8.525 -5.222 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.129 9.167 -6.635 1.00 0.00 H new ATOM 539 N LEU A 34 -8.206 4.458 -4.637 1.00 0.00 N ATOM 540 CA LEU A 34 -9.113 3.321 -4.530 1.00 0.00 C ATOM 541 C LEU A 34 -10.471 3.649 -5.143 1.00 0.00 C ATOM 542 O LEU A 34 -11.120 2.788 -5.735 1.00 0.00 O ATOM 543 CB LEU A 34 -9.287 2.918 -3.064 1.00 0.00 C ATOM 544 CG LEU A 34 -9.255 1.418 -2.772 1.00 0.00 C ATOM 545 CD1 LEU A 34 -7.944 0.809 -3.248 1.00 0.00 C ATOM 546 CD2 LEU A 34 -9.457 1.159 -1.287 1.00 0.00 C ATOM 0 H LEU A 34 -8.337 5.171 -3.919 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.678 2.487 -5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.502 3.398 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.237 3.317 -2.709 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.071 0.944 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.939 -0.259 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.840 0.962 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.112 1.287 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.431 0.086 -1.098 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.663 1.646 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.422 1.559 -0.976 1.00 0.00 H new ATOM 558 N ASN A 35 -10.894 4.900 -4.997 1.00 0.00 N ATOM 559 CA ASN A 35 -12.174 5.343 -5.538 1.00 0.00 C ATOM 560 C ASN A 35 -12.140 6.831 -5.870 1.00 0.00 C ATOM 561 O ASN A 35 -11.967 7.671 -4.986 1.00 0.00 O ATOM 562 CB ASN A 35 -13.299 5.057 -4.541 1.00 0.00 C ATOM 563 CG ASN A 35 -14.512 4.431 -5.201 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.095 3.480 -4.680 1.00 0.00 O ATOM 565 ND2 ASN A 35 -14.898 4.963 -6.355 1.00 0.00 N ATOM 0 H ASN A 35 -10.369 5.625 -4.508 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.362 4.789 -6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.929 4.391 -3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.593 5.986 -4.053 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.708 4.584 -6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.385 5.751 -6.750 1.00 0.00 H new ATOM 572 N SER A 36 -12.305 7.151 -7.149 1.00 0.00 N ATOM 573 CA SER A 36 -12.290 8.538 -7.599 1.00 0.00 C ATOM 574 C SER A 36 -13.631 8.924 -8.216 1.00 0.00 C ATOM 575 O SER A 36 -13.704 9.812 -9.067 1.00 0.00 O ATOM 576 CB SER A 36 -11.167 8.755 -8.615 1.00 0.00 C ATOM 577 OG SER A 36 -10.856 7.551 -9.296 1.00 0.00 O ATOM 0 H SER A 36 -12.451 6.468 -7.893 1.00 0.00 H new ATOM 0 HA SER A 36 -12.113 9.173 -6.731 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.466 9.517 -9.335 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.279 9.128 -8.106 1.00 0.00 H new ATOM 0 HG SER A 36 -10.137 7.716 -9.941 1.00 0.00 H new ATOM 583 N THR A 37 -14.691 8.250 -7.783 1.00 0.00 N ATOM 584 CA THR A 37 -16.030 8.519 -8.292 1.00 0.00 C ATOM 585 C THR A 37 -16.404 9.985 -8.105 1.00 0.00 C ATOM 586 O THR A 37 -17.181 10.541 -8.880 1.00 0.00 O ATOM 587 CB THR A 37 -17.084 7.639 -7.595 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.371 7.859 -8.183 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.143 7.943 -6.105 1.00 0.00 C ATOM 0 H THR A 37 -14.648 7.512 -7.080 1.00 0.00 H new ATOM 0 HA THR A 37 -16.017 8.282 -9.356 1.00 0.00 H new ATOM 0 HB THR A 37 -16.798 6.595 -7.726 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.036 7.295 -7.736 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.894 7.309 -5.634 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.170 7.748 -5.655 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.407 8.990 -5.957 1.00 0.00 H new ATOM 597 N ASN A 38 -15.844 10.607 -7.072 1.00 0.00 N ATOM 598 CA ASN A 38 -16.120 12.010 -6.784 1.00 0.00 C ATOM 599 C ASN A 38 -15.047 12.910 -7.388 1.00 0.00 C ATOM 600 O ASN A 38 -13.973 12.445 -7.770 1.00 0.00 O ATOM 601 CB ASN A 38 -16.199 12.236 -5.273 1.00 0.00 C ATOM 602 CG ASN A 38 -17.626 12.392 -4.785 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.317 11.407 -4.525 1.00 0.00 O ATOM 604 ND2 ASN A 38 -18.075 13.636 -4.660 1.00 0.00 N ATOM 0 H ASN A 38 -15.197 10.162 -6.421 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.079 12.266 -7.234 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -15.732 11.397 -4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.629 13.128 -5.012 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -19.028 13.804 -4.337 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.467 14.423 -4.887 1.00 0.00 H new ATOM 611 N LYS A 39 -15.344 14.202 -7.472 1.00 0.00 N ATOM 612 CA LYS A 39 -14.406 