USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 487 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 1 GLY N :NH3+ -144:sc= 0.0258 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -124:sc= -0.709 (180deg=-1.22) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot -74:sc= 1.88 USER MOD Single : A 26 HIS : no HD1:sc= -0.522 K(o=-0.52,f=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0219) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0871) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.276 K(o=0.28,f=-5.8!) USER MOD Single : A 43 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.059) USER MOD Single : A 48 ASN : amide:sc=-0.00876 K(o=-0.0088,f=-1.1) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -1.69 K(o=-1.7,f=-3!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.096) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.667 -22.277 -6.421 1.00 0.00 N ATOM 2 CA GLY A 1 17.825 -21.473 -6.006 1.00 0.00 C ATOM 3 C GLY A 1 17.401 -20.359 -5.079 1.00 0.00 C ATOM 4 O GLY A 1 16.537 -20.571 -4.220 1.00 0.00 O ATOM 0 H1 GLY A 1 16.948 -23.275 -6.502 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.910 -22.187 -5.714 1.00 0.00 H new ATOM 0 H3 GLY A 1 16.322 -21.939 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.555 -22.110 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.316 -21.054 -6.884 1.00 0.00 H new ATOM 10 N PRO A 2 17.994 -19.160 -5.211 1.00 0.00 N ATOM 11 CA PRO A 2 17.601 -17.990 -4.417 1.00 0.00 C ATOM 12 C PRO A 2 16.152 -17.608 -4.692 1.00 0.00 C ATOM 13 O PRO A 2 15.674 -17.722 -5.833 1.00 0.00 O ATOM 14 CB PRO A 2 18.546 -16.884 -4.911 1.00 0.00 C ATOM 15 CG PRO A 2 19.689 -17.616 -5.525 1.00 0.00 C ATOM 16 CD PRO A 2 19.090 -18.843 -6.142 1.00 0.00 C ATOM 0 HA PRO A 2 17.671 -18.168 -3.344 1.00 0.00 H new ATOM 0 HB2 PRO A 2 18.054 -16.236 -5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 2 18.877 -16.249 -4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 2 20.190 -17.004 -6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 2 20.436 -17.878 -4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 2 18.724 -18.653 -7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.812 -19.657 -6.212 1.00 0.00 H new ATOM 24 N LEU A 3 15.461 -17.148 -3.673 1.00 0.00 N ATOM 25 CA LEU A 3 14.064 -16.807 -3.813 1.00 0.00 C ATOM 26 C LEU A 3 13.912 -15.498 -4.566 1.00 0.00 C ATOM 27 O LEU A 3 14.507 -14.482 -4.197 1.00 0.00 O ATOM 28 CB LEU A 3 13.407 -16.703 -2.435 1.00 0.00 C ATOM 29 CG LEU A 3 11.927 -16.323 -2.416 1.00 0.00 C ATOM 30 CD1 LEU A 3 11.090 -17.380 -3.110 1.00 0.00 C ATOM 31 CD2 LEU A 3 11.453 -16.117 -0.990 1.00 0.00 C ATOM 0 H LEU A 3 15.844 -17.002 -2.739 1.00 0.00 H new ATOM 0 HA LEU A 3 13.568 -17.594 -4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 3 13.520 -17.662 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 3 13.957 -15.966 -1.849 1.00 0.00 H new ATOM 0 HG LEU A 3 11.807 -15.386 -2.960 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.040 -17.088 -3.084 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.414 -17.478 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 3 11.214 -18.335 -2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.397 -15.847 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.590 -17.039 -0.424 1.00 0.00 H new ATOM 0 HD23 LEU A 3 12.031 -15.317 -0.526 1.00 0.00 H new ATOM 43 N GLY A 4 13.130 -15.531 -5.626 1.00 0.00 N ATOM 44 CA GLY A 4 12.904 -14.348 -6.418 1.00 0.00 C ATOM 45 C GLY A 4 13.816 -14.291 -7.622 1.00 0.00 C ATOM 46 O GLY A 4 13.561 -13.552 -8.573 1.00 0.00 O ATOM 0 H GLY A 4 12.643 -16.365 -5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.865 -14.326 -6.748 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.062 -13.463 -5.801 1.00 0.00 H new ATOM 50 N SER A 5 14.875 -15.072 -7.594 1.00 0.00 N ATOM 51 CA SER A 5 15.809 -15.096 -8.691 1.00 0.00 C ATOM 52 C SER A 5 15.590 -16.334 -9.537 1.00 0.00 C ATOM 53 O SER A 5 15.884 -17.450 -9.111 1.00 0.00 O ATOM 54 CB SER A 5 17.247 -15.036 -8.175 1.00 0.00 C ATOM 55 OG SER A 5 17.463 -13.852 -7.420 1.00 0.00 O ATOM 0 H SER A 5 15.107 -15.697 -6.822 1.00 0.00 H new ATOM 0 HA SER A 5 15.639 -14.218 -9.314 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.453 -15.910 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.941 -15.069 -9.015 1.00 0.00 H new ATOM 0 HG SER A 5 18.388 -13.834 -7.098 1.00 0.00 H new ATOM 61 N LYS A 6 15.060 -16.131 -10.724 1.00 0.00 N ATOM 62 CA LYS A 6 14.771 -17.223 -11.617 1.00 0.00 C ATOM 63 C LYS A 6 14.959 -16.800 -13.064 1.00 0.00 C ATOM 64 O LYS A 6 14.781 -15.616 -13.413 1.00 0.00 O ATOM 65 CB LYS A 6 13.344 -17.739 -11.391 1.00 0.00 C ATOM 66 CG LYS A 6 12.257 -16.730 -11.716 1.00 0.00 C ATOM 67 CD LYS A 6 10.884 -17.294 -11.424 1.00 0.00 C ATOM 68 CE LYS A 6 9.794 -16.289 -11.748 1.00 0.00 C ATOM 69 NZ LYS A 6 8.449 -16.825 -11.454 1.00 0.00 N ATOM 0 H LYS A 6 14.820 -15.210 -11.092 1.00 0.00 H new ATOM 0 HA LYS A 6 15.470 -18.032 -11.403 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.191 -18.630 -12.001 1.00 0.00 H new ATOM 0 HB3 LYS A 6 13.241 -18.044 -10.350 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.412 -15.823 -11.132 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.321 -16.448 -12.767 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.730 -18.202 -12.008 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.821 -17.576 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.956 -15.378 -11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.854 -16.015 -12.