USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 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 Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 71:sc= 1.28 USER MOD Single : A 16 GLN : amide:sc= -0.0582 X(o=-0.058,f=-0.34) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.279 USER MOD Single : A 24 THR OG1 : rot -138:sc= -1.45 USER MOD Single : A 25 MET CE :methyl -119:sc= -2.4 (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= 0.0466 USER MOD Single : A 35 ASN : amide:sc= -0.251 K(o=-0.25,f=-2.6!) 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= -0.225 K(o=-0.22,f=-0.93) USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0307 (180deg=-0.254) USER MOD Single : A 43 LYS NZ :NH3+ -156:sc= 0.833 (180deg=0.374) USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.169 (180deg=-0.613) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0795 X(o=-0.079,f=-0.079) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=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 Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 88 N GLU A 7 11.503 -7.858 -6.592 1.00 0.00 N ATOM 89 CA GLU A 7 12.568 -7.799 -7.586 1.00 0.00 C ATOM 90 C GLU A 7 12.935 -6.353 -7.905 1.00 0.00 C ATOM 91 O GLU A 7 12.096 -5.573 -8.359 1.00 0.00 O ATOM 92 CB GLU A 7 12.141 -8.523 -8.866 1.00 0.00 C ATOM 93 CG GLU A 7 13.186 -9.492 -9.393 1.00 0.00 C ATOM 94 CD GLU A 7 13.352 -10.710 -8.506 1.00 0.00 C ATOM 95 OE1 GLU A 7 14.105 -10.623 -7.513 1.00 0.00 O ATOM 96 OE2 GLU A 7 12.729 -11.751 -8.804 1.00 0.00 O ATOM 0 HA GLU A 7 13.446 -8.295 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 7 11.216 -9.067 -8.675 1.00 0.00 H new ATOM 0 HB3 GLU A 7 11.922 -7.783 -9.636 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.905 -9.813 -10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.143 -8.977 -9.479 1.00 0.00 H new ATOM 103 N LEU A 8 14.193 -6.001 -7.664 1.00 0.00 N ATOM 104 CA LEU A 8 14.673 -4.649 -7.924 1.00 0.00 C ATOM 105 C LEU A 8 16.032 -4.677 -8.615 1.00 0.00 C ATOM 106 O LEU A 8 16.849 -5.564 -8.366 1.00 0.00 O ATOM 107 CB LEU A 8 14.768 -3.860 -6.617 1.00 0.00 C ATOM 108 CG LEU A 8 13.511 -3.096 -6.201 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.482 -2.896 -4.693 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.438 -1.756 -6.919 1.00 0.00 C ATOM 0 H LEU A 8 14.899 -6.634 -7.289 1.00 0.00 H new ATOM 0 HA LEU A 8 13.960 -4.158 -8.586 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.030 -4.552 -5.817 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.589 -3.148 -6.704 1.00 0.00 H new ATOM 0 HG LEU A 8 12.640 -3.686 -6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.580 -2.350 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.486 -3.867 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.359 -2.327 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.537 -1.226 -6.610 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.314 -1.159 -6.666 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.411 -1.921 -7.996 1.00 0.00 H new ATOM 122 N VAL A 9 16.270 -3.698 -9.482 1.00 0.00 N ATOM 123 CA VAL A 9 17.532 -3.608 -10.206 1.00 0.00 C ATOM 124 C VAL A 9 18.270 -2.317 -9.867 1.00 0.00 C ATOM 125 O VAL A 9 17.651 -1.280 -9.629 1.00 0.00 O ATOM 126 CB VAL A 9 17.311 -3.675 -11.729 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.536 -4.930 -12.102 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.590 -2.428 -12.218 1.00 0.00 C ATOM 0 H VAL A 9 15.605 -2.956 -9.700 1.00 0.00 H new ATOM 0 HA VAL A 9 18.136 -4.460 -9.896 1.00 0.00 H new ATOM 0 HB VAL A 9 18.284 -3.719 -12.218 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.390 -4.960 -13.182 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.096 -5.811 -11.787 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.566 -4.920 -11.605 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.442 -2.492 -13.296 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.622 -2.350 -11.723 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.188 -1.547 -11.986 1.00 0.00 H new ATOM 138 N LEU A 10 19.596 -2.388 -9.848 1.00 0.00 N ATOM 139 CA LEU A 10 20.420 -1.225 -9.539 1.00 0.00 C ATOM 140 C LEU A 10 20.875 -0.525 -10.815 1.00 0.00 C ATOM 141 O LEU A 10 21.239 -1.174 -11.795 1.00 0.00 O ATOM 142 CB LEU A 10 21.637 -1.643 -8.711 1.00 0.00 C ATOM 143 CG LEU A 10 22.740 -0.594 -8.563 1.00 0.00 C ATOM 144 CD1 LEU A 10 22.227 0.616 -7.799 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.954 -1.192 -7.867 1.00 0.00 C ATOM 0 H LEU A 10 20.124 -3.239 -10.043 1.00 0.00 H new ATOM 0 HA LEU A 10 19.816 -0.527 -8.959 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.295 -1.924 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.070 -2.535 -9.163 1.00 0.00 H new ATOM 0 HG LEU A 10 23.041 -0.268 -9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 10 23.026 1.352 -7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 10 21.389 1.058 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.898 0.307 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.729 -0.432 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.668 -1.547 -6.877 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.336 -2.027 -8.455 1.00 0.00 H new ATOM 157 N ALA A 11 20.853 0.804 -10.795 1.00 0.00 N ATOM 158 CA ALA A 11 21.267 1.592 -11.949 1.00 0.00 C ATOM 159 C ALA A 11 22.734 1.994 -11.842 1.00 0.00 C ATOM 160 O ALA A 11 23.084 2.917 -11.105 1.00 0.00 O ATOM 161 CB ALA A 11 20.389 2.827 -12.087 1.00 0.00 C ATOM 0 H ALA A 11 20.553 1.357 -9.992 1.00 0.00 H new ATOM 0 HA ALA A 11 21.150 0.975 -12.840 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.709 3.406 -12.953 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.351 2.522 -12.218 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.477 3.438 -11.189 1.00 0.00 H new ATOM 167 N LEU A 12 23.590 1.295 -12.580 1.00 0.00 N ATOM 168 CA LEU A 12 25.021 1.578 -12.567 1.00 0.00 C ATOM 169 C LEU A 12 25.327 2.866 -13.324 1.00 0.00 C ATOM 170 O LEU A 12 26.273 3.583 -12.994 1.00 0.00 O ATOM 171 CB LEU A 12 25.797 0.413 -13.183 1.00 0.00 C ATOM 172 CG LEU A 12 25.347 -0.988 -12.767 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.972 -2.039 -13.671 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.705 -1.253 -11.312 1.00 0.00 C ATOM 0 H LEU A 12 23.318 0.528 -13.195 1.00 0.00 H new ATOM 0 HA LEU A 12 25.333 1.705 -11.530 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.726 0.488 -14.268 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.850 0.527 -12.924 1.00 0.00 H new ATOM 0 HG LEU A 12 24.263 -1.047 -12.870 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.641 -3.030 -13.360 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.666 -1.861 -14.702 1.00 0.00 H new ATOM 0 HD13 LEU A 12 27.058 -1.981 -13.600 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.377 -2.255 -11.033 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.785 -1.175 -11.183 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.210 -0.519 -10.676 1.00 0.00 H new ATOM 186 N TYR A 13 24.522 3.155 -14.340 1.00 0.00 N ATOM 187 CA TYR A 13 24.707 4.357 -15.145 1.00 0.00 C ATOM 188 C TYR A 13 23.405 5.143 -15.257 1.00 0.00 C ATOM 189 O TYR A 13 22.380 4.752 -14.699 1.00 0.00 O ATOM 190 CB TYR A 13 25.215 3.988 -16.540 1.00 0.00 C ATOM 191 CG TYR A 13 26.652 3.518 -16.557 1.00 0.00 C ATOM 192 CD1 TYR A 13 27.698 4.425 -16.678 1.00 0.00 C ATOM 193 CD2 TYR A 13 26.964 2.169 -16.452 1.00 0.00 C ATOM 194 CE1 TYR A 13 29.013 4.001 -16.695 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.276 1.736 -16.466 1.00 0.00 C ATOM 196 CZ TYR A 13 29.296 2.655 -16.588 1.00 0.00 C ATOM 197 OH TYR A 13 30.604 2.228 -16.604 1.00 0.00 O ATOM 0 H TYR A 13 23.735 2.573 -14.626 1.00 0.00 H new ATOM 0 HA TYR A 13 25.448 4.985 -14.650 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.580 3.204 -16.953 