15.170 -8.027 1.00 0.00 C ATOM 613 C LYS A 39 -13.749 15.989 -6.921 1.00 0.00 C ATOM 614 O LYS A 39 -12.610 16.436 -7.059 1.00 0.00 O ATOM 615 CB LYS A 39 -15.123 16.101 -9.008 1.00 0.00 C ATOM 616 CG LYS A 39 -16.315 16.820 -8.402 1.00 0.00 C ATOM 617 CD LYS A 39 -17.045 17.659 -9.438 1.00 0.00 C ATOM 618 CE LYS A 39 -17.967 16.807 -10.297 1.00 0.00 C ATOM 619 NZ LYS A 39 -17.254 16.226 -11.468 1.00 0.00 N ATOM 0 H LYS A 39 -16.229 14.604 -7.162 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.629 14.621 -8.558 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.413 16.840 -9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.458 15.521 -9.868 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.002 16.090 -7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.979 17.459 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.626 18.433 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.319 18.166 -10.074 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.387 16.003 -9.692 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.803 17.414 -10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.852 16.308 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.363 16.740 -11.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.048 15.223 -11.286 1.00 0.00 H new ATOM 633 N ASP A 40 -14.473 16.180 -5.823 1.00 0.00 N ATOM 634 CA ASP A 40 -13.959 16.942 -4.691 1.00 0.00 C ATOM 635 C ASP A 40 -13.276 16.024 -3.683 1.00 0.00 C ATOM 636 O ASP A 40 -12.145 16.275 -3.267 1.00 0.00 O ATOM 637 CB ASP A 40 -15.092 17.714 -4.012 1.00 0.00 C ATOM 638 CG ASP A 40 -15.830 18.625 -4.974 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.354 19.756 -5.202 1.00 0.00 O ATOM 640 OD2 ASP A 40 -16.883 18.206 -5.498 1.00 0.00 O ATOM 0 H ASP A 40 -15.418 15.817 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.221 17.651 -5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.796 17.008 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.684 18.308 -3.194 1.00 0.00 H new ATOM 645 N TRP A 41 -13.971 14.962 -3.293 1.00 0.00 N ATOM 646 CA TRP A 41 -13.432 14.007 -2.331 1.00 0.00 C ATOM 647 C TRP A 41 -12.946 12.743 -3.033 1.00 0.00 C ATOM 648 O TRP A 41 -13.724 12.044 -3.680 1.00 0.00 O ATOM 649 CB TRP A 41 -14.491 13.649 -1.287 1.00 0.00 C ATOM 650 CG TRP A 41 -14.817 14.781 -0.360 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.959 15.529 -0.349 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.989 15.294 0.690 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.892 16.476 0.644 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.694 16.352 1.297 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.723 14.961 1.178 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -14.172 17.078 2.364 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -12.206 15.683 2.237 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.930 16.731 2.821 1.00 0.00 C ATOM 0 H TRP A 41 -14.909 14.740 -3.628 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.583 14.473 -1.832 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.401 13.332 -1.797 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.141 12.799 -0.702 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.793 15.396 -1.022 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.617 17.160 0.860 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -12.158 14.154 0.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.728 17.887 2.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -11.227 15.435 2.621 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.499 17.276 3.648 1.00 0.00 H new ATOM 669 N TRP A 42 -11.656 12.458 -2.900 1.00 0.00 N ATOM 670 CA TRP A 42 -11.067 11.277 -3.522 1.00 0.00 C ATOM 671 C TRP A 42 -10.703 10.233 -2.472 1.00 0.00 C ATOM 672 O TRP A 42 -10.101 10.551 -1.447 1.00 0.00 O ATOM 673 CB TRP A 42 -9.824 11.665 -4.325 1.00 0.00 C ATOM 674 CG TRP A 42 -10.129 12.058 -5.739 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.358 12.335 -6.266 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.188 12.215 -6.806 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.238 12.655 -7.596 1.00 0.00 N ATOM 678 CE2 TRP A 42 -9.916 12.589 -7.952 1.00 0.00 C ATOM 679 CE3 TRP A 42 -7.800 12.078 -6.905 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.303 12.826 -9.179 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.193 12.313 -8.124 1.00 0.00 C ATOM 682 CH2 TRP A 42 -7.944 12.685 -9.248 1.00 0.00 C ATOM 0 H TRP A 42 -10.998 13.027 -2.368 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.807 10.845 -4.196 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.322 12.493 -3.826 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.128 10.827 -4.331 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.288 12.307 -5.717 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.008 12.902 -8.218 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.213 11.794 -6.