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.731 -16.110 -11.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.284 -17.680 -12.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.383 -17.063 -10.444 1.00 0.00 H new ATOM 83 N TYR A 7 15.315 -17.756 -13.891 1.00 0.00 N ATOM 84 CA TYR A 7 15.473 -17.544 -15.316 1.00 0.00 C ATOM 85 C TYR A 7 14.364 -18.269 -16.049 1.00 0.00 C ATOM 86 O TYR A 7 14.426 -18.489 -17.242 1.00 0.00 O ATOM 87 CB TYR A 7 16.846 -18.037 -15.782 1.00 0.00 C ATOM 88 CG TYR A 7 17.996 -17.316 -15.116 1.00 0.00 C ATOM 89 CD1 TYR A 7 18.467 -16.110 -15.613 1.00 0.00 C ATOM 90 CD2 TYR A 7 18.605 -17.843 -13.985 1.00 0.00 C ATOM 91 CE1 TYR A 7 19.512 -15.449 -14.999 1.00 0.00 C ATOM 92 CE2 TYR A 7 19.648 -17.188 -13.366 1.00 0.00 C ATOM 93 CZ TYR A 7 20.100 -15.995 -13.878 1.00 0.00 C ATOM 94 OH TYR A 7 21.138 -15.336 -13.262 1.00 0.00 O ATOM 0 H TYR A 7 15.505 -18.713 -13.593 1.00 0.00 H new ATOM 0 HA TYR A 7 15.411 -16.478 -15.535 1.00 0.00 H new ATOM 0 HB2 TYR A 7 16.929 -19.105 -15.580 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.923 -17.910 -16.862 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.010 -15.682 -16.493 1.00 0.00 H new ATOM 0 HD2 TYR A 7 18.255 -18.783 -13.583 1.00 0.00 H new ATOM 0 HE1 TYR A 7 19.867 -14.509 -15.395 1.00 0.00 H new ATOM 0 HE2 TYR A 7 20.107 -17.610 -12.484 1.00 0.00 H new ATOM 0 HH TYR A 7 21.439 -15.853 -12.486 1.00 0.00 H new ATOM 104 N GLU A 8 13.352 -18.650 -15.308 1.00 0.00 N ATOM 105 CA GLU A 8 12.225 -19.348 -15.866 1.00 0.00 C ATOM 106 C GLU A 8 11.208 -18.340 -16.407 1.00 0.00 C ATOM 107 O GLU A 8 10.600 -17.592 -15.635 1.00 0.00 O ATOM 108 CB GLU A 8 11.579 -20.211 -14.778 1.00 0.00 C ATOM 109 CG GLU A 8 10.420 -21.072 -15.249 1.00 0.00 C ATOM 110 CD GLU A 8 9.790 -21.845 -14.115 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.977 -21.249 -13.373 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.102 -23.048 -13.949 1.00 0.00 O ATOM 0 H GLU A 8 13.289 -18.484 -14.304 1.00 0.00 H new ATOM 0 HA GLU A 8 12.558 -19.986 -16.685 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.343 -20.859 -14.348 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.227 -19.559 -13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.667 -20.440 -15.719 1.00 0.00 H new ATOM 0 HG3 GLU A 8 10.772 -21.768 -16.010 1.00 0.00 H new ATOM 119 N CYS A 9 11.054 -18.316 -17.725 1.00 0.00 N ATOM 120 CA CYS A 9 10.027 -17.522 -18.386 1.00 0.00 C ATOM 121 C CYS A 9 8.658 -18.051 -17.969 1.00 0.00 C ATOM 122 O CYS A 9 8.290 -19.161 -18.333 1.00 0.00 O ATOM 123 CB CYS A 9 10.221 -17.629 -19.913 1.00 0.00 C ATOM 124 SG CYS A 9 8.882 -16.959 -20.973 1.00 0.00 S ATOM 0 H CYS A 9 11.640 -18.849 -18.367 1.00 0.00 H new ATOM 0 HA CYS A 9 10.100 -16.473 -18.099 1.00 0.00 H new ATOM 0 HB2 CYS A 9 11.147 -17.117 -20.173 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.357 -18.681 -20.164 1.00 0.00 H new ATOM 129 N PRO A 10 7.889 -17.267 -17.192 1.00 0.00 N ATOM 130 CA PRO A 10 6.640 -17.744 -16.585 1.00 0.00 C ATOM 131 C PRO A 10 5.554 -18.069 -17.607 1.00 0.00 C ATOM 132 O PRO A 10 4.615 -18.797 -17.306 1.00 0.00 O ATOM 133 CB PRO A 10 6.205 -16.572 -15.696 1.00 0.00 C ATOM 134 CG PRO A 10 6.849 -15.381 -16.311 1.00 0.00 C ATOM 135 CD PRO A 10 8.167 -15.861 -16.844 1.00 0.00 C ATOM 0 HA PRO A 10 6.794 -18.680 -16.047 1.00 0.00 H new ATOM 0 HB2 PRO A 10 5.120 -16.471 -15.675 1.00 0.00 H new ATOM 0 HB3 PRO A 10 6.532 -16.712 -14.666 1.00 0.00 H new ATOM 0 HG2 PRO A 10 6.231 -14.970 -17.109 1.00 0.00 H new ATOM 0 HG3 PRO A 10 6.989 -14.589 -15.576 1.00 0.00 H new ATOM 0 HD2 PRO A 10 8.485 -15.285 -17.713 1.00 0.00 H new ATOM 0 HD3 PRO A 10 8.958 -15.778 -16.099 1.00 0.00 H new ATOM 143 N ILE A 11 5.687 -17.535 -18.809 1.00 0.00 N ATOM 144 CA ILE A 11 4.709 -17.786 -19.852 1.00 0.00 C ATOM 145 C ILE A 11 4.729 -19.261 -20.280 1.00 0.00 C ATOM 146 O ILE A 11 3.683 -19.899 -20.408 1.00 0.00 O ATOM 147 CB ILE A 11 4.918 -16.851 -21.069 1.00 0.00 C ATOM 148 CG1 ILE A 11 4.625 -15.404 -20.657 1.00 0.00 C ATOM 149 CG2 ILE A 11 4.009 -17.257 -22.228 1.00 0.00 C ATOM 150 CD1 ILE A 11 4.983 -14.378 -21.705 1.00 0.00 C ATOM 0 H ILE A 11 6.459 -16.928 -19.085 1.00 0.00 H new ATOM 0 HA ILE A 11 3.725 -17.566 -19.438 1.00 0.00 H new ATOM 0 HB ILE A 11 5.953 -16.935 -21.401 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.565 -15.312 -20.422 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.174 -15.180 -19.743 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.173 -16.586 -23.071 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.237 -18.280 -22.528 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.967 -17.195 -21.913 1.00 0.00 H new ATOM 0 HD11 ILE A 11 4.745 -13.381 -21.335 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.049 -14.438 -21.924 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.414 -14.573 -22.614 1.00 0.00 H new ATOM 162 N CYS A 12 5.923 -19.799 -20.460 1.00 0.00 N ATOM 163 CA CYS A 12 6.070 -21.177 -20.886 1.00 0.00 C ATOM 164 C CYS A 12 6.424 -22.076 -19.708 1.00 0.00 C ATOM 165 O CYS A 12 6.171 -23.286 -19.735 1.00 0.00 O ATOM 166 CB CYS A 12 7.137 -21.277 -21.974 1.00 0.00 C ATOM 167 SG CYS A 12 8.751 -20.560 -21.514 1.00 0.00 S ATOM 0 H CYS A 12 6.802 -19.302 -20.318 1.00 0.00 H new ATOM 0 HA CYS A 12 5.117 -21.516 -21.293 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.279 -22.327 -22.231 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.773 -20.776 -22.871 1.00 0.00 H new ATOM 172 N LEU A 13 7.006 -21.463 -18.674 1.00 0.00 N ATOM 173 CA LEU A 13 7.464 -22.148 -17.466 1.00 0.00 C ATOM 174 C LEU A 13 8.595 -23.123 -17.782 1.00 0.00 C ATOM 175 O LEU A 13 8.846 -24.054 -17.036 1.00 0.00 O ATOM 176 CB LEU A 13 6.299 -22.864 -16.760 1.00 0.00 C ATOM 177 CG LEU A 13 5.222 -21.964 -16.144 1.00 0.00 C ATOM 178 CD1 LEU A 13 4.036 -22.794 -15.681 1.00 0.00 C ATOM 179 CD2 LEU A 13 5.791 -21.168 -14.979 1.00 0.00 C ATOM 0 H LEU A 13 7.175 -20.457 -18.654 1.00 0.00 H new ATOM 0 HA LEU A 13 7.855 -21.393 -16.784 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.820 -23.528 -17.479 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.712 -23.493 -15.971 1.00 0.00 H new ATOM 0 HG LEU A 13 4.883 -21.266 -16.909 1.00 0.00 H new ATOM 0 HD11 LEU A 13 3.281 -22.139 -15.246 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.609 -23.325 -16.532 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.366 -23.514 -14.932 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.011 -20.535 -14.555 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.158 -21.853 -14.215 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.613 -20.544 -15.331 1.00 0.00 H new ATOM 191 N MET A 14 9.289 -22.892 -18.887 1.00 0.00 N ATOM 192 CA MET A 14 10.400 -23.759 -19.250 1.00 0.00 C ATOM 193 C MET A 14 11.722 -23.172 -18.783 1.00 0.00 C ATOM 194 O MET A 14 12.358 -23.700 -17.866 1.00 0.00 O ATOM 195 CB MET A 14 10.453 -24.010 -20.761 1.00 0.00 C ATOM 196 CG MET A 14 9.256 -24.756 -21.318 1.00 0.00 C ATOM 197 SD MET A 14 9.446 -25.173 -23.067 1.00 0.00 S ATOM 198 CE MET A 14 9.488 -23.545 -23.824 1.00 0.00 C ATOM 0 H MET A 14 9.108 -22.127 -19.537 1.00 0.00 H new ATOM 0 HA MET A 14 10.236 -24.713 -18.749 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.538 -23.051 -21.273 1.00 0.00 H new ATOM 0 HB3 MET A 14 11.356 -24.575 -20.991 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.104 -25.671 -20.745 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.361 -24.147 -21.189 1.00 0.00 H new ATOM 0 HE1 MET A 14 8.708 -23.476 -24.583 1.00 0.00 H new ATOM 0 HE2 MET A 14 9.320 -22.785 -23.061 1.00 0.00 H new ATOM 0 HE3 MET A 14 10.461 -23.385 -24.288 1.00 0.00 H new ATOM 208 N ALA A 15 12.106 -22.069 -19.405 1.00 0.00 N ATOM 209 CA ALA A 15 13.377 -21.398 -19.176 1.00 0.00 C ATOM 210 C ALA A 15 13.433 -20.210 -20.114 1.00 0.00 C ATOM 211 O ALA A 15 12.392 -19.783 -20.607 1.00 0.00 O ATOM 212 CB ALA A 15 14.540 -22.347 -19.462 1.00 0.00 C ATOM 0 H ALA A 15 11.527 -21.602 -20.103 1.00 0.00 H new ATOM 0 HA ALA A 15 13.458 -21.077 -18.137 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.483 -21.830 -19.286 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.473 -23.213 -18.804 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.495 -22.676 -20.500 1.00 0.00 H new ATOM 218 N LEU A 16 14.611 -19.680 -20.359 1.00 0.00 N ATOM 219 CA LEU A 16 14.760 -18.601 -21.309 1.00 0.00 C ATOM 220 C LEU A 16 15.331 -19.136 -22.608 1.00 0.00 C ATOM 221 O LEU A 16 16.510 -19.488 -22.675 1.00 0.00 O ATOM 222 CB LEU A 16 15.698 -17.529 -20.755 1.00 0.00 C ATOM 223 CG LEU A 16 15.259 -16.842 -19.469 1.00 0.00 C ATOM 224 CD1 LEU A 16 16.305 -15.845 -19.010 1.00 0.00 C ATOM 225 CD2 LEU A 16 13.918 -16.158 -19.660 1.00 0.00 C ATOM 0 H LEU A 16 15.479 -19.979 -19.914 1.00 0.00 H new ATOM 0 HA LEU A 16 13.779 -18.161 -21.489 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.673 -17.985 -20.583 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.834 -16.765 -21.521 1.00 0.00 H new ATOM 0 HG LEU A 16 15.150 -17.603 -18.696 1.00 0.00 H new ATOM 0 HD11 LEU A 16 15.971 -15.365 -18.090 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.247 -16.363 -18.829 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.450 -15.089 -19.781 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.621 -15.673 -18.730 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.000 -15.411 -20.449 1.00 0.00 H new ATOM 0 HD23 LEU A 16 13.168 -16.899 -19.938 1.00 0.00 H new ATOM 237 N ARG A 17 14.502 -19.214 -23.638 1.00 0.00 N ATOM 238 CA ARG A 17 14.975 -19.683 -24.930 1.00 0.00 C ATOM 239 C ARG A 17 15.945 -18.681 -25.549 1.00 0.00 C ATOM 240 O ARG A 17 16.995 -19.062 -26.063 1.00 0.00 O ATOM 241 CB ARG A 17 13.805 -19.944 -25.892 1.00 0.00 C ATOM 242 CG ARG A 17 14.216 -20.494 -27.268 1.00 0.00 C ATOM 243 CD ARG A 17 14.765 -21.924 -27.188 1.00 0.00 C ATOM 244 NE ARG A 17 16.032 -22.012 -26.448 1.00 0.00 N ATOM 245 CZ ARG A 17 16.541 -23.146 -25.953 1.00 0.00 C ATOM 246 NH1 ARG A 17 15.937 -24.308 -26.182 1.00 0.00 N ATOM 247 NH2 ARG A 17 17.656 -23.117 -25.236 1.00 0.00 N ATOM 0 H ARG A 17 13.514 -18.963 -23.606 1.00 0.00 H new ATOM 0 HA ARG A 17 15.499 -20.624 -24.764 1.00 0.00 H new ATOM 0 HB2 ARG A 17 13.118 -20.649 -25.424 1.00 0.00 H new ATOM 0 HB3 ARG A 17 13.257 -19.013 -26.037 1.00 0.00 H new ATOM 0 HG2 ARG A 17 13.354 -20.476 -27.935 1.00 0.00 H new ATOM 0 HG3 ARG A 17 14.972 -19.842 -27.706 1.00 0.00 H new ATOM 0 HD2 ARG A 17 14.025 -22.565 -26.708 1.00 0.00 H new ATOM 0 HD3 ARG A 17 14.913 -22.308 -28.198 1.00 0.00 H new ATOM 0 HE ARG A 17 16.559 -21.151 -26.302 1.00 0.00 H new ATOM 0 HH11 ARG A 17 15.082 -24.338 -26.737 1.00 0.00 H new ATOM 0 HH12 ARG A 17 16.329 -25.170 -25.803 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.127 -22.229 -25.061 1.00 0.00 H new ATOM 0 HH22 ARG A 17 18.043 -23.982 -24.859 1.00 0.00 H new ATOM 261 N GLU A 18 15.587 -17.403 -25.487 1.00 0.00 N ATOM 262 CA GLU A 18 16.442 -16.347 -26.030 1.00 0.00 C ATOM 263 C GLU A 18 16.949 -15.433 -24.931 1.00 0.00 C ATOM 264 O GLU A 18 17.906 -14.688 -25.131 1.00 0.00 O ATOM 265 CB GLU A 18 15.681 -15.518 -27.058 1.00 0.00 C ATOM 266 CG GLU A 18 15.237 -16.299 -28.272 1.00 0.00 C ATOM 267 CD GLU A 18 16.388 -16.893 -29.039 1.00 0.00 C ATOM 268 OE1 GLU A 18 17.286 -16.140 -29.461 1.00 0.00 O ATOM 269 OE2 GLU A 18 16.398 -18.117 -29.233 1.00 0.00 O ATOM 0 H GLU A 18 14.717 -17.072 -25.070 1.00 0.00 H new ATOM 0 HA GLU A 18 17.294 -16.830 -26.509 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.804 -15.081 -26.580 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.313 -14.691 -27.382 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.565 -17.098 -27.958 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.667 -15.644 -28.931 1.00 0.00 H new ATOM 276 N ALA A 19 16.300 -15.509 -23.772 1.00 0.00 N ATOM 277 CA ALA A 19 16.603 -14.650 -22.633 1.00 0.00 C ATOM 278 C ALA A 19 16.504 -13.169 -22.989 1.00 0.00 C ATOM 279 O ALA A 19 17.514 -12.494 -23.156 1.00 0.00 O ATOM 280 CB ALA A 19 17.968 -14.979 -22.030 1.00 0.00 C ATOM 0 H ALA A 19 15.545 -16.172 -23.597 1.00 0.00 H new ATOM 0 HA ALA A 19 15.845 -14.853 -21.876 1.00 0.00 H new ATOM 0 HB1 ALA A 19 18.160 -14.319 -21.184 1.00 0.00 H new ATOM 0 HB2 ALA A 19 17.976 -16.015 -21.692 1.00 0.00 H new ATOM 0 HB3 ALA A 19 18.742 -14.837 -22.784 1.00 0.00 H new ATOM 286 N VAL A 20 15.289 -12.675 -23.128 1.00 0.00 N ATOM 287 CA VAL A 20 15.090 -11.263 -23.382 1.00 0.00 C ATOM 288 C VAL A 20 14.594 -10.561 -22.126 1.00 0.00 C ATOM 289 O VAL A 20 13.512 -10.859 -21.605 1.00 0.00 O ATOM 290 CB VAL A 20 14.171 -10.966 -24.610 1.00 0.00 C ATOM 291 CG1 VAL A 20 14.854 -11.399 -25.901 1.00 0.00 C ATOM 292 CG2 VAL A 20 12.820 -11.653 -24.482 1.00 0.00 C ATOM 0 H VAL A 20 14.432 -13.225 -23.070 1.00 0.00 H new ATOM 0 HA VAL A 20 16.065 -10.857 -23.651 1.00 0.00 H new ATOM 0 HB VAL A 20 13.999 -9.890 -24.636 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.201 -11.186 -26.747 1.00 0.00 H new ATOM 0 HG12 VAL A 20 15.790 -10.853 -26.018 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.060 -12.469 -25.863 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.210 -11.422 -25.355 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.965 -12.731 -24.416 1.00 0.00 H new ATOM 0 HG23 VAL A 20 12.315 -11.299 -23.583 1.00 0.00 H new ATOM 302 N GLN A 21 15.427 -9.692 -21.610 1.00 0.00 N ATOM 303 CA GLN A 21 15.127 -8.951 -20.417 1.00 0.00 C ATOM 304 C GLN A 21 14.268 -7.733 -20.744 1.00 0.00 C ATOM 305 O GLN A 21 14.451 -7.093 -21.787 1.00 0.00 O ATOM 306 CB GLN A 21 16.418 -8.552 -19.699 1.00 0.00 C ATOM 307 CG GLN A 21 16.205 -7.872 -18.358 1.00 0.00 C ATOM 308 CD GLN A 21 17.507 -7.571 -17.653 1.00 0.00 C ATOM 309 OE1 GLN A 21 18.037 -8.408 -16.922 1.00 0.00 O ATOM 310 NE2 GLN A 21 18.031 -6.384 -17.861 1.00 0.00 N ATOM 0 H GLN A 21 16.340 -9.479 -22.012 1.00 