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.117 4.855 -17.194 1.00 0.00 H new ATOM 0 HD1 TYR A 13 27.479 5.479 -16.760 1.00 0.00 H new ATOM 0 HD2 TYR A 13 26.167 1.446 -16.358 1.00 0.00 H new ATOM 0 HE1 TYR A 13 29.814 4.719 -16.791 1.00 0.00 H new ATOM 0 HE2 TYR A 13 28.501 0.683 -16.382 1.00 0.00 H new ATOM 0 HH TYR A 13 30.631 1.252 -16.518 1.00 0.00 H new ATOM 207 N ASP A 14 23.454 6.255 -15.983 1.00 0.00 N ATOM 208 CA ASP A 14 22.278 7.098 -16.171 1.00 0.00 C ATOM 209 C ASP A 14 21.651 6.857 -17.541 1.00 0.00 C ATOM 210 O ASP A 14 22.284 6.296 -18.435 1.00 0.00 O ATOM 211 CB ASP A 14 22.653 8.573 -16.019 1.00 0.00 C ATOM 212 CG ASP A 14 21.447 9.488 -16.105 1.00 0.00 C ATOM 213 OD1 ASP A 14 21.092 9.898 -17.229 1.00 0.00 O ATOM 214 OD2 ASP A 14 20.858 9.794 -15.046 1.00 0.00 O ATOM 0 H ASP A 14 24.295 6.594 -16.451 1.00 0.00 H new ATOM 0 HA ASP A 14 21.547 6.837 -15.406 1.00 0.00 H new ATOM 0 HB2 ASP A 14 23.151 8.722 -15.061 1.00 0.00 H new ATOM 0 HB3 ASP A 14 23.368 8.845 -16.795 1.00 0.00 H new ATOM 219 N TYR A 15 20.403 7.285 -17.697 1.00 0.00 N ATOM 220 CA TYR A 15 19.689 7.113 -18.957 1.00 0.00 C ATOM 221 C TYR A 15 18.791 8.314 -19.242 1.00 0.00 C ATOM 222 O TYR A 15 18.669 9.219 -18.418 1.00 0.00 O ATOM 223 CB TYR A 15 18.852 5.833 -18.922 1.00 0.00 C ATOM 224 CG TYR A 15 18.660 5.199 -20.281 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.750 4.866 -21.075 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.387 4.930 -20.770 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.580 4.287 -22.317 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.207 4.350 -22.011 1.00 0.00 C ATOM 229 CZ TYR A 15 18.306 4.030 -22.781 1.00 0.00 C ATOM 230 OH TYR A 15 18.132 3.452 -24.017 1.00 0.00 O ATOM 0 H TYR A 15 19.865 7.753 -16.968 1.00 0.00 H new ATOM 0 HA TYR A 15 20.426 7.035 -19.756 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.332 5.113 -18.259 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.875 6.059 -18.494 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.749 5.064 -20.714 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.524 5.179 -20.170 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.439 4.037 -22.922 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.211 4.148 -22.376 1.00 0.00 H new ATOM 0 HH TYR A 15 18.415 2.514 -23.982 1.00 0.00 H new ATOM 240 N GLN A 16 18.166 8.311 -20.415 1.00 0.00 N ATOM 241 CA GLN A 16 17.280 9.400 -20.810 1.00 0.00 C ATOM 242 C GLN A 16 16.226 8.912 -21.798 1.00 0.00 C ATOM 243 O GLN A 16 16.476 8.840 -23.001 1.00 0.00 O ATOM 244 CB GLN A 16 18.086 10.543 -21.428 1.00 0.00 C ATOM 245 CG GLN A 16 17.717 11.913 -20.881 1.00 0.00 C ATOM 246 CD GLN A 16 18.741 12.443 -19.896 1.00 0.00 C ATOM 247 OE1 GLN A 16 19.946 12.385 -20.145 1.00 0.00 O ATOM 248 NE2 GLN A 16 18.267 12.963 -18.771 1.00 0.00 N ATOM 0 H GLN A 16 18.256 7.568 -21.108 1.00 0.00 H new ATOM 0 HA GLN A 16 16.773 9.765 -19.917 1.00 0.00 H new ATOM 0 HB2 GLN A 16 19.147 10.365 -21.253 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.936 10.540 -22.508 1.00 0.00 H new ATOM 0 HG2 GLN A 16 17.617 12.615 -21.708 1.00 0.00 H new ATOM 0 HG3 GLN A 16 16.744 11.855 -20.392 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.261 12.991 -18.606 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.909 13.335 -18.071 1.00 0.00 H new ATOM 257 N GLU A 17 15.047 8.578 -21.282 1.00 0.00 N ATOM 258 CA GLU A 17 13.956 8.096 -22.120 1.00 0.00 C ATOM 259 C GLU A 17 13.708 9.044 -23.290 1.00 0.00 C ATOM 260 O GLU A 17 13.856 10.260 -23.160 1.00 0.00 O ATOM 261 CB GLU A 17 12.677 7.943 -21.294 1.00 0.00 C ATOM 262 CG GLU A 17 12.187 9.246 -20.685 1.00 0.00 C ATOM 263 CD GLU A 17 11.112 9.032 -19.637 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.959 7.884 -19.168 1.00 0.00 O ATOM 265 OE2 GLU A 17 10.423 10.013 -19.286 1.00 0.00 O ATOM 0 H GLU A 17 14.824 8.632 -20.288 1.00 0.00 H new ATOM 0 HA GLU A 17 14.242 7.122 -22.518 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.892 7.530 -21.928 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.854 7.222 -20.496 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.029 9.771 -20.234 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.797 9.888 -21.475 1.00 0.00 H new ATOM 272 N LYS A 18 13.332 8.480 -24.432 1.00 0.00 N ATOM 273 CA LYS A 18 13.062 9.273 -25.626 1.00 0.00 C ATOM 274 C LYS A 18 11.630 9.064 -26.106 1.00 0.00 C ATOM 275 O LYS A 18 11.166 9.745 -27.020 1.00 0.00 O ATOM 276 CB LYS A 18 14.044 8.904 -26.740 1.00 0.00 C ATOM 277 CG LYS A 18 14.396 7.427 -26.776 1.00 0.00 C ATOM 278 CD LYS A 18 13.170 6.567 -27.037 1.00 0.00 C ATOM 279 CE LYS A 18 13.556 5.187 -27.545 1.00 0.00 C ATOM 280 NZ LYS A 18 12.388 4.462 -28.119 1.00 0.00 N ATOM 0 H LYS A 18 13.207 7.475 -24.557 1.00 0.00 H new ATOM 0 HA LYS A 18 13.190 10.325 -25.370 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.615 9.190 -27.700 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.958 9.484 -26.614 1.00 0.00 H new ATOM 0 HG2 LYS A 18 15.139 7.248 -27.553 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.850 7.137 -25.828 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.591 6.469 -26.119 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.528 7.059 -27.768 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.333 5.283 -28.304 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.980 4.604 -26.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.691 3.526 -28.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.657 4.348 -27.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.999 5.006 -28.916 1.00 0.00 H new ATOM 294 N SER A 19 10.933 8.118 -25.483 1.00 0.00 N ATOM 295 CA SER A 19 9.554 7.819 -25.848 1.00 0.00 C ATOM 296 C SER A 19 8.684 7.662 -24.605 1.00 0.00 C ATOM 297 O SER A 19 9.173 7.434 -23.498 1.00 0.00 O ATOM 298 CB SER A 19 9.493 6.543 -26.691 1.00 0.00 C ATOM 299 OG SER A 19 9.054 5.441 -25.917 1.00 0.00 O ATOM 0 H SER A 19 11.302 7.546 -24.723 1.00 0.00 H new ATOM 0 HA SER A 19 9.171 8.654 -26.435 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.817 6.692 -27.533 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.478 6.330 -27.106 1.00 0.00 H new ATOM 0 HG SER A 19 9.022 4.639 -26.479 1.00 0.00 H new ATOM 305 N PRO A 20 7.361 7.787 -24.789 1.00 0.00 N ATOM 306 CA PRO A 20 6.394 7.663 -23.695 1.00 0.00 C ATOM 307 C PRO A 20 6.285 6.233 -23.177 1.00 0.00 C ATOM 308 O PRO A 20 5.754 5.995 -22.093 1.00 0.00 O ATOM 309 CB PRO A 20 5.075 8.102 -24.336 1.00 0.00 C ATOM 310 CG PRO A 20 5.251 7.829 -25.790 1.00 0.00 C ATOM 311 CD PRO A 20 6.708 8.060 -26.081 1.00 0.00 C ATOM 0 HA PRO A 20 6.681 8.258 -22.828 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.232 7.545 -23.928 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.878 9.158 -24.153 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.962 6.807 -26.033 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.624 8.489 -26.390 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.072 7.395 -26.864 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.894 9.080 -26.418 1.00 0.00 H new ATOM 319 N ARG A 21 6.792 5.285 -23.959 1.00 0.00 N ATOM 320 CA ARG A 21 6.751 3.879 -23.579 1.00 0.00 C ATOM 321 C ARG A 21 8.106 3.418 -23.050 1.00 0.00 C ATOM 322 O ARG A 21 8.430 2.232 -23.096 1.00 0.00 O ATOM 323 CB ARG A 21 6.339 3.017 -24.774 1.00 0.00 C ATOM 324 CG ARG A 21 5.516 1.798 -24.391 1.00 0.00 C ATOM 325 CD ARG A 21 4.609 1.358 -25.530 1.00 0.00 C ATOM 326 NE ARG A 21 5.316 0.530 -26.504 1.00 0.00 N ATOM 327 CZ ARG A 21 4.733 -0.013 -27.567 1.00 0.00 C ATOM 328 NH1 ARG A 21 3.441 0.183 -27.791 1.00 0.00 N ATOM 329 NH2 ARG A 21 5.443 -0.754 -28.408 1.00 0.00 N ATOM 0 H ARG A 21 7.236 5.466 -24.859 1.00 0.00 H new ATOM 0 HA ARG A 21 6.013 3.765 -22.785 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.765 3.628 -25.471 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.235 