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.880 13.111 -10.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.122 12.208 -8.212 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.440 12.864 -10.186 1.00 0.00 H new ATOM 693 N LYS A 43 -11.073 8.984 -2.734 1.00 0.00 N ATOM 694 CA LYS A 43 -10.785 7.891 -1.813 1.00 0.00 C ATOM 695 C LYS A 43 -9.486 7.187 -2.193 1.00 0.00 C ATOM 696 O LYS A 43 -9.403 6.535 -3.234 1.00 0.00 O ATOM 697 CB LYS A 43 -11.939 6.885 -1.805 1.00 0.00 C ATOM 698 CG LYS A 43 -13.311 7.535 -1.746 1.00 0.00 C ATOM 699 CD LYS A 43 -14.413 6.498 -1.610 1.00 0.00 C ATOM 700 CE LYS A 43 -15.709 6.975 -2.247 1.00 0.00 C ATOM 701 NZ LYS A 43 -16.213 8.224 -1.611 1.00 0.00 N ATOM 0 H LYS A 43 -11.573 8.703 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.671 8.312 -0.814 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.877 6.267 -2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.824 6.220 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.352 8.224 -0.902 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.474 8.125 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.097 5.566 -2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.583 6.282 -0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.548 7.149 -3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -16.464 6.194 -2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.111 8.028 -1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.514 8.570 -0.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -16.367 8.948 -2.342 1.00 0.00 H new ATOM 715 N VAL A 44 -8.474 7.321 -1.341 1.00 0.00 N ATOM 716 CA VAL A 44 -7.180 6.696 -1.587 1.00 0.00 C ATOM 717 C VAL A 44 -6.813 5.734 -0.463 1.00 0.00 C ATOM 718 O VAL A 44 -7.386 5.787 0.625 1.00 0.00 O ATOM 719 CB VAL A 44 -6.066 7.750 -1.731 1.00 0.00 C ATOM 720 CG1 VAL A 44 -5.998 8.263 -3.161 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.287 8.895 -0.755 1.00 0.00 C ATOM 0 H VAL A 44 -8.526 7.857 -0.475 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.268 6.142 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.112 7.280 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.205 9.007 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.788 7.433 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.951 8.718 -3.430 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.491 9.630 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.249 9.366 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.280 8.510 0.265 1.00 0.00 H new ATOM 731 N GLU A 45 -5.853 4.855 -0.734 1.00 0.00 N ATOM 732 CA GLU A 45 -5.409 3.880 0.256 1.00 0.00 C ATOM 733 C GLU A 45 -3.995 4.196 0.734 1.00 0.00 C ATOM 734 O GLU A 45 -3.107 4.489 -0.066 1.00 0.00 O ATOM 735 CB GLU A 45 -5.458 2.467 -0.330 1.00 0.00 C ATOM 736 CG GLU A 45 -5.724 1.388 0.705 1.00 0.00 C ATOM 737 CD GLU A 45 -6.047 0.045 0.078 1.00 0.00 C ATOM 738 OE1 GLU A 45 -5.687 -0.162 -1.099 1.00 0.00 O ATOM 739 OE2 GLU A 45 -6.660 -0.798 0.766 1.00 0.00 O ATOM 0 H GLU A 45 -5.368 4.798 -1.630 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.083 3.935 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.235 2.426 -1.093 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.511 2.256 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.850 1.284 1.348 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.553 1.697 1.341 1.00 0.00 H new ATOM 746 N VAL A 46 -3.794 4.134 2.047 1.00 0.00 N ATOM 747 CA VAL A 46 -2.488 4.413 2.634 1.00 0.00 C ATOM 748 C VAL A 46 -1.873 3.151 3.228 1.00 0.00 C ATOM 749 O VAL A 46 -2.467 2.074 3.178 1.00 0.00 O ATOM 750 CB VAL A 46 -2.584 5.490 3.731 1.00 0.00 C ATOM 751 CG1 VAL A 46 -3.038 6.816 3.139 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.526 5.040 4.837 1.00 0.00 C ATOM 0 H VAL A 46 -4.518 3.893 2.724 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.851 4.781 1.830 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.594 5.633 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.100 7.565 3.929 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.322 7.142 2.385 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.018 