0.00 H new ATOM 0 HA GLN A 21 14.554 -9.587 -19.743 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.026 -9.444 -19.548 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.987 -7.884 -20.345 1.00 0.00 H new ATOM 0 HG2 GLN A 21 15.653 -6.944 -18.508 1.00 0.00 H new ATOM 0 HG3 GLN A 21 15.590 -8.510 -17.723 1.00 0.00 H new ATOM 0 HE21 GLN A 21 17.560 -5.719 -18.474 1.00 0.00 H new ATOM 0 HE22 GLN A 21 18.909 -6.128 -17.409 1.00 0.00 H new ATOM 319 N THR A 22 13.336 -7.437 -19.873 1.00 0.00 N ATOM 320 CA THR A 22 12.497 -6.268 -20.007 1.00 0.00 C ATOM 321 C THR A 22 13.009 -5.169 -19.072 1.00 0.00 C ATOM 322 O THR A 22 13.714 -5.469 -18.107 1.00 0.00 O ATOM 323 CB THR A 22 11.045 -6.617 -19.622 1.00 0.00 C ATOM 324 OG1 THR A 22 11.032 -7.213 -18.323 1.00 0.00 O ATOM 325 CG2 THR A 22 10.448 -7.593 -20.612 1.00 0.00 C ATOM 0 H THR A 22 13.135 -8.001 -19.047 1.00 0.00 H new ATOM 0 HA THR A 22 12.526 -5.924 -21.041 1.00 0.00 H new ATOM 0 HB THR A 22 10.455 -5.700 -19.627 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.369 -8.131 -18.381 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.424 -7.825 -20.321 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.451 -7.149 -21.607 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.039 -8.509 -20.622 1.00 0.00 H new ATOM 333 N PRO A 23 12.658 -3.887 -19.327 1.00 0.00 N ATOM 334 CA PRO A 23 13.017 -2.772 -18.424 1.00 0.00 C ATOM 335 C PRO A 23 12.336 -2.931 -17.056 1.00 0.00 C ATOM 336 O PRO A 23 12.758 -2.356 -16.050 1.00 0.00 O ATOM 337 CB PRO A 23 12.473 -1.535 -19.158 1.00 0.00 C ATOM 338 CG PRO A 23 11.411 -2.070 -20.059 1.00 0.00 C ATOM 339 CD PRO A 23 11.905 -3.411 -20.507 1.00 0.00 C ATOM 0 HA PRO A 23 14.087 -2.718 -18.221 1.00 0.00 H new ATOM 0 HB2 PRO A 23 12.068 -0.805 -18.458 1.00 0.00 H new ATOM 0 HB3 PRO A 23 13.258 -1.033 -19.724 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.459 -2.157 -19.535 1.00 0.00 H new ATOM 0 HG3 PRO A 23 11.247 -1.408 -20.909 1.00 0.00 H new ATOM 0 HD2 PRO A 23 11.084 -4.081 -20.762 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.540 -3.335 -21.390 1.00 0.00 H new ATOM 347 N CYS A 24 11.281 -3.731 -17.046 1.00 0.00 N ATOM 348 CA CYS A 24 10.529 -4.045 -15.851 1.00 0.00 C ATOM 349 C CYS A 24 11.319 -5.045 -14.978 1.00 0.00 C ATOM 350 O CYS A 24 10.996 -5.267 -13.810 1.00 0.00 O ATOM 351 CB CYS A 24 9.155 -4.607 -16.245 1.00 0.00 C ATOM 352 SG CYS A 24 7.923 -4.646 -14.903 1.00 0.00 S ATOM 0 H CYS A 24 10.921 -4.186 -17.885 1.00 0.00 H new ATOM 0 HA CYS A 24 10.374 -3.140 -15.263 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.757 -4.010 -17.065 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.289 -5.620 -16.624 1.00 0.00 H new ATOM 357 N GLY A 25 12.347 -5.655 -15.569 1.00 0.00 N ATOM 358 CA GLY A 25 13.193 -6.577 -14.835 1.00 0.00 C ATOM 359 C GLY A 25 12.711 -8.008 -14.896 1.00 0.00 C ATOM 360 O GLY A 25 13.089 -8.837 -14.069 1.00 0.00 O ATOM 0 H GLY A 25 12.607 -5.524 -16.547 1.00 0.00 H new ATOM 0 HA2 GLY A 25 14.206 -6.525 -15.233 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.243 -6.262 -13.793 1.00 0.00 H new ATOM 364 N HIS A 26 11.878 -8.309 -15.861 1.00 0.00 N ATOM 365 CA HIS A 26 11.377 -9.665 -16.029 1.00 0.00 C ATOM 366 C HIS A 26 12.056 -10.290 -17.231 1.00 0.00 C ATOM 367 O HIS A 26 12.293 -9.608 -18.234 1.00 0.00 O ATOM 368 CB HIS A 26 9.861 -9.674 -16.253 1.00 0.00 C ATOM 369 CG HIS A 26 9.055 -9.093 -15.141 1.00 0.00 C ATOM 370 ND1 HIS A 26 8.868 -9.714 -13.925 1.00 0.00 N ATOM 371 CD2 HIS A 26 8.386 -7.927 -15.070 1.00 0.00 C ATOM 372 CE1 HIS A 26 8.118 -8.943 -13.153 1.00 0.00 C ATOM 373 NE2 HIS A 26 7.812 -7.849 -13.833 1.00 0.00 N ATOM 0 H HIS A 26 11.528 -7.639 -16.546 1.00 0.00 H new ATOM 0 HA HIS A 26 11.594 -10.230 -15.122 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.641 -9.123 -17.167 1.00 0.00 H new ATOM 0 HB3 HIS A 26 9.539 -10.703 -16.416 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.316 -7.185 -15.852 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.809 -9.168 -12.143 1.00 0.00 H new ATOM 0 HE2 HIS A 26 7.242 -7.076 -13.490 1.00 0.00 H new ATOM 380 N ARG A 27 12.383 -11.557 -17.136 1.00 0.00 N ATOM 381 CA ARG A 27 13.045 -12.246 -18.228 1.00 0.00 C ATOM 382 C ARG A 27 12.043 -13.146 -18.941 1.00 0.00 C ATOM 383 O ARG A 27 11.276 -13.862 -18.291 1.00 0.00 O ATOM 384 CB ARG A 27 14.214 -13.079 -17.695 1.00 0.00 C ATOM 385 CG ARG A 27 15.306 -12.260 -17.013 1.00 0.00 C ATOM 386 CD ARG A 27 16.433 -13.150 -16.504 1.00 0.00 C ATOM 387 NE ARG A 27 17.445 -12.392 -15.755 1.00 0.00 N ATOM 388 CZ ARG A 27 18.683 -12.117 -16.184 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.103 -12.573 -17.362 1.00 0.00 N ATOM 390 NH2 ARG A 27 19.504 -11.404 -15.419 1.00 0.00 N ATOM 0 H ARG A 27 12.203 -12.135 -16.315 1.00 0.00 H new ATOM 0 HA ARG A 27 13.435 -11.511 -18.933 