2.689 -25.301 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.182 0.979 -24.118 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.913 2.026 -23.512 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.764 0.801 -25.126 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.202 2.237 -26.029 1.00 0.00 H new ATOM 0 HE ARG A 21 6.311 0.360 -26.360 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.892 0.752 -27.146 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.996 -0.235 -28.608 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.437 -0.907 -28.239 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.995 -1.171 -29.224 1.00 0.00 H new ATOM 343 N GLU A 22 8.892 4.365 -22.548 1.00 0.00 N ATOM 344 CA GLU A 22 10.213 4.056 -22.011 1.00 0.00 C ATOM 345 C GLU A 22 10.451 4.790 -20.695 1.00 0.00 C ATOM 346 O GLU A 22 9.832 5.819 -20.424 1.00 0.00 O ATOM 347 CB GLU A 22 11.299 4.432 -23.021 1.00 0.00 C ATOM 348 CG GLU A 22 12.570 3.612 -22.881 1.00 0.00 C ATOM 349 CD GLU A 22 12.453 2.240 -23.516 1.00 0.00 C ATOM 350 OE1 GLU A 22 11.313 1.758 -23.681 1.00 0.00 O ATOM 351 OE2 GLU A 22 13.501 1.649 -23.848 1.00 0.00 O ATOM 0 H GLU A 22 8.638 5.352 -22.502 1.00 0.00 H new ATOM 0 HA GLU A 22 10.258 2.983 -21.822 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.905 4.306 -24.029 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.543 5.488 -22.903 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.398 4.151 -23.341 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.811 3.499 -21.824 1.00 0.00 H new ATOM 358 N VAL A 23 11.352 4.252 -19.879 1.00 0.00 N ATOM 359 CA VAL A 23 11.673 4.855 -18.591 1.00 0.00 C ATOM 360 C VAL A 23 13.117 5.342 -18.557 1.00 0.00 C ATOM 361 O VAL A 23 13.851 5.214 -19.537 1.00 0.00 O ATOM 362 CB VAL A 23 11.450 3.862 -17.435 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.965 3.700 -17.148 1.00 0.00 C ATOM 364 CG2 VAL A 23 12.088 2.519 -17.757 1.00 0.00 C ATOM 0 H VAL A 23 11.872 3.400 -20.087 1.00 0.00 H new ATOM 0 HA VAL A 23 11.003 5.705 -18.464 1.00 0.00 H new ATOM 0 HB VAL A 23 11.927 4.261 -16.540 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.828 2.995 -16.328 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.541 4.665 -16.871 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.461 3.324 -18.038 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.921 1.829 -16.930 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.641 2.112 -18.664 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.159 2.652 -17.908 1.00 0.00 H new ATOM 374 N THR A 24 13.521 5.901 -17.420 1.00 0.00 N ATOM 375 CA THR A 24 14.878 6.408 -17.257 1.00 0.00 C ATOM 376 C THR A 24 15.358 6.242 -15.820 1.00 0.00 C ATOM 377 O THR A 24 14.573 5.924 -14.926 1.00 0.00 O ATOM 378 CB THR A 24 14.973 7.894 -17.650 1.00 0.00 C ATOM 379 OG1 THR A 24 16.328 8.231 -17.968 1.00 0.00 O ATOM 380 CG2 THR A 24 14.475 8.785 -16.521 1.00 0.00 C ATOM 0 H THR A 24 12.927 6.014 -16.598 1.00 0.00 H new ATOM 0 HA THR A 24 15.516 5.823 -17.920 1.00 0.00 H new ATOM 0 HB THR A 24 14.344 8.057 -18.525 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.547 9.104 -17.581 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.552 9.830 -16.821 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.435 8.546 -16.301 1.00 0.00 H new ATOM 0 HG23 THR A 24 15.082 8.618 -15.631 1.00 0.00 H new ATOM 388 N MET A 25 16.651 6.460 -15.604 1.00 0.00 N ATOM 389 CA MET A 25 17.234 6.336 -14.273 1.00 0.00 C ATOM 390 C MET A 25 18.586 7.040 -14.205 1.00 0.00 C ATOM 391 O MET A 25 19.109 7.503 -15.219 1.00 0.00 O ATOM 392 CB MET A 25 17.394 4.862 -13.898 1.00 0.00 C ATOM 393 CG MET A 25 17.785 3.975 -15.069 1.00 0.00 C ATOM 394 SD MET A 25 19.473 4.272 -15.631 1.00 0.00 S ATOM 395 CE MET A 25 19.689 2.918 -16.783 1.00 0.00 C ATOM 0 H MET A 25 17.314 6.723 -16.333 1.00 0.00 H new ATOM 0 HA MET A 25 16.559 6.813 -13.562 1.00 0.00 H new ATOM 0 HB2 MET A 25 18.150 4.774 -13.118 1.00 0.00 H new ATOM 0 HB3 MET A 25 16.457 4.499 -13.475 1.00 0.00 H new ATOM 0 HG2 MET A 25 17.681 2.930 -14.779 1.00 0.00 H new ATOM 0 HG3 MET A 25 17.095 4.146 -15.896 1.00 0.00 H new ATOM 0 HE1 MET A 25 20.508 2.282 -16.448 1.00 0.00 H new ATOM 0 HE2 MET A 25 18.771 2.332 -16.832 1.00 0.00 H new ATOM 0 HE3 MET A 25 19.919 3.315 -17.772 1.00 0.00 H new ATOM 405 N LYS A 26 19.148 7.116 -13.003 1.00 0.00 N ATOM 406 CA LYS A 26 20.440 7.762 -12.802 1.00 0.00 C ATOM 407 C LYS A 26 21.347 6.904 -11.927 1.00 0.00 C ATOM 408 O LYS A 26 20.883 5.995 -11.237 1.00 0.00 O ATOM 409 CB LYS A 26 20.250 9.140 -12.162 1.00 0.00 C ATOM 410 CG LYS A 26 19.100 9.934 -12.756 1.00 0.00 C ATOM 411 CD LYS A 26 17.814 9.721 -11.976 1.00 0.00 C ATOM 412 CE LYS A 26 16.794 10.809 -12.276 1.00 0.00 C ATOM 413 NZ LYS A 26 15.509 10.579 -11.558 1.00 0.00 N ATOM 0 H LYS A 26 18.729 6.738 -12.153 1.00 0.00 H new ATOM 0 HA LYS A 26 20.914 7.883 -13.776 1.00 0.00 H new ATOM 0 HB2 LYS A 26 20.079 9.014 -11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 26 21.171 9.713 -12.273 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.353 10.994 -12.760 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.950 9.638 -13.794 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.393 8.747 -12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.032 9.710 -10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.202 11.778 -11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.608 10.847 -13.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.841 11.342 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.106 9.666 -11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.681 10.569 -10.532 1.00 0.00 H new ATOM 427 N LYS A 27 22.642 7.198 -11.957 1.00 0.00 N ATOM 428 CA LYS A 27 23.615 6.455 -11.165 1.00 0.00 C ATOM 429 C LYS A 27 23.184 6.381 -9.704 1.00 0.00 C ATOM 430 O LYS A 27 23.209 7.381 -8.987 1.00 0.00 O ATOM 431 CB LYS A 27 24.994 7.111 -11.268 1.00 0.00 C ATOM 432 CG LYS A 27 25.769 6.706 -12.510 1.00 0.00 C ATOM 433 CD LYS A 27 25.522 7.668 -13.660 1.00 0.00 C ATOM 434 CE LYS A 27 26.544 7.483 -14.771 1.00 0.00 C ATOM 435 NZ LYS A 27 27.718 8.382 -14.599 1.00 0.00 N ATOM 0 H LYS A 27 23.043 7.947 -12.522 1.00 0.00 H new ATOM 0 HA LYS A 27 23.671 5.441 -11.561 1.00 0.00 H new ATOM 0 HB2 LYS A 27 24.873 8.194 -11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 27 25.578 6.851 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 27 26.834 6.677 -12.282 1.00 0.00 H new ATOM 0 HG3 LYS A 27 25.479 5.699 -12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 27 24.519 7.512 -14.057 1.00 0.00 H new ATOM 0 HD3 LYS A 27 25.564 8.694 -13.293 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.880 6.446 -14.787 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.073 7.680 -15.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.392 8.226 -15.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.401 9.373 -14.