6.692 2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.582 5.813 5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.519 4.868 4.422 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.153 4.116 5.279 1.00 0.00 H new ATOM 762 N LYS A 47 -0.678 3.291 3.791 1.00 0.00 N ATOM 763 CA LYS A 47 0.020 2.164 4.398 1.00 0.00 C ATOM 764 C LYS A 47 0.582 2.543 5.765 1.00 0.00 C ATOM 765 O LYS A 47 1.428 3.431 5.873 1.00 0.00 O ATOM 766 CB LYS A 47 1.151 1.686 3.485 1.00 0.00 C ATOM 767 CG LYS A 47 1.470 0.209 3.632 1.00 0.00 C ATOM 768 CD LYS A 47 2.142 -0.344 2.387 1.00 0.00 C ATOM 769 CE LYS A 47 1.946 -1.848 2.268 1.00 0.00 C ATOM 770 NZ LYS A 47 2.196 -2.333 0.883 1.00 0.00 N ATOM 0 H LYS A 47 -0.172 4.175 3.840 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.698 1.355 4.532 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.880 1.889 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.049 2.266 3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.121 0.061 4.494 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.552 -0.345 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.735 0.148 1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.208 -0.116 2.416 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.619 -2.357 2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.930 -2.106 2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.052 -3.362 0.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.537 -1.866 0.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.174 -2.110 0.608 1.00 0.00 H new ATOM 784 N ILE A 48 0.107 1.864 6.803 1.00 0.00 N ATOM 785 CA ILE A 48 0.564 2.129 8.162 1.00 0.00 C ATOM 786 C ILE A 48 1.225 0.896 8.770 1.00 0.00 C ATOM 787 O ILE A 48 0.602 -0.159 8.893 1.00 0.00 O ATOM 788 CB ILE A 48 -0.597 2.575 9.070 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.262 3.832 8.503 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.097 2.827 10.484 1.00 0.00 C ATOM 791 CD1 ILE A 48 -2.353 3.536 7.498 1.00 0.00 C ATOM 0 H ILE A 48 -0.594 1.127 6.730 1.00 0.00 H new ATOM 0 HA ILE A 48 1.294 2.936 8.097 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.339 1.777 9.105 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.683 4.413 9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.502 4.454 8.030 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.929 3.142 11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.336 1.911 10.886 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.661 3.610 10.468 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.780 4.472 7.138 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.934 2.982 6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.133 2.940 7.972 1.00 0.00 H new ATOM 803 N THR A 49 2.491 1.036 9.150 1.00 0.00 N ATOM 804 CA THR A 49 3.236 -0.065 9.746 1.00 0.00 C ATOM 805 C THR A 49 3.108 -0.058 11.265 1.00 0.00 C ATOM 806 O THR A 49 3.535 0.886 11.929 1.00 0.00 O ATOM 807 CB THR A 49 4.728 -0.004 9.367 1.00 0.00 C ATOM 808 OG1 THR A 49 4.876 -0.070 7.945 1.00 0.00 O ATOM 809 CG2 THR A 49 5.499 -1.143 10.016 1.00 0.00 C ATOM 0 H THR A 49 3.022 1.902 9.055 1.00 0.00 H new ATOM 0 HA THR A 49 2.806 -0.986 9.353 1.00 0.00 H new ATOM 0 HB THR A 49 5.133 0.941 9.730 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.827 -0.029 7.713 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.550 -1.079 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.410 -1.072 11.100 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.091 -2.096 9.680 1.00 0.00 H new ATOM 817 N VAL A 50 2.518 -1.117 11.810 1.00 0.00 N ATOM 818 CA VAL A 50 2.335 -1.233 13.251 1.00 0.00 C ATOM 819 C VAL A 50 2.889 -2.555 13.771 1.00 0.00 C ATOM 820 O VAL A 50 2.545 -3.624 13.269 1.00 0.00 O ATOM 821 CB VAL A 50 0.849 -1.124 13.639 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.681 -1.226 15.148 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.255 0.175 13.116 1.00 0.00 C ATOM 0 H VAL A 50 2.159 -1.907 11.274 1.00 0.00 H new ATOM 0 HA VAL A 50 2.883 -0.408 13.707 1.00 0.00 H new ATOM 0 HB VAL A 50 0.311 -1.954 13.180 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.376 -1.147 15.403 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.066 -2.185 15.493 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.232 -0.419 15.631 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.796 0.235 13.400 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.795 1.020 13.543 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.340 0.202 12.030 1.00 0.00 H new ATOM 833 N