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.829 -13.812 -16.986 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.656 -13.636 -18.522 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.707 -11.529 -17.715 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.878 -11.701 -16.181 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.018 -13.929 -15.864 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.908 -13.650 -17.348 1.00 0.00 H new ATOM 0 HE ARG A 27 17.182 -12.047 -14.832 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.481 -13.135 -17.943 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.047 -12.360 -17.684 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.190 -11.068 -14.508 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.448 -11.193 -15.743 1.00 0.00 H new ATOM 404 N PHE A 28 12.040 -13.097 -20.264 1.00 0.00 N ATOM 405 CA PHE A 28 11.121 -13.894 -21.071 1.00 0.00 C ATOM 406 C PHE A 28 11.834 -14.453 -22.295 1.00 0.00 C ATOM 407 O PHE A 28 12.997 -14.125 -22.552 1.00 0.00 O ATOM 408 CB PHE A 28 9.924 -13.061 -21.545 1.00 0.00 C ATOM 409 CG PHE A 28 9.037 -12.522 -20.458 1.00 0.00 C ATOM 410 CD1 PHE A 28 8.057 -13.315 -19.891 1.00 0.00 C ATOM 411 CD2 PHE A 28 9.171 -11.215 -20.023 1.00 0.00 C ATOM 412 CE1 PHE A 28 7.226 -12.817 -18.909 1.00 0.00 C ATOM 413 CE2 PHE A 28 8.343 -10.712 -19.040 1.00 0.00 C ATOM 414 CZ PHE A 28 7.371 -11.516 -18.481 1.00 0.00 C ATOM 0 H PHE A 28 12.670 -12.508 -20.809 1.00 0.00 H new ATOM 0 HA PHE A 28 10.764 -14.708 -20.440 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.298 -12.223 -22.133 1.00 0.00 H new ATOM 0 HB3 PHE A 28 9.319 -13.674 -22.212 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.941 -14.337 -20.221 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.931 -10.582 -20.457 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.463 -13.447 -18.476 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.456 -9.690 -18.709 1.00 0.00 H new ATOM 0 HZ PHE A 28 6.725 -11.126 -17.709 1.00 0.00 H new ATOM 424 N CYS A 29 11.158 -15.320 -23.024 1.00 0.00 N ATOM 425 CA CYS A 29 11.649 -15.780 -24.310 1.00 0.00 C ATOM 426 C CYS A 29 11.144 -14.842 -25.405 1.00 0.00 C ATOM 427 O CYS A 29 10.084 -14.230 -25.262 1.00 0.00 O ATOM 428 CB CYS A 29 11.154 -17.188 -24.597 1.00 0.00 C ATOM 429 SG CYS A 29 11.466 -18.381 -23.264 1.00 0.00 S ATOM 0 H CYS A 29 10.263 -15.722 -22.746 1.00 0.00 H new ATOM 0 HA CYS A 29 12.739 -15.785 -24.289 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.082 -17.150 -24.790 1.00 0.00 H new ATOM 0 HB3 CYS A 29 11.630 -17.548 -25.509 1.00 0.00 H new ATOM 434 N LYS A 30 11.875 -14.774 -26.503 1.00 0.00 N ATOM 435 CA LYS A 30 11.576 -13.852 -27.604 1.00 0.00 C ATOM 436 C LYS A 30 10.273 -14.228 -28.332 1.00 0.00 C ATOM 437 O LYS A 30 9.731 -13.435 -29.093 1.00 0.00 O ATOM 438 CB LYS A 30 12.756 -13.830 -28.587 1.00 0.00 C ATOM 439 CG LYS A 30 12.629 -12.857 -29.756 1.00 0.00 C ATOM 440 CD LYS A 30 13.850 -12.937 -30.656 1.00 0.00 C ATOM 441 CE LYS A 30 13.746 -12.013 -31.863 1.00 0.00 C ATOM 442 NZ LYS A 30 13.678 -10.578 -31.493 1.00 0.00 N ATOM 0 H LYS A 30 12.697 -15.355 -26.665 1.00 0.00 H new ATOM 0 HA LYS A 30 11.430 -12.857 -27.184 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.662 -13.586 -28.032 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.889 -14.835 -28.988 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.732 -13.086 -30.331 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.515 -11.841 -29.379 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.739 -12.679 -30.081 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.978 -13.964 -30.998 1.00 0.00 H new ATOM 0 HE2 LYS A 30 14.607 -12.174 -32.512 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.859 -12.276 -32.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.694 -9.996 -32.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.799 -10.396 -30.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.494 -10.334 -30.896 1.00 0.00 H new ATOM 456 N ALA A 31 9.762 -15.418 -28.071 1.00 0.00 N ATOM 457 CA ALA A 31 8.573 -15.881 -28.769 1.00 0.00 C ATOM 458 C ALA A 31 7.400 -16.039 -27.820 1.00 0.00 C ATOM 459 O ALA A 31 6.253 -16.167 -28.254 1.00 0.00 O ATOM 460 CB ALA A 31 8.855 -17.198 -29.468 1.00 0.00 C ATOM 0 H ALA A 31 10.144 -16.075 -27.391 1.00 0.00 H new ATOM 0 HA ALA A 31 8.308 -15.128 -29.511 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.957 -17.534 -29.987 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.661 -17.062 -30.189 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.149 -17.945 -28.731 1.00 0.00 H new ATOM 466 N CYS A 32 7.680 -16.024 -26.528 1.00 0.00 N ATOM 467 CA CYS A 32 6.628 -16.113 -25.542 1.00 0.00 C ATOM 468 C CYS A 32 6.033 -14.738 -25.264 1.00 0.00 C ATOM 469 O CYS A 32 4.831 -14.531 -25.398 1.00 0.00 O ATOM 470 CB CYS A 32 7.162 -16.716 -24.236 1.00 