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 28.183 8.177 -13.691 1.00 0.00 H new ATOM 449 N GLY A 28 22.789 5.188 -9.268 1.00 0.00 N ATOM 450 CA GLY A 28 22.359 5.006 -7.894 1.00 0.00 C ATOM 451 C GLY A 28 20.853 4.898 -7.767 1.00 0.00 C ATOM 452 O GLY A 28 20.308 4.977 -6.666 1.00 0.00 O ATOM 0 H GLY A 28 22.759 4.345 -9.842 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.820 4.105 -7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.712 5.843 -7.292 1.00 0.00 H new ATOM 456 N ASP A 29 20.177 4.720 -8.897 1.00 0.00 N ATOM 457 CA ASP A 29 18.723 4.602 -8.908 1.00 0.00 C ATOM 458 C ASP A 29 18.297 3.139 -8.958 1.00 0.00 C ATOM 459 O ASP A 29 18.905 2.328 -9.658 1.00 0.00 O ATOM 460 CB ASP A 29 18.138 5.358 -10.103 1.00 0.00 C ATOM 461 CG ASP A 29 18.073 6.854 -9.866 1.00 0.00 C ATOM 462 OD1 ASP A 29 19.132 7.459 -9.597 1.00 0.00 O ATOM 463 OD2 ASP A 29 16.963 7.420 -9.950 1.00 0.00 O ATOM 0 H ASP A 29 20.612 4.654 -9.817 1.00 0.00 H new ATOM 0 HA ASP A 29 18.340 5.042 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.744 5.159 -10.987 1.00 0.00 H new ATOM 0 HB3 ASP A 29 17.136 4.982 -10.312 1.00 0.00 H new ATOM 468 N ILE A 30 17.249 2.807 -8.211 1.00 0.00 N ATOM 469 CA ILE A 30 16.742 1.441 -8.170 1.00 0.00 C ATOM 470 C ILE A 30 15.345 1.355 -8.774 1.00 0.00 C ATOM 471 O ILE A 30 14.479 2.183 -8.484 1.00 0.00 O ATOM 472 CB ILE A 30 16.701 0.899 -6.730 1.00 0.00 C ATOM 473 CG1 ILE A 30 18.023 1.187 -6.015 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.411 -0.595 -6.734 1.00 0.00 C ATOM 475 CD1 ILE A 30 18.041 0.736 -4.571 1.00 0.00 C ATOM 0 H ILE A 30 16.735 3.466 -7.626 1.00 0.00 H new ATOM 0 HA ILE A 30 17.428 0.832 -8.759 1.00 0.00 H new ATOM 0 HB ILE A 30 15.900 1.404 -6.191 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.832 0.692 -6.552 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.222 2.258 -6.055 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.385 -0.963 -5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.447 -0.777 -7.209 1.00 0.00 H new ATOM 0 HG23 ILE A 30 17.193 -1.116 -7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.009 0.972 -4.128 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.254 1.250 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.873 -0.340 -4.524 1.00 0.00 H new ATOM 487 N LEU A 31 15.129 0.348 -9.613 1.00 0.00 N ATOM 488 CA LEU A 31 13.835 0.152 -10.257 1.00 0.00 C ATOM 489 C LEU A 31 13.351 -1.283 -10.080 1.00 0.00 C ATOM 490 O LEU A 31 14.106 -2.235 -10.285 1.00 0.00 O ATOM 491 CB LEU A 31 13.927 0.492 -11.745 1.00 0.00 C ATOM 492 CG LEU A 31 14.216 1.955 -12.083 1.00 0.00 C ATOM 493 CD1 LEU A 31 13.316 2.877 -11.275 1.00 0.00 C ATOM 494 CD2 LEU A 31 15.681 2.282 -11.832 1.00 0.00 C ATOM 0 H LEU A 31 15.834 -0.346 -9.863 1.00 0.00 H new ATOM 0 HA LEU A 31 13.116 0.819 -9.782 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.708 -0.124 -12.190 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.988 0.209 -12.221 1.00 0.00 H new ATOM 0 HG LEU A 31 14.006 2.111 -13.141 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.536 3.914 -11.529 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.273 2.660 -11.505 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.493 2.718 -10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 31 15.868 3.327 -12.078 1.00 0.00 H new ATOM 0 HD22 LEU A 31 15.918 2.108 -10.782 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.308 1.645 -12.456 1.00 0.00 H new ATOM 506 N THR A 32 12.086 -1.434 -9.701 1.00 0.00 N ATOM 507 CA THR A 32 11.500 -2.753 -9.498 1.00 0.00 C ATOM 508 C THR A 32 11.374 -3.507 -10.817 1.00 0.00 C ATOM 509 O THR A 32 10.655 -3.081 -11.722 1.00 0.00 O ATOM 510 CB THR A 32 10.111 -2.655 -8.841 1.00 0.00 C ATOM 511 OG1 THR A 32 9.996 -1.425 -8.118 1.00 0.00 O ATOM 512 CG2 THR A 32 9.874 -3.826 -7.899 1.00 0.00 C ATOM 0 H THR A 32 11.447 -0.658 -9.528 1.00 0.00 H new ATOM 0 HA THR A 32 12.170 -3.298 -8.833 1.00 0.00 H new ATOM 0 HB THR A 32 9.359 -2.684 -9.629 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.109 -1.370 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.886 -3.735 -7.447 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.933 -4.760 -8.458 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.633 -3.823 -7.117 1.00 0.00 H new ATOM 520 N LEU A 33 12.077 -4.630 -10.920 1.00 0.00 N ATOM 521 CA LEU A 33 12.043 -5.445 -12.129 1.00 0.00 C ATOM 522 C LEU A 33 10.683 -6.117 -12.295 1.00 0.00 C ATOM 523 O LEU A 33 10.151 -6.706 -11.354 1.00 0.00 O ATOM 524 CB LEU A 33 13.145 -6.505 -12.084 1.00 0.00 C ATOM 525 CG LEU A 33 13.296 -7.370 -13.336 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.269 -8.492 -13.336 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.160 -6.520 -14.591 1.00 0.00 C ATOM 0 H LEU A 33 12.677 -4.996 -10.181 1.00 0.00 H new ATOM 0 HA LEU A 33 12.211 -4.790 -12.984 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.095 -6.005 -11.896 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.956 -7.161 -11.234 1.00 0.00 H new ATOM 0 HG LEU A 33 14.291 -7.815 -13.329 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.391 -9.097 -14.234 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.413 -9.117 -12.455 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.266 -8.067 -13.319 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.270 -7.152 -15.472 1.00 0.00 H new ATOM 0 HD22 LEU A 33 12.179 -6.046 -14.605 1.00 0.00 H new ATOM 0 HD23 LEU A 33 13.934 -5.752 -14.596 1.00 0.00 H new ATOM 539 N LEU A 34 10.127 -6.025 -13.498 1.00 0.00 N ATOM 540 CA LEU A 34 8.830 -6.625 -13.790 1.00 0.00 C ATOM 541 C LEU A 34 8.973 -7.779 -14.777 1.00 0.00 C ATOM 542 O LEU A 34 8.283 -8.791 -14.668 1.00 0.00 O ATOM 543 CB LEU A 34 7.874 -5.572 -14.353 1.00 0.00 C ATOM 544 CG LEU A 34 7.050 -4.795 -13.326 1.00 0.00 C ATOM 545 CD1 LEU A 34 6.188 -5.743 -12.506 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.960 -3.980 -12.419 1.00 0.00 C ATOM 0 H LEU A 34 10.554 -5.540 -14.287 1.00 0.00 H new ATOM 0 HA LEU A 34 8.421 -7.017 -12.859 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.455 -4.859 -14.938 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.188 -6.065 -15.042 1.00 0.00 H new ATOM 0 HG LEU A 34 6.393 -4.109 -13.860 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.609 -5.172 -11.780 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.510 -6.283 -13.167 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.827 -6.454 -11.982 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.357 -3.433 -11.694 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.642 -4.648 -11.893 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.534 -3.274 -13.019 1.00 0.00 H new ATOM 558 N ASN A 35 9.876 -7.619 -15.739 1.00 0.00 N ATOM 559 CA ASN A 35 10.112 -8.649 -16.745 1.00 0.00 C ATOM 560 C ASN A 35 11.590 -8.720 -17.114 1.00 0.00 C ATOM 561 O ASN A 35 12.260 -7.695 -17.240 1.00 0.00 O ATOM 562 CB ASN A 35 9.275 -8.370 -17.995 1.00 0.00 C ATOM 563 CG ASN A 35 8.738 -9.640 -18.626 1.00 0.00 C ATOM 564 OD1 ASN A 35 8.715 -10.698 -17.996 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.302 -9.541 -19.876 1.00 0.00 N ATOM 0 H ASN A 35 10.456 -6.787 -15.843 1.00 0.00 H new ATOM 0 HA ASN A 35 9.815 -9.609 -16.324 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.442 -7.717 -17.733 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.883 -7.834 -18.724 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.929 -10.362 -20.353 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.340 -8.644 -20.360 1.00 0.00 H new ATOM 572 N SER A 36 12.093 -9.938 -17.287 1.00 0.00 N ATOM 573 CA SER A 36 13.493 -10.145 -17.640 1.00 0.00 C ATOM 574 C SER A 36 13.628 -11.197 -18.736 1.00 0.00 C ATOM 575 O SER A 36 14.661 -11.857 -18.857 1.00 0.00 O ATOM 576 CB SER A 36 14.294 -10.569 -16.407 1.00 0.00 C ATOM 577 OG SER A 36 13.920 -11.867 -15.978 1.00 0.00 O ATOM 0 H SER A 36 11.552 -10.797 -17.188 1.00 0.00 H new ATOM 0 HA SER A 36 13.891 -9.202 -18.016 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.359 -10.552 -16.638 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.131 -9.855 -15.600 1.00 0.00 H new ATOM 0 HG SER A 36 14.447 -12.116 -15.190 1.00 0.00 H new ATOM 583 N THR A 37 12.576 -11.351 -19.533 1.00 0.00 N ATOM 584 CA THR A 37 12.574 -12.323 -20.619 1.00 0.00 C ATOM 585 C THR A 37 13.743 -12.088 -21.569 1.00 0.00 C ATOM 586 O THR A 37 14.284 -13.030 -22.147 1.00 0.00 O ATOM 587 CB THR A 37 11.259 -12.272 -21.418 1.00 0.00 C ATOM 588 OG1 THR A 37 11.284 -13.246 -22.467 1.00 0.00 O ATOM 589 CG2 THR A 37 11.038 -10.888 -22.009 1.00 0.00 C ATOM 0 H THR A 37 11.713 -10.814 -19.447 1.00 0.00 H new ATOM 0 HA THR A 37 12.673 -13.307 -20.162 1.00 0.00 H new ATOM 0 HB THR A 37 10.438 -12.494 -20.737 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.443 -13.208 -22.969 