ASN A 51 3.749 -2.473 14.781 1.00 0.00 N ATOM 834 CA ASN A 51 4.352 -3.664 15.370 1.00 0.00 C ATOM 835 C ASN A 51 5.028 -4.516 14.300 1.00 0.00 C ATOM 836 O ASN A 51 5.020 -5.744 14.373 1.00 0.00 O ATOM 837 CB ASN A 51 3.291 -4.489 16.101 1.00 0.00 C ATOM 838 CG ASN A 51 2.470 -3.653 17.063 1.00 0.00 C ATOM 839 OD1 ASN A 51 2.838 -2.526 17.393 1.00 0.00 O ATOM 840 ND2 ASN A 51 1.351 -4.204 17.518 1.00 0.00 N ATOM 0 H ASN A 51 4.044 -1.595 15.209 1.00 0.00 H new ATOM 0 HA ASN A 51 5.109 -3.343 16.085 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.628 -4.953 15.370 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.776 -5.297 16.649 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.757 -3.690 18.169 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.085 -5.142 17.217 1.00 0.00 H new ATOM 847 N GLY A 52 5.615 -3.855 13.307 1.00 0.00 N ATOM 848 CA GLY A 52 6.288 -4.568 12.237 1.00 0.00 C ATOM 849 C GLY A 52 5.317 -5.198 11.259 1.00 0.00 C ATOM 850 O GLY A 52 5.672 -6.122 10.528 1.00 0.00 O ATOM 0 H GLY A 52 5.636 -2.839 13.224 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.943 -3.880 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 52 6.923 -5.344 12.665 1.00 0.00 H new ATOM 854 N LYS A 53 4.086 -4.698 11.246 1.00 0.00 N ATOM 855 CA LYS A 53 3.058 -5.218 10.351 1.00 0.00 C ATOM 856 C LYS A 53 2.425 -4.093 9.539 1.00 0.00 C ATOM 857 O LYS A 53 1.797 -3.189 10.092 1.00 0.00 O ATOM 858 CB LYS A 53 1.980 -5.952 11.151 1.00 0.00 C ATOM 859 CG LYS A 53 2.518 -7.105 11.981 1.00 0.00 C ATOM 860 CD LYS A 53 3.063 -8.219 11.102 1.00 0.00 C ATOM 861 CE LYS A 53 3.549 -9.397 11.931 1.00 0.00 C ATOM 862 NZ LYS A 53 3.998 -10.530 11.076 1.00 0.00 N ATOM 0 H LYS A 53 3.776 -3.933 11.845 1.00 0.00 H new ATOM 0 HA LYS A 53 3.531 -5.918 9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.482 -5.242 11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.224 -6.332 10.463 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.306 -6.743 12.641 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.725 -7.498 12.617 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.287 -8.553 10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.884 -7.836 10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.372 -9.076 12.570 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.747 -9.734 12.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.322 -11.313 11.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.206 -10.853 10.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.780 -10.216 10.467 1.00 0.00 H new ATOM 876 N THR A 54 2.593 -4.153 8.221 1.00 0.00 N ATOM 877 CA THR A 54 2.037 -3.140 7.333 1.00 0.00 C ATOM 878 C THR A 54 0.538 -3.337 7.144 1.00 0.00 C ATOM 879 O THR A 54 0.079 -4.440 6.847 1.00 0.00 O ATOM 880 CB THR A 54 2.724 -3.165 5.954 1.00 0.00 C ATOM 881 OG1 THR A 54 3.219 -4.480 5.676 1.00 0.00 O ATOM 882 CG2 THR A 54 3.870 -2.165 5.902 1.00 0.00 C ATOM 0 H THR A 54 3.110 -4.893 7.746 1.00 0.00 H new ATOM 0 HA THR A 54 2.217 -2.174 7.804 1.00 0.00 H new ATOM 0 HB THR A 54 1.986 -2.888 5.201 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.652 -4.487 4.797 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.340 -2.201 4.919 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.486 -1.161 6.084 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.607 -2.416 6.665 1.00 0.00 H new ATOM 890 N TYR A 55 -0.222 -2.261 7.318 1.00 0.00 N ATOM 891 CA TYR A 55 -1.671 -2.316 7.168 1.00 0.00 C ATOM 892 C TYR A 55 -2.155 -1.274 6.164 1.00 0.00 C ATOM 893 O TYR A 55 -1.584 -0.190 6.055 1.00 0.00 O ATOM 894 CB TYR A 55 -2.353 -2.093 8.519 1.00 0.00 C ATOM 895 CG TYR A 55 -2.056 -3.175 9.533 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.755 -4.376 9.522 1.00 0.00 C ATOM 897 CD2 TYR A 55 -1.076 -2.997 10.502 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.488 -5.366 10.446 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.801 -3.982 11.430 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.510 -5.165 11.398 1.00 0.00 C ATOM 901 OH TYR A 55 -1.240 -6.150 12.320 1.00 0.00 O ATOM 0 H TYR A 55 0.142 -1.340 7.563 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.935 -3.305 6.794 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -2.036 -1.132 8.923 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.431 -2.035 8.367 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.521 -4.538 8.777 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.520 -2.072 10.530 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.042 -6.293 