0.00 C ATOM 471 SG CYS A 32 8.035 -18.304 -24.421 1.00 0.00 S ATOM 0 H CYS A 32 8.622 -15.951 -26.144 1.00 0.00 H new ATOM 0 HA CYS A 32 5.848 -16.762 -25.941 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.839 -15.998 -23.772 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.327 -16.856 -23.550 1.00 0.00 H new ATOM 476 N ILE A 33 6.892 -13.793 -24.903 1.00 0.00 N ATOM 477 CA ILE A 33 6.436 -12.488 -24.449 1.00 0.00 C ATOM 478 C ILE A 33 5.783 -11.655 -25.554 1.00 0.00 C ATOM 479 O ILE A 33 4.745 -11.041 -25.339 1.00 0.00 O ATOM 480 CB ILE A 33 7.561 -11.685 -23.742 1.00 0.00 C ATOM 481 CG1 ILE A 33 7.009 -10.414 -23.088 1.00 0.00 C ATOM 482 CG2 ILE A 33 8.702 -11.354 -24.695 1.00 0.00 C ATOM 483 CD1 ILE A 33 5.997 -10.676 -21.988 1.00 0.00 C ATOM 0 H ILE A 33 7.906 -13.907 -24.916 1.00 0.00 H new ATOM 0 HA ILE A 33 5.659 -12.697 -23.714 1.00 0.00 H new ATOM 0 HB ILE A 33 7.965 -12.322 -22.955 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.839 -9.840 -22.675 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.544 -9.795 -23.855 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.469 -10.792 -24.163 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.132 -12.278 -25.082 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.322 -10.755 -25.523 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.654 -9.727 -21.576 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.147 -11.222 -22.398 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.462 -11.268 -21.199 1.00 0.00 H new ATOM 495 N ILE A 34 6.363 -11.670 -26.742 1.00 0.00 N ATOM 496 CA ILE A 34 5.871 -10.834 -27.827 1.00 0.00 C ATOM 497 C ILE A 34 4.451 -11.227 -28.225 1.00 0.00 C ATOM 498 O ILE A 34 3.577 -10.372 -28.367 1.00 0.00 O ATOM 499 CB ILE A 34 6.828 -10.839 -29.047 1.00 0.00 C ATOM 500 CG1 ILE A 34 8.145 -10.143 -28.670 1.00 0.00 C ATOM 501 CG2 ILE A 34 6.187 -10.151 -30.255 1.00 0.00 C ATOM 502 CD1 ILE A 34 9.227 -10.247 -29.722 1.00 0.00 C ATOM 0 H ILE A 34 7.170 -12.247 -26.980 1.00 0.00 H new ATOM 0 HA ILE A 34 5.841 -9.809 -27.456 1.00 0.00 H new ATOM 0 HB ILE A 34 7.032 -11.873 -29.325 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.943 -9.090 -28.476 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.516 -10.573 -27.740 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.881 -10.170 -31.095 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.272 -10.675 -30.529 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.951 -9.117 -30.002 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.122 -9.730 -29.376 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.461 -11.296 -29.901 1.00 0.00 H new ATOM 0 HD13 ILE A 34 8.879 -9.790 -30.648 1.00 0.00 H new ATOM 514 N LYS A 35 4.205 -12.523 -28.325 1.00 0.00 N ATOM 515 CA LYS A 35 2.891 -13.026 -28.720 1.00 0.00 C ATOM 516 C LYS A 35 1.933 -13.052 -27.532 1.00 0.00 C ATOM 517 O LYS A 35 0.782 -13.472 -27.650 1.00 0.00 O ATOM 518 CB LYS A 35 2.998 -14.411 -29.366 1.00 0.00 C ATOM 519 CG LYS A 35 3.836 -14.435 -30.636 1.00 0.00 C ATOM 520 CD LYS A 35 3.213 -13.582 -31.738 1.00 0.00 C ATOM 521 CE LYS A 35 4.067 -13.577 -33.001 1.00 0.00 C ATOM 522 NZ LYS A 35 4.168 -14.921 -33.617 1.00 0.00 N ATOM 0 H LYS A 35 4.896 -13.250 -28.139 1.00 0.00 H new ATOM 0 HA LYS A 35 2.486 -12.341 -29.465 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.429 -15.105 -28.645 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.996 -14.772 -29.597 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.840 -14.071 -30.417 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.939 -15.462 -30.985 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.219 -13.961 -31.973 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.088 -12.560 -31.380 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.640 -12.880 -33.723 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.066 -13.214 -32.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.641 -14.845 -34.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.719 -15.547 -32.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.215 -15.315 -33.748 1.00 0.00 H new ATOM 536 N SER A 36 2.407 -12.597 -26.395 1.00 0.00 N ATOM 537 CA SER A 36 1.576 -12.516 -25.225 1.00 0.00 C ATOM 538 C SER A 36 1.189 -11.056 -24.972 1.00 0.00 C ATOM 539 O SER A 36 0.157 -10.773 -24.356 1.00 0.00 O ATOM 540 CB SER A 36 2.310 -13.103 -24.009 1.00 0.00 C ATOM 541 OG SER A 36 1.435 -13.281 -22.909 1.00 0.00 O ATOM 0 H SER A 36 3.366 -12.278 -26.259 1.00 0.00 H new ATOM 0 HA SER A 36 0.669 -13.098 -25.386 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.755 -14.060 -24.279 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.127 -12.441 -23.722 1.00 0.00 H new ATOM 0 HG SER A 36 1.932 -13.657 -22.153 1.00 0.00 H new ATOM 547 N ILE A 37 1.981 -10.124 -25.504 1.00 0.00 N ATOM 548 CA ILE A 37 1.711 -8.715 -25.269 