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.103 -10.877 -22.569 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.989 -10.153 -21.206 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.864 -10.641 -22.677 1.00 0.00 H new ATOM 597 N ASN A 38 14.126 -10.825 -21.727 1.00 0.00 N ATOM 598 CA ASN A 38 15.232 -10.467 -22.608 1.00 0.00 C ATOM 599 C ASN A 38 16.522 -10.284 -21.815 1.00 0.00 C ATOM 600 O ASN A 38 16.518 -10.314 -20.584 1.00 0.00 O ATOM 601 CB ASN A 38 14.904 -9.183 -23.374 1.00 0.00 C ATOM 602 CG ASN A 38 15.491 -9.179 -24.773 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.253 -8.283 -25.136 1.00 0.00 O ATOM 604 ND2 ASN A 38 15.137 -10.184 -25.565 1.00 0.00 N ATOM 0 H ASN A 38 13.687 -10.033 -21.257 1.00 0.00 H new ATOM 0 HA ASN A 38 15.377 -11.280 -23.319 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.822 -9.067 -23.436 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.285 -8.325 -22.820 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.500 -10.235 -26.517 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.502 -10.905 -25.221 1.00 0.00 H new ATOM 611 N LYS A 39 17.627 -10.094 -22.529 1.00 0.00 N ATOM 612 CA LYS A 39 18.925 -9.904 -21.895 1.00 0.00 C ATOM 613 C LYS A 39 19.476 -8.512 -22.188 1.00 0.00 C ATOM 614 O LYS A 39 20.259 -7.967 -21.410 1.00 0.00 O ATOM 615 CB LYS A 39 19.913 -10.967 -22.379 1.00 0.00 C ATOM 616 CG LYS A 39 19.887 -11.182 -23.883 1.00 0.00 C ATOM 617 CD LYS A 39 21.081 -11.997 -24.351 1.00 0.00 C ATOM 618 CE LYS A 39 20.924 -13.468 -23.997 1.00 0.00 C ATOM 619 NZ LYS A 39 19.848 -14.119 -24.796 1.00 0.00 N ATOM 0 H LYS A 39 17.648 -10.068 -23.548 1.00 0.00 H new ATOM 0 HA LYS A 39 18.792 -10.004 -20.818 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.920 -10.678 -22.079 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.691 -11.911 -21.882 1.00 0.00 H new ATOM 0 HG2 LYS A 39 18.965 -11.692 -24.163 1.00 0.00 H new ATOM 0 HG3 LYS A 39 19.883 -10.217 -24.389 1.00 0.00 H new ATOM 0 HD2 LYS A 39 21.195 -11.891 -25.430 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.991 -11.607 -23.895 1.00 0.00 H new ATOM 0 HE2 LYS A 39 21.868 -13.986 -24.169 1.00 0.00 H new ATOM 0 HE3 LYS A 39 20.697 -13.564 -22.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 19.956 -15.152 -24.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 18.920 -13.850 -24.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 19.916 -13.810 -25.787 1.00 0.00 H new ATOM 633 N ASP A 40 19.061 -7.941 -23.313 1.00 0.00 N ATOM 634 CA ASP A 40 19.511 -6.612 -23.708 1.00 0.00 C ATOM 635 C ASP A 40 18.774 -5.533 -22.920 1.00 0.00 C ATOM 636 O ASP A 40 19.395 -4.646 -22.333 1.00 0.00 O ATOM 637 CB ASP A 40 19.296 -6.401 -25.208 1.00 0.00 C ATOM 638 CG ASP A 40 20.197 -7.283 -26.050 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.181 -7.822 -25.502 1.00 0.00 O ATOM 640 OD2 ASP A 40 19.918 -7.434 -27.259 1.00 0.00 O ATOM 0 H ASP A 40 18.413 -8.378 -23.968 1.00 0.00 H new ATOM 0 HA ASP A 40 20.576 -6.536 -23.488 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.255 -6.608 -25.456 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.481 -5.356 -25.455 1.00 0.00 H new ATOM 645 N TRP A 41 17.448 -5.614 -22.913 1.00 0.00 N ATOM 646 CA TRP A 41 16.627 -4.644 -22.198 1.00 0.00 C ATOM 647 C TRP A 41 15.629 -5.344 -21.284 1.00 0.00 C ATOM 648 O TRP A 41 15.073 -6.384 -21.638 1.00 0.00 O ATOM 649 CB TRP A 41 15.886 -3.744 -23.189 1.00 0.00 C ATOM 650 CG TRP A 41 16.784 -3.130 -24.220 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.315 -3.747 -25.316 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.257 -1.779 -24.249 1.00 0.00 C ATOM 653 NE1 TRP A 41 18.090 -2.860 -26.025 1.00 0.00 N ATOM 654 CE2 TRP A 41 18.070 -1.646 -25.392 1.00 0.00 C ATOM 655 CE3 TRP A 41 17.071 -0.667 -23.422 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.695 -0.448 -25.725 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.693 0.521 -23.754 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.496 0.624 -24.898 1.00 0.00 C ATOM 0 H TRP A 41 16.919 -6.341 -23.394 1.00 0.00 H new ATOM 0 HA TRP A 41 17.286 -4.031 -21.583 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.114 -4.327 -23.691 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.380 -2.950 -22.640 1.00 0.00 H new ATOM 0 HD1 TRP A 41 17.150 -4.780 -25.586 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.598 -3.072 -26.884 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.452 -0.736 -22.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.315 -0.367 -26.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.558 1.386 -23.121 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.967 1.568 -25.131 1.00 0.00 H new ATOM 669 N TRP A 42 15.406 -4.769 -20.108 1.00 0.00 N ATOM 670 CA TRP A 42 14.473 -5.339 -19.143 1.00 0.00 C ATOM 671 C TRP A 42 13.314 -4.385 -18.876 1.00 0.00 C ATOM 672 O TRP A 42 13.431 -3.177 -19.083 1.00 0.00 O ATOM 673 CB TRP A 42 15.195 -5.662 -17.834 1.00 0.00 C ATOM 674 CG TRP A 42 16.349 -6.603 -18.009 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.493 -7.551 -18.981 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.519 -6.686 -17.187 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.683 -8.219 -18.813 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.330 -7.706 -17.721 1.00 0.00 C ATOM 679 CE3 TRP A 42 17.960 -5.997 -16.055 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.556 -8.052 -17.158 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.177 -6.342 -15.497 1.00 0.00 C ATOM 682 CH2 TRP A 42 19.964 -7.361 -16.049 1.00 0.00 C ATOM 0 H TRP A 42 15.858 -3.908 -19.800 1.00 0.00 H new ATOM 0 HA TRP A 42 14.071 -6.260 -19.565 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.556 -4.735 -17.388 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.483 -6.098 -17.133 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.778 -7.747 -19.766 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.028 -8.974 -19.406 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.361 -5.209 -15.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.164 -8.838 -17.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.527 -5.817 -14.621 1.00 0.00 H new ATOM 0 HH2 TRP A 42 20.911 -7.606 -15.591 1.00 0.00 H new ATOM 693 N LYS A 43 12.195 -4.934 -18.415 1.00 0.00 N ATOM 694 CA LYS A 43 11.014 -4.131 -18.118 1.00 0.00 C ATOM 695 C LYS A 43 10.936 -3.809 -16.629 1.00 0.00 C ATOM 696 O LYS A 43 10.738 -4.697 -15.801 1.00 0.00 O ATOM 697 CB LYS A 43 9.748 -4.868 -18.558 1.00 0.00 C ATOM 698 CG LYS A 43 8.470 -4.089 -18.300 1.00 0.00 C ATOM 699 CD LYS A 43 8.091 -3.228 -19.494 1.00 0.00 C ATOM 700 CE LYS A 43 7.017 -3.893 -20.341 1.00 0.00 C ATOM 701 NZ LYS A 43 6.159 -2.892 -21.035 1.00 0.00 N ATOM 0 H LYS A 43 12.081 -5.932 -18.239 1.00 0.00 H new ATOM 0 HA LYS A 43 11.093 -3.195 -18.671 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.819 -5.091 -19.623 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.693 -5.823 -18.035 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.659 -4.782 -18.078 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.599 -3.457 -17.421 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.734 -2.259 -19.146 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.974 -3.042 -20.105 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.487 -4.543 -21.079 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.396 -4.527 -19.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.236 -3.319 -21.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.021 -2.066 -20.