10.424 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.036 -3.827 12.176 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.524 -5.851 12.918 1.00 0.00 H new ATOM 911 N GLU A 56 -3.213 -1.613 5.433 1.00 0.00 N ATOM 912 CA GLU A 56 -3.774 -0.708 4.437 1.00 0.00 C ATOM 913 C GLU A 56 -5.168 -0.244 4.849 1.00 0.00 C ATOM 914 O GLU A 56 -5.990 -1.039 5.305 1.00 0.00 O ATOM 915 CB GLU A 56 -3.835 -1.393 3.070 1.00 0.00 C ATOM 916 CG GLU A 56 -2.481 -1.858 2.561 1.00 0.00 C ATOM 917 CD GLU A 56 -2.184 -3.299 2.927 1.00 0.00 C ATOM 918 OE1 GLU A 56 -3.033 -4.170 2.646 1.00 0.00 O ATOM 919 OE2 GLU A 56 -1.101 -3.556 3.494 1.00 0.00 O ATOM 0 H GLU A 56 -3.698 -2.507 5.512 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.125 0.165 4.369 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.504 -2.251 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.268 -0.703 2.346 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.447 -1.748 1.477 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.702 -1.215 2.971 1.00 0.00 H new ATOM 926 N ARG A 57 -5.427 1.050 4.685 1.00 0.00 N ATOM 927 CA ARG A 57 -6.720 1.621 5.040 1.00 0.00 C ATOM 928 C ARG A 57 -7.149 2.672 4.021 1.00 0.00 C ATOM 929 O ARG A 57 -6.324 3.197 3.273 1.00 0.00 O ATOM 930 CB ARG A 57 -6.660 2.244 6.437 1.00 0.00 C ATOM 931 CG ARG A 57 -5.642 3.366 6.560 1.00 0.00 C ATOM 932 CD ARG A 57 -5.533 3.864 7.992 1.00 0.00 C ATOM 933 NE ARG A 57 -5.182 5.281 8.053 1.00 0.00 N ATOM 934 CZ ARG A 57 -5.393 6.045 9.120 1.00 0.00 C ATOM 935 NH1 ARG A 57 -5.948 5.530 10.208 1.00 0.00 N ATOM 936 NH2 ARG A 57 -5.047 7.325 9.099 1.00 0.00 N ATOM 0 H ARG A 57 -4.758 1.722 4.309 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.456 0.817 5.039 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.646 2.629 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.421 1.466 7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.668 3.014 6.221 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.927 4.191 5.907 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.481 3.703 8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.780 3.281 8.522 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.752 5.707 7.232 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.214 4.546 10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.109 6.118 11.026 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.619 7.724 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.209 7.911 9.918 1.00 0.00 H new ATOM 950 N GLN A 58 -8.443 2.974 3.998 1.00 0.00 N ATOM 951 CA GLN A 58 -8.980 3.962 3.070 1.00 0.00 C ATOM 952 C GLN A 58 -9.039 5.341 3.717 1.00 0.00 C ATOM 953 O GLN A 58 -9.356 5.471 4.899 1.00 0.00 O ATOM 954 CB GLN A 58 -10.375 3.545 2.601 1.00 0.00 C ATOM 955 CG GLN A 58 -10.366 2.706 1.333 1.00 0.00 C ATOM 956 CD GLN A 58 -11.696 2.732 0.606 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.673 2.131 1.053 1.00 0.00 O ATOM 958 NE2 GLN A 58 -11.741 3.431 -0.522 1.00 0.00 N ATOM 0 H GLN A 58 -9.139 2.549 4.611 1.00 0.00 H new ATOM 0 HA GLN A 58 -8.315 4.014 2.208 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.863 2.981 3.396 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -10.974 4.439 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -9.585 3.071 0.666 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.114 1.676 1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.907 3.914 -0.856 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.609 3.485 -1.054 1.00 0.00 H new ATOM 967 N GLY A 59 -8.732 6.371 2.934 1.00 0.00 N ATOM 968 CA GLY A 59 -8.755 7.728 3.448 1.00 0.00 C ATOM 969 C GLY A 59 -9.299 8.721 2.440 1.00 0.00 C ATOM 970 O GLY A 59 -8.890 8.724 1.279 1.00 0.00 O ATOM 0 H GLY A 59 -8.468 6.290 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.365 7.761 4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.745 8.022 3.734 1.00 0.00 H new ATOM 974 N PHE A 60 -10.224 9.565 2.884 1.00 0.00 N ATOM 975 CA PHE A 60 -10.827 10.566 2.011 1.00 0.00 C ATOM 976 C PHE A 60 -10.038 11.871 2.054 1.00 0.00 C ATOM 977 O PHE A 60 -9.819 12.442 3.122 1.00 0.00 O ATOM 978 CB PHE A 60 -12.279 10.821 2.419 1.00 0.00 C ATOM 979 CG PHE A 60 -13.097 9.567 2.541 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.063 8.812 3.703 1.00 0.00 C ATOM 981 CD2 PHE A 60 -13.899 9.142 1.494 1.00 0.00 C ATOM 982 CE1 PHE A 60 -13.814 7.658 3.819 1.00 0.00 C ATOM 983 CE2 PHE A 60 -14.653 7.989 1.605 1.00 0.00 C ATOM 984 CZ PHE A 60 -14.610 7.246 2.768 1.00 0.00 C ATOM 0 H PHE A 60 -10.573 9.576 3.843 1.00 