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.620 -2.592 -21.917 1.00 0.00 H new ATOM 715 N VAL A 44 11.092 -2.531 -16.296 1.00 0.00 N ATOM 716 CA VAL A 44 11.036 -2.091 -14.907 1.00 0.00 C ATOM 717 C VAL A 44 9.878 -1.126 -14.683 1.00 0.00 C ATOM 718 O VAL A 44 9.375 -0.515 -15.625 1.00 0.00 O ATOM 719 CB VAL A 44 12.349 -1.408 -14.482 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.534 -2.333 -14.718 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.532 -0.094 -15.227 1.00 0.00 C ATOM 0 H VAL A 44 11.258 -1.783 -16.969 1.00 0.00 H new ATOM 0 HA VAL A 44 10.885 -2.982 -14.298 1.00 0.00 H new ATOM 0 HB VAL A 44 12.295 -1.190 -13.415 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.453 -1.833 -14.412 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.406 -3.245 -14.135 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.594 -2.585 -15.777 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.465 0.375 -14.914 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.564 -0.285 -16.300 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.698 0.571 -15.002 1.00 0.00 H new ATOM 731 N GLU A 45 9.460 -0.993 -13.428 1.00 0.00 N ATOM 732 CA GLU A 45 8.360 -0.101 -13.080 1.00 0.00 C ATOM 733 C GLU A 45 8.862 1.096 -12.278 1.00 0.00 C ATOM 734 O GLU A 45 9.671 0.948 -11.362 1.00 0.00 O ATOM 735 CB GLU A 45 7.296 -0.855 -12.279 1.00 0.00 C ATOM 736 CG GLU A 45 6.177 0.034 -11.764 1.00 0.00 C ATOM 737 CD GLU A 45 4.991 -0.758 -11.252 1.00 0.00 C ATOM 738 OE1 GLU A 45 4.143 -1.159 -12.076 1.00 0.00 O ATOM 739 OE2 GLU A 45 4.910 -0.978 -10.025 1.00 0.00 O ATOM 0 H GLU A 45 9.866 -1.491 -12.636 1.00 0.00 H new ATOM 0 HA GLU A 45 7.916 0.265 -14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.868 -1.637 -12.906 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.773 -1.350 -11.433 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.560 0.666 -10.963 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.848 0.697 -12.564 1.00 0.00 H new ATOM 746 N VAL A 46 8.377 2.282 -12.629 1.00 0.00 N ATOM 747 CA VAL A 46 8.776 3.505 -11.943 1.00 0.00 C ATOM 748 C VAL A 46 7.597 4.131 -11.206 1.00 0.00 C ATOM 749 O VAL A 46 6.438 3.856 -11.519 1.00 0.00 O ATOM 750 CB VAL A 46 9.359 4.537 -12.926 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.120 5.619 -12.177 1.00 0.00 C ATOM 752 CG2 VAL A 46 10.255 3.852 -13.947 1.00 0.00 C ATOM 0 H VAL A 46 7.707 2.422 -13.385 1.00 0.00 H new ATOM 0 HA VAL A 46 9.545 3.227 -11.223 1.00 0.00 H new ATOM 0 HB VAL A 46 8.535 5.011 -13.459 1.00 0.00 H new ATOM 0 HG11 VAL A 46 10.524 6.339 -12.889 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.445 6.129 -11.489 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.937 5.167 -11.615 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.659 4.596 -14.634 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.075 3.350 -13.433 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.674 3.119 -14.507 1.00 0.00 H new ATOM 762 N LYS A 47 7.899 4.975 -10.225 1.00 0.00 N ATOM 763 CA LYS A 47 6.865 5.643 -9.444 1.00 0.00 C ATOM 764 C LYS A 47 6.765 7.117 -9.822 1.00 0.00 C ATOM 765 O LYS A 47 7.768 7.756 -10.141 1.00 0.00 O ATOM 766 CB LYS A 47 7.161 5.508 -7.948 1.00 0.00 C ATOM 767 CG LYS A 47 6.532 4.280 -7.313 1.00 0.00 C ATOM 768 CD LYS A 47 5.158 4.589 -6.743 1.00 0.00 C ATOM 769 CE LYS A 47 4.843 3.713 -5.540 1.00 0.00 C ATOM 770 NZ LYS A 47 5.767 3.980 -4.403 1.00 0.00 N ATOM 0 H LYS A 47 8.853 5.213 -9.952 1.00 0.00 H new ATOM 0 HA LYS A 47 5.911 5.164 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.240 5.470 -7.802 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.800 6.398 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.449 3.487 -8.056 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.180 3.907 -6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.111 5.638 -6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.401 4.438 -7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.815 3.889 -5.222 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.913 2.664 -5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.297 3.733 -3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.627 3.406 -4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.022 4.988 -4.393 1.00 0.00 H new ATOM 784 N ALA A 48 5.549 7.652 -9.783 1.00 0.00 N ATOM 785 CA ALA A 48 5.319 9.052 -10.118 1.00 0.00 C ATOM 786 C ALA A 48 4.204 9.645 -9.263 1.00 0.00 C ATOM 787 O ALA A 48 3.396 8.917 -8.685 1.00 0.00 O ATOM 788 CB ALA A 48 4.985 9.193 -11.595 1.00 0.00 C ATOM 0 H ALA A 48 4.708 7.137 -9.523 1.00 0.00 H new ATOM 0 HA ALA A 48 6.235 9.605 -9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.816 10.244 -11.831 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.814 8.816 -12.193 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.085 8.621 -11.821 1.00 0.00 H new ATOM 794 N THR A 49 4.166 10.972 -9.185 1.00 0.00 N ATOM 795 CA THR A 49 3.152 11.662 -8.399 1.00 0.00 C ATOM 796 C THR A 49 2.607 12.874 -9.147 1.00 0.00 C ATOM 797 O THR A 49 3.365 13.742 -9.578 1.00 0.00 O ATOM 798 CB THR A 49 3.711 12.122 -7.040 1.00 0.00 C ATOM 799 OG1 THR A 49 4.641 11.154 -6.540 1.00 0.00 O ATOM 800 CG2 THR A 49 2.589 12.322 -6.032 1.00 0.00 C ATOM 0 H THR A 49 4.826 11.590 -9.657 1.00 0.00 H new ATOM 0 HA THR A 49 2.345 10.949 -8.229 1.00 0.00 H new ATOM 0 HB THR A 49 4.221 13.074 -7.186 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.993 11.454 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.009 12.647 -5.080 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.899 13.080 -6.402 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.055 11.382 -5.891 1.00 0.00 H new ATOM 808 N ALA A 50 1.287 12.926 -9.298 1.00 0.00 N ATOM 809 CA ALA A 50 0.641 14.033 -9.992 1.00 0.00 C ATOM 810 C ALA A 50 -0.822 14.160 -9.580 1.00 0.00 C ATOM 811 O ALA A 50 -1.470 13.170 -9.246 1.00 0.00 O ATOM 812 CB ALA A 50 0.753 13.849 -11.498 1.00 0.00 C ATOM 0 H ALA A 50 0.645 12.214 -8.949 1.00 0.00 H new ATOM 0 HA ALA A 50 1.152 14.954 -9.711 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.266 14.683 -12.004 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.804 13.815 -11.783 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.269 12.916 -11.788 1.00 0.00 H new ATOM 818 N ASN A 51 -1.334 15.386 -9.605 1.00 0.00 N ATOM 819 CA ASN A 51 -2.721 15.643 -9.233 1.00 0.00 C ATOM 820 C ASN A 51 -3.004 15.148 -7.817 1.00 0.00 C ATOM 821 O ASN A 51 -4.110 14.704 -7.514 1.00 0.00 O ATOM 822 CB ASN A 51 -3.670 14.964 -10.222 1.00 0.00 C ATOM 823 CG ASN A 51 -3.157 15.020 -11.648 1.00 0.00 C ATOM 824 OD1 ASN A 51 -3.129 16.083 -12.268 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.748 13.872 -12.175 1.00 0.00 N ATOM 0 H ASN A 51 -0.810 16.217 -9.879 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.886 16.720 -9.263 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.811 13.923 -9.930 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.647 15.444 -10.171 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.393 13.848 -13.131 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.789 13.015 -11.624 1.00 0.00 H new ATOM 832 N GLY A 52 -1.996 15.230 -6.955 1.00 0.00 N ATOM 833 CA GLY A 52 -2.156 14.788 -5.582 1.00 0.00 C ATOM 834 C GLY A 52 -2.344 13.288 -5.474 1.00 0.00 C ATOM 835 O GLY A 52 -2.880 12.791 -4.483 1.00 0.00 O ATOM 0 H GLY A 52 -1.071 15.595 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.281 15.084 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.015 15.292 -5.139 1.00 0.00 H new ATOM 839 N LYS A 53 -1.904 12.563 -6.497 1.00 0.00 N ATOM 840 CA LYS A 53 -2.027 11.110 -6.514 1.00 0.00 C ATOM 841 C LYS A 53 -0.724 10.460 -6.970 1.00 0.00 C ATOM 842 O LYS A 53 0.108 11.098 -7.616 1.00 0.00 O ATOM 843 CB LYS A 53 -3.171 10.685 -7.437 1.00 0.00 C ATOM 844 CG LYS A 53 -4.549 10.887 -6.830 1.00 0.00 C ATOM 845 CD LYS A 53 -4.920 9.747 -5.896 1.00 0.00 C ATOM 846 CE LYS A 53 -5.159 8.455 -6.663 1.00 0.00 C ATOM 847 NZ LYS A 53 -6.134 7.570 -5.967 1.00 0.00 N ATOM 0 H LYS A 53 -1.459 12.958 -7.325 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.244 10.777 -5.499 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.106 11.251 -8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.047 9.633 -7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.572 11.829 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.290 10.963 -7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.123 9.597 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.817 10.011 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.529 8.688 -7.662 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.214 7.927 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.270 6.700 -6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.770 7.327 -5.