0.00 H new ATOM 0 HA PHE A 60 -10.806 10.182 0.991 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.293 11.348 3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.744 11.479 1.685 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -12.442 9.130 4.528 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.935 9.718 0.581 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -13.779 7.079 4.730 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.276 7.669 0.782 1.00 0.00 H new ATOM 0 HZ PHE A 60 -15.198 6.344 2.856 1.00 0.00 H new ATOM 994 N VAL A 61 -9.612 12.337 0.884 1.00 0.00 N ATOM 995 CA VAL A 61 -8.847 13.575 0.787 1.00 0.00 C ATOM 996 C VAL A 61 -9.309 14.414 -0.399 1.00 0.00 C ATOM 997 O VAL A 61 -9.856 13.903 -1.377 1.00 0.00 O ATOM 998 CB VAL A 61 -7.340 13.293 0.647 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.756 12.838 1.976 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.090 12.257 -0.438 1.00 0.00 C ATOM 0 H VAL A 61 -9.784 11.876 -0.010 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.021 14.129 1.710 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.841 14.217 0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.690 12.643 1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.902 13.618 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.257 11.926 2.301 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.019 12.070 -0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.601 11.329 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.470 12.628 -1.390 1.00 0.00 H new ATOM 1010 N PRO A 62 -9.084 15.733 -0.314 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.468 16.672 -1.372 1.00 0.00 C ATOM 1012 C PRO A 62 -8.618 16.509 -2.628 1.00 0.00 C ATOM 1013 O PRO A 62 -7.410 16.743 -2.606 1.00 0.00 O ATOM 1014 CB PRO A 62 -9.224 18.043 -0.736 1.00 0.00 C ATOM 1015 CG PRO A 62 -8.185 17.799 0.303 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.436 16.410 0.822 1.00 0.00 C ATOM 0 HA PRO A 62 -10.495 16.517 -1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.882 18.767 -1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.137 18.444 -0.296 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.184 17.883 -0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.255 18.534 1.105 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.508 15.915 1.109 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -9.078 16.420 1.703 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.257 16.107 -3.721 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.560 15.916 -4.987 1.00 0.00 C ATOM 1026 C ALA A 63 -7.906 17.211 -5.455 1.00 0.00 C ATOM 1027 O ALA A 63 -6.856 17.191 -6.096 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.521 15.395 -6.045 1.00 0.00 C ATOM 0 H ALA A 63 -10.257 15.907 -3.756 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.773 15.178 -4.832 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.987 15.257 -6.985 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.937 14.441 -5.721 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.328 16.113 -6.188 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.535 18.336 -5.132 1.00 0.00 N ATOM 1035 CA ALA A 64 -8.013 19.641 -5.518 1.00 0.00 C ATOM 1036 C ALA A 64 -6.637 19.885 -4.908 1.00 0.00 C ATOM 1037 O ALA A 64 -5.893 20.757 -5.358 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.979 20.741 -5.101 1.00 0.00 C ATOM 0 H ALA A 64 -9.407 18.370 -4.604 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.909 19.656 -6.603 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.576 21.710 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.941 20.584 -5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -9.112 20.717 -4.019 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.304 19.109 -3.882 1.00 0.00 N ATOM 1045 CA TYR A 65 -5.018 19.243 -3.208 1.00 0.00 C ATOM 1046 C TYR A 65 -4.009 18.238 -3.756 1.00 0.00 C ATOM 1047 O TYR A 65 -2.806 18.363 -3.529 1.00 0.00 O ATOM 1048 CB TYR A 65 -5.185 19.045 -1.701 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.808 20.231 -0.999 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -7.079 20.676 -1.340 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -5.124 20.907 0.004 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -7.651 21.760 -0.702 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.689 21.991 0.648 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.952 22.414 0.291 1.00 0.00 C ATOM 1055 OH TYR A 65 -7.519 23.493 0.930 1.00 0.00 O ATOM 0 H TYR A 65 -6.907 