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.044 8.064 -5.870 1.00 0.00 H new ATOM 861 N THR A 54 -0.553 9.186 -6.630 1.00 0.00 N ATOM 862 CA THR A 54 0.647 8.450 -7.005 1.00 0.00 C ATOM 863 C THR A 54 0.324 7.339 -7.997 1.00 0.00 C ATOM 864 O THR A 54 -0.595 6.549 -7.782 1.00 0.00 O ATOM 865 CB THR A 54 1.337 7.836 -5.772 1.00 0.00 C ATOM 866 OG1 THR A 54 0.369 7.567 -4.752 1.00 0.00 O ATOM 867 CG2 THR A 54 2.407 8.771 -5.228 1.00 0.00 C ATOM 0 H THR A 54 -1.231 8.643 -6.095 1.00 0.00 H new ATOM 0 HA THR A 54 1.323 9.166 -7.473 1.00 0.00 H new ATOM 0 HB THR A 54 1.812 6.904 -6.077 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.815 7.175 -3.972 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.880 8.316 -4.358 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.158 8.951 -5.997 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.950 9.718 -4.939 1.00 0.00 H new ATOM 875 N TYR A 55 1.085 7.284 -9.085 1.00 0.00 N ATOM 876 CA TYR A 55 0.877 6.270 -10.112 1.00 0.00 C ATOM 877 C TYR A 55 2.206 5.670 -10.562 1.00 0.00 C ATOM 878 O TYR A 55 3.243 6.332 -10.522 1.00 0.00 O ATOM 879 CB TYR A 55 0.145 6.873 -11.312 1.00 0.00 C ATOM 880 CG TYR A 55 0.919 7.973 -12.004 1.00 0.00 C ATOM 881 CD1 TYR A 55 0.909 9.272 -11.510 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.660 7.713 -13.150 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.613 10.280 -12.139 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.369 8.715 -13.784 1.00 0.00 C ATOM 885 CZ TYR A 55 2.342 9.997 -13.276 1.00 0.00 C ATOM 886 OH TYR A 55 3.046 10.998 -13.904 1.00 0.00 O ATOM 0 H TYR A 55 1.851 7.929 -9.278 1.00 0.00 H new ATOM 0 HA TYR A 55 0.266 5.475 -9.684 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.068 6.082 -12.031 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.815 7.269 -10.980 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.341 9.497 -10.619 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.682 6.711 -13.552 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.593 11.285 -11.743 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.942 8.496 -14.673 1.00 0.00 H new ATOM 0 HH TYR A 55 3.506 10.632 -14.688 1.00 0.00 H new ATOM 896 N GLU A 56 2.166 4.412 -10.989 1.00 0.00 N ATOM 897 CA GLU A 56 3.366 3.722 -11.446 1.00 0.00 C ATOM 898 C GLU A 56 3.307 3.465 -12.949 1.00 0.00 C ATOM 899 O GLU A 56 2.244 3.173 -13.498 1.00 0.00 O ATOM 900 CB GLU A 56 3.537 2.399 -10.697 1.00 0.00 C ATOM 901 CG GLU A 56 3.706 2.567 -9.197 1.00 0.00 C ATOM 902 CD GLU A 56 3.725 1.241 -8.460 1.00 0.00 C ATOM 903 OE1 GLU A 56 2.796 0.433 -8.671 1.00 0.00 O ATOM 904 OE2 GLU A 56 4.667 1.012 -7.674 1.00 0.00 O ATOM 0 H GLU A 56 1.316 3.850 -11.028 1.00 0.00 H new ATOM 0 HA GLU A 56 4.223 4.362 -11.238 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.669 1.768 -10.888 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.406 1.875 -11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.634 3.103 -8.997 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.893 3.182 -8.810 1.00 0.00 H new ATOM 911 N ARG A 57 4.455 3.576 -13.608 1.00 0.00 N ATOM 912 CA ARG A 57 4.535 3.357 -15.048 1.00 0.00 C ATOM 913 C ARG A 57 5.611 2.329 -15.383 1.00 0.00 C ATOM 914 O ARG A 57 6.722 2.387 -14.857 1.00 0.00 O ATOM 915 CB ARG A 57 4.828 4.673 -15.770 1.00 0.00 C ATOM 916 CG ARG A 57 6.015 5.430 -15.197 1.00 0.00 C ATOM 917 CD ARG A 57 6.261 6.730 -15.948 1.00 0.00 C ATOM 918 NE ARG A 57 6.320 6.525 -17.393 1.00 0.00 N ATOM 919 CZ ARG A 57 6.227 7.511 -18.279 1.00 0.00 C ATOM 920 NH1 ARG A 57 6.073 8.762 -17.870 1.00 0.00 N ATOM 921 NH2 ARG A 57 6.289 7.245 -19.577 1.00 0.00 N ATOM 0 H ARG A 57 5.343 3.816 -13.168 1.00 0.00 H new ATOM 0 HA ARG A 57 3.573 2.972 -15.386 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.014 4.466 -16.824 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.944 5.309 -15.721 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.837 5.645 -14.143 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.906 4.804 -15.248 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.467 7.439 -15.715 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.196 7.175 -15.607 1.00 0.00 H new ATOM 0 HE ARG A 57 6.439 5.574 -17.741 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.026 8.970 -16.873 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.002 9.517 -18.553 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.408 6.283 -19.895 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.218 8.002 -20.257 1.00 0.00 H new ATOM 935 N GLN A 58 5.273 1.391 -16.261 1.00 0.00 N ATOM 936 CA GLN A 58 6.211 0.350 -16.665 1.00 0.00 C ATOM 937 C GLN A 58 6.953 0.749 -17.936 1.00 0.00 C ATOM 938 O GLN A 58 6.348 1.227 -18.895 1.00 0.00 O ATOM 939 CB GLN A 58 5.475 -0.973 -16.883 1.00 0.00 C ATOM 940 CG GLN A 58 4.985 -1.616 -15.596 1.00 0.00 C ATOM 941 CD GLN A 58 3.950 -2.696 -15.840 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.772 -2.526 -15.524 1.00 0.00 O ATOM 943 NE2 GLN A 58 4.384 -3.816 -16.406 1.00 0.00 N ATOM 0 H GLN A 58 4.357 1.330 -16.706 1.00 0.00 H new ATOM 0 HA GLN A 58 6.941 0.224 -15.865 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.623 -0.801 -17.541 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.139 -1.668 -17.397 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.833 -2.045 -15.063 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.558 -0.848 -14.951 1.00 0.00 H new ATOM 0 HE21 GLN A 58 5.369 -3.915 -16.652 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.732 -4.578 -16.595 1.00 0.00 H new ATOM 952 N GLY A 59 8.267 0.549 -17.937 1.00 0.00 N ATOM 953 CA GLY A 59 9.070 0.894 -19.096 1.00 0.00 C ATOM 954 C GLY A 59 10.225 -0.065 -19.307 1.00 0.00 C ATOM 955 O GLY A 59 10.374 -1.040 -18.572 1.00 0.00 O ATOM 0 H GLY A 59 8.790 0.154 -17.156 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.438 0.898 -19.984 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.459 1.905 -18.977 1.00 0.00 H new ATOM 959 N PHE A 60 11.043 0.212 -20.317 1.00 0.00 N ATOM 960 CA PHE A 60 12.190 -0.635 -20.625 1.00 0.00 C ATOM 961 C PHE A 60 13.499 0.105 -20.367 1.00 0.00 C ATOM 962 O PHE A 60 13.593 1.314 -20.580 1.00 0.00 O ATOM 963 CB PHE A 60 12.131 -1.098 -22.083 1.00 0.00 C ATOM 964 CG PHE A 60 10.862 -1.822 -22.432 1.00 0.00 C ATOM 965 CD1 PHE A 60 10.765 -3.194 -22.269 1.00 0.00 C ATOM 966 CD2 PHE A 60 9.766 -1.130 -22.921 1.00 0.00 C ATOM 967 CE1 PHE A 60 9.599 -3.863 -22.590 1.00 0.00 C ATOM 968 CE2 PHE A 60 8.597 -1.793 -23.244 1.00 0.00 C ATOM 969 CZ PHE A 60 8.513 -3.162 -23.077 1.00 0.00 C ATOM 0 H PHE A 60 10.933 1.015 -20.936 1.00 0.00 H new ATOM 0 HA PHE A 60 12.152 -1.507 -19.972 1.00 0.00 H new ATOM 0 HB2 PHE A 60 12.236 -0.231 -22.735 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.980 -1.752 -22.283 1.00 0.00 H new ATOM 0 HD1 PHE A 60 11.610 -3.747 -21.887 1.00 0.00 H new ATOM 0 HD2 PHE A 60 9.826 -0.060 -23.051 1.00 0.00 H new ATOM 0 HE1 PHE A 60 9.537 -4.933 -22.460 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.751 -1.242 -23.626 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.600 -3.683 -23.327 1.00 0.00 H new ATOM 979 N VAL A 61 14.506 -0.629 -19.906 1.00 0.00 N ATOM 980 CA VAL A 61 15.810 -0.044 -19.619 1.00 0.00 C ATOM 981 C VAL A 61 