18.381 -3.499 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.641 20.248 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.802 18.164 -1.525 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.209 18.844 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.629 20.166 -2.117 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.134 20.580 0.285 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.640 22.093 -0.979 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -5.144 22.504 1.427 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.897 23.839 1.603 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.510 17.241 -4.478 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.654 16.214 -5.061 1.00 0.00 C ATOM 1067 C VAL A 66 -3.810 16.163 -6.576 1.00 0.00 C ATOM 1068 O VAL A 66 -4.502 16.991 -7.169 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.967 14.824 -4.476 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.887 14.853 -2.957 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.337 14.350 -4.937 1.00 0.00 C ATOM 0 H VAL A 66 -5.504 17.122 -4.673 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.626 16.481 -4.814 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.221 14.118 -4.841 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.111 13.862 -2.562 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.883 15.147 -2.651 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.609 15.571 -2.568 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.543 13.366 -4.515 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.098 15.055 -4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.354 14.288 -6.025 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.163 15.185 -7.200 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.230 15.022 -8.647 1.00 0.00 C ATOM 1083 C LYS A 67 -2.792 13.621 -9.058 1.00 0.00 C ATOM 1084 O LYS A 67 -2.120 12.921 -8.300 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.352 16.067 -9.340 1.00 0.00 C ATOM 1086 CG LYS A 67 -0.872 15.920 -9.029 1.00 0.00 C ATOM 1087 CD LYS A 67 -0.013 16.636 -10.057 1.00 0.00 C ATOM 1088 CE LYS A 67 1.376 16.023 -10.146 1.00 0.00 C ATOM 1089 NZ LYS A 67 2.339 16.927 -10.833 1.00 0.00 N ATOM 0 H LYS A 67 -2.585 14.492 -6.725 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.266 15.164 -8.956 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.497 15.994 -10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.681 17.062 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.666 16.323 -8.037 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.607 14.863 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.496 16.589 -11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.070 17.690 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.739 15.800 -9.143 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.321 15.076 -10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.274 16.473 -10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.006 17.119 -11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.411 17.821 -10.307 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.175 13.216 -10.265 1.00 0.00 N ATOM 1104 CA LYS A 68 -2.819 11.899 -10.779 1.00 0.00 C ATOM 1105 C LYS A 68 -1.319 11.804 -11.042 1.00 0.00 C ATOM 1106 O LYS A 68 -0.719 12.718 -11.609 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.593 11.605 -12.066 1.00 0.00 C ATOM 1108 CG LYS A 68 -3.865 10.128 -12.289 1.00 0.00 C ATOM 1109 CD LYS A 68 -4.964 9.912 -13.316 1.00 0.00 C ATOM 1110 CE LYS A 68 -4.516 10.332 -14.708 1.00 0.00 C ATOM 1111 NZ LYS A 68 -4.741 11.785 -14.947 1.00 0.00 N ATOM 0 H LYS A 68 -3.732 13.782 -10.905 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.085 11.158 -10.025 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.542 12.140 -12.039 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.031 11.994 -12.915 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.952 9.635 -12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.151 9.663 -11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.252 8.861 -13.327 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.848 10.482 -13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.458 10.103 -14.834 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.059 9.753 -15.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.329 11.910 -15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.225 12.201 -14.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.826 12.260 -15.087 1.00 0.00 H new