16.938 -0.953 -20.093 1.00 0.00 C ATOM 982 O VAL A 61 16.785 -2.171 -20.196 1.00 0.00 O ATOM 983 CB VAL A 61 15.984 0.228 -18.113 1.00 0.00 C ATOM 984 CG1 VAL A 61 15.069 1.358 -17.665 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.716 -1.036 -17.310 1.00 0.00 C ATOM 0 H VAL A 61 14.444 -1.631 -19.723 1.00 0.00 H new ATOM 0 HA VAL A 61 15.858 0.901 -20.160 1.00 0.00 H new ATOM 0 HB VAL A 61 17.014 0.534 -17.933 1.00 0.00 H new ATOM 0 HG11 VAL A 61 15.206 1.536 -16.598 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.313 2.265 -18.218 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.032 1.084 -17.857 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.843 -0.826 -16.248 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.696 -1.374 -17.493 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.416 -1.815 -17.613 1.00 0.00 H new ATOM 995 N PRO A 62 18.099 -0.351 -20.390 1.00 0.00 N ATOM 996 CA PRO A 62 19.276 -1.088 -20.858 1.00 0.00 C ATOM 997 C PRO A 62 19.892 -1.953 -19.762 1.00 0.00 C ATOM 998 O PRO A 62 20.390 -1.440 -18.760 1.00 0.00 O ATOM 999 CB PRO A 62 20.247 0.020 -21.273 1.00 0.00 C ATOM 1000 CG PRO A 62 19.842 1.202 -20.461 1.00 0.00 C ATOM 1001 CD PRO A 62 18.352 1.096 -20.291 1.00 0.00 C ATOM 0 HA PRO A 62 19.029 -1.781 -21.663 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.280 -0.263 -21.072 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.176 0.230 -22.340 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.346 1.203 -19.495 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.113 2.131 -20.962 1.00 0.00 H new ATOM 0 HD2 PRO A 62 18.028 1.496 -19.330 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.819 1.651 -21.063 1.00 0.00 H new ATOM 1009 N ALA A 63 19.854 -3.266 -19.961 1.00 0.00 N ATOM 1010 CA ALA A 63 20.411 -4.201 -18.991 1.00 0.00 C ATOM 1011 C ALA A 63 21.913 -3.994 -18.828 1.00 0.00 C ATOM 1012 O ALA A 63 22.516 -4.485 -17.874 1.00 0.00 O ATOM 1013 CB ALA A 63 20.116 -5.634 -19.410 1.00 0.00 C ATOM 0 H ALA A 63 19.444 -3.706 -20.784 1.00 0.00 H new ATOM 0 HA ALA A 63 19.938 -4.011 -18.027 1.00 0.00 H new ATOM 0 HB1 ALA A 63 20.538 -6.322 -18.677 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.038 -5.782 -19.468 1.00 0.00 H new ATOM 0 HB3 ALA A 63 20.561 -5.827 -20.386 1.00 0.00 H new ATOM 1019 N ALA A 64 22.510 -3.265 -19.765 1.00 0.00 N ATOM 1020 CA ALA A 64 23.941 -2.993 -19.724 1.00 0.00 C ATOM 1021 C ALA A 64 24.266 -1.921 -18.689 1.00 0.00 C ATOM 1022 O ALA A 64 25.391 -1.843 -18.193 1.00 0.00 O ATOM 1023 CB ALA A 64 24.438 -2.569 -21.098 1.00 0.00 C ATOM 0 H ALA A 64 22.025 -2.852 -20.562 1.00 0.00 H new ATOM 0 HA ALA A 64 24.452 -3.911 -19.432 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.509 -2.369 -21.052 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.248 -3.367 -21.816 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.914 -1.667 -21.412 1.00 0.00 H new ATOM 1029 N TYR A 65 23.276 -1.096 -18.367 1.00 0.00 N ATOM 1030 CA TYR A 65 23.458 -0.027 -17.393 1.00 0.00 C ATOM 1031 C TYR A 65 22.776 -0.371 -16.072 1.00 0.00 C ATOM 1032 O TYR A 65 23.064 0.229 -15.036 1.00 0.00 O ATOM 1033 CB TYR A 65 22.901 1.289 -17.939 1.00 0.00 C ATOM 1034 CG TYR A 65 23.645 1.805 -19.150 1.00 0.00 C ATOM 1035 CD1 TYR A 65 25.013 1.603 -19.288 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.980 2.494 -20.157 1.00 0.00 C ATOM 1037 CE1 TYR A 65 25.696 2.073 -20.393 1.00 0.00 C ATOM 1038 CE2 TYR A 65 23.655 2.967 -21.266 1.00 0.00 C ATOM 1039 CZ TYR A 65 25.013 2.754 -21.379 1.00 0.00 C ATOM 1040 OH TYR A 65 25.691 3.223 -22.481 1.00 0.00 O ATOM 0 H TYR A 65 22.339 -1.147 -18.767 1.00 0.00 H new ATOM 0 HA TYR A 65 24.527 0.086 -17.211 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.852 1.149 -18.200 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.936 2.043 -17.153 1.00 0.00 H new ATOM 0 HD1 TYR A 65 25.551 1.070 -18.518 1.00 0.00 H new ATOM 0 HD2 TYR A 65 21.917 2.663 -20.071 1.00 0.00 H new ATOM 0 HE1 TYR A 65 26.759 1.908 -20.484 1.00 0.00 H new ATOM 0 HE2 TYR A 65 23.122 3.500 -22.040 1.00 0.00 H new ATOM 0 HH TYR A 65 25.064 3.679 -23.081 1.00 0.00 H new ATOM 1050 N VAL A 66 21.871 -1.343 -16.117 1.00 0.00 N ATOM 1051 CA VAL A 66 21.148 -1.770 -14.925 1.00 0.00 C ATOM 1052 C VAL A 66 21.288 -3.272 -14.706 1.00 0.00 C ATOM 1053 O VAL A 66 21.229 -4.057 -15.652 1.00 0.00 O ATOM 1054 CB VAL A 66 19.653 -1.413 -15.017 1.00 0.00 C ATOM 1055 CG1 VAL A 66 19.475 0.059 -15.356 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.958 -2.293 -16.044 1.00 0.00 C ATOM 0 H VAL A 66 21.621 -1.850 -16.966 1.00 0.00 H new ATOM 0 HA VAL A 66 21.589 -1.240 -14.081 1.00 0.00 H new ATOM 0 HB VAL A 66 19.193 -1.595 -14.046 1.00 0.00 H new ATOM 0 HG11 VAL A 66 18.412 0.292 -15.417 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.937 0.669 -14.580 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.948 0.271 -16.315 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.902 -2.027 -16.096 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.418 -2.145 -17.021 1.00 0.00 H new ATOM 0 HG23 VAL A 66 19.055 -3.339 -15.752 1.00 0.00 H new ATOM 1066 N LYS A 67 21.474 -3.667 -13.451 1.00 0.00 N ATOM 1067 CA LYS A 67 21.621 -5.075 -13.105 1.00 0.00 C ATOM 1068 C LYS A 67 20.632 -5.474 -12.013 1.00 0.00 C ATOM 1069 O LYS A 67 20.397 -4.720 -11.069 1.00 0.00 O ATOM 1070 CB LYS A 67 23.051 -5.362 -12.642 1.00 0.00 C ATOM 1071 CG LYS A 67 23.292 -6.816 -12.274 1.00 0.00 C ATOM 1072 CD LYS A 67 23.564 -7.664 -13.505 1.00 0.00 C ATOM 1073 CE LYS A 67 24.921 -7.345 -14.113 1.00 0.00 C ATOM 1074 NZ LYS A 67 25.385 -8.422 -15.030 1.00 0.00 N ATOM 0 H LYS A 67 21.526 -3.030 -12.656 1.00 0.00 H new ATOM 0 HA LYS A 67 21.409 -5.666 -13.996 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.744 -5.077 -13.433 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.277 -4.735 -11.779 1.00 0.00 H new ATOM 0 HG2 LYS A 67 24.138 -6.884 -11.590 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.423 -7.208 -11.746 1.00 0.00 H new ATOM 0 HD2 LYS A 67 23.523 -8.720 -13.237 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.783 -7.493 -14.246 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.862 -6.404 -14.659 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.652 -7.206 -13.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 26.313 -8.167 -15.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 25.466 -9.315 -14.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.700 -8.537 -15.804 1.00 0.00 H new ATOM 1088 N LYS A 68 20.057 -6.663 -12.148 1.00 0.00 N ATOM 1089 CA LYS A 68 19.096 -7.164 -11.172 1.00 0.00 C ATOM 1090 C LYS A 68 19.791 -7.538 -9.867 1.00 0.00 C ATOM 1091 O LYS A 68 20.943 -7.974 -9.868 1.00 0.00 O ATOM 1092 CB LYS A 68 18.354 -8.379 -11.734 1.00 0.00 C ATOM 1093 CG LYS A 68 19.245 -9.590 -11.948 1.00 0.00 C ATOM 1094 CD LYS A 68 18.642 -10.555 -12.955 1.00 0.00 C ATOM 1095 CE LYS A 68 18.902 -10.105 -14.384 1.00 0.00 C ATOM 1096 NZ LYS A 68 18.776 -11.229 -15.352 1.00 0.00 N ATOM 0 H LYS A 68 20.239 -7.299 -12.924 1.00 0.00 H new ATOM 0 HA LYS A 68 18.378 -6.371 -10.966 1.00 0.00 H new ATOM 0 HB2 LYS A 68 17.547 -8.648 -11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 68 17.893 -8.106 -12.683 1.00 0.00 H new ATOM 0 HG2 LYS A 68 20.225 -9.265 -12.296 1.00 0.00 H new ATOM 0 HG3 LYS A 68 19.398 -10.102 -10.998 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.062 -11.549 -12.804 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.568 -10.633 -12.787 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.198 -9.316 -14.650 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.902 -9.677 -14.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 18.961 -10.881 -16.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.465 -11.971 -15.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.814 -11.622 -15.305 1.00 0.00 H new