1.00 0.00 C ATOM 549 C ILE A 37 1.069 -8.032 -26.466 1.00 0.00 C ATOM 550 O ILE A 37 0.354 -7.057 -26.311 1.00 0.00 O ATOM 551 CB ILE A 37 2.964 -7.919 -24.814 1.00 0.00 C ATOM 552 CG1 ILE A 37 4.086 -7.997 -25.861 1.00 0.00 C ATOM 553 CG2 ILE A 37 3.443 -8.404 -23.452 1.00 0.00 C ATOM 554 CD1 ILE A 37 5.282 -7.119 -25.551 1.00 0.00 C ATOM 0 H ILE A 37 2.795 -10.317 -26.087 1.00 0.00 H new ATOM 0 HA ILE A 37 0.996 -8.706 -24.447 1.00 0.00 H new ATOM 0 HB ILE A 37 2.681 -6.871 -24.719 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.420 -9.031 -25.944 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.682 -7.713 -26.833 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.322 -7.834 -23.151 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.651 -8.264 -22.717 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.700 -9.462 -23.512 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.029 -7.231 -26.337 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.965 -6.078 -25.498 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.714 -7.416 -24.595 1.00 0.00 H new ATOM 566 N ARG A 38 1.292 -8.543 -27.657 1.00 0.00 N ATOM 567 CA ARG A 38 0.630 -7.952 -28.810 1.00 0.00 C ATOM 568 C ARG A 38 -0.608 -8.743 -29.202 1.00 0.00 C ATOM 569 O ARG A 38 -1.270 -8.440 -30.199 1.00 0.00 O ATOM 570 CB ARG A 38 1.581 -7.732 -29.990 1.00 0.00 C ATOM 571 CG ARG A 38 2.167 -8.981 -30.612 1.00 0.00 C ATOM 572 CD ARG A 38 3.072 -8.609 -31.772 1.00 0.00 C ATOM 573 NE ARG A 38 2.324 -8.010 -32.881 1.00 0.00 N ATOM 574 CZ ARG A 38 2.616 -6.845 -33.476 1.00 0.00 C ATOM 575 NH1 ARG A 38 3.586 -6.065 -33.005 1.00 0.00 N ATOM 576 NH2 ARG A 38 1.913 -6.449 -34.522 1.00 0.00 N ATOM 0 H ARG A 38 1.902 -9.336 -27.855 1.00 0.00 H new ATOM 0 HA ARG A 38 0.298 -6.958 -28.510 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.046 -7.181 -30.764 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.402 -7.097 -29.656 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.731 -9.539 -29.865 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.366 -9.634 -30.960 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.833 -7.909 -31.428 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.593 -9.499 -32.125 1.00 0.00 H new ATOM 0 HE ARG A 38 1.514 -8.522 -33.229 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.117 -6.352 -32.182 1.00 0.00 H new ATOM 0 HH12 ARG A 38 3.799 -5.181 -33.467 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.151 -7.029 -34.874 1.00 0.00 H new ATOM 0 HH22 ARG A 38 2.132 -5.563 -34.978 1.00 0.00 H new ATOM 590 N ASP A 39 -0.921 -9.760 -28.410 1.00 0.00 N ATOM 591 CA ASP A 39 -2.115 -10.559 -28.646 1.00 0.00 C ATOM 592 C ASP A 39 -3.044 -10.553 -27.442 1.00 0.00 C ATOM 593 O ASP A 39 -4.206 -10.165 -27.554 1.00 0.00 O ATOM 594 CB ASP A 39 -1.761 -11.993 -29.034 1.00 0.00 C ATOM 595 CG ASP A 39 -2.991 -12.855 -29.236 1.00 0.00 C ATOM 596 OD1 ASP A 39 -3.755 -12.609 -30.192 1.00 0.00 O ATOM 597 OD2 ASP A 39 -3.203 -13.788 -28.437 1.00 0.00 O ATOM 0 H ASP A 39 -0.368 -10.050 -27.603 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.642 -10.098 -29.482 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.172 -11.984 -29.951 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.135 -12.433 -28.258 1.00 0.00 H new ATOM 602 N ALA A 40 -2.533 -10.959 -26.287 1.00 0.00 N ATOM 603 CA ALA A 40 -3.362 -11.054 -25.094 1.00 0.00 C ATOM 604 C ALA A 40 -3.444 -9.721 -24.362 1.00 0.00 C ATOM 605 O ALA A 40 -4.487 -9.063 -24.375 1.00 0.00 O ATOM 606 CB ALA A 40 -2.865 -12.155 -24.171 1.00 0.00 C ATOM 0 H ALA A 40 -1.558 -11.225 -26.152 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.371 -11.313 -25.415 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.502 -12.204 -23.288 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.896 -13.110 -24.695 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.840 -11.941 -23.868 1.00 0.00 H new ATOM 612 N GLY A 41 -2.352 -9.322 -23.741 1.00 0.00 N ATOM 613 CA GLY A 41 -2.323 -8.075 -23.017 1.00 0.00 C ATOM 614 C GLY A 41 -0.998 -7.391 -23.183 1.00 0.00 C ATOM 615 O GLY A 41 0.038 -8.014 -22.990 1.00 0.00 O ATOM 0 H GLY A 41 -1.476 -9.845 -23.725 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.120 -7.424 -23.374 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.512 -8.259 -21.959 1.00 0.00 H new ATOM 619 N HIS A 42 -1.021 -6.106 -23.499 1.00 0.00 N ATOM 620 CA HIS A 42 0.195 -5.370 -23.879 1.00 0.00 C ATOM 621 C HIS A 42 0.970 -4.889 -22.640 1.00 0.00 C ATOM 622 O HIS A 42 1.673 -3.875 -22.662 1.00 0.00 O ATOM 623 CB HIS A 42 -0.174 -4.202 -24.808 1.00 0.00 C ATOM 624 CG HIS A 42 0.971 -3.669 -25.617 1.00 0.00 C ATOM 625 ND1 HIS A 42 1.179 -2.329 -25.841 1.00 0.00 N ATOM 626 CD2 HIS A 42 1.950 -4.315 -26.294 1.00 0.00 C ATOM 627 CE1 HIS A 42 2.227 -2.174 -26.617 1.00 0.00 C ATOM 628 NE2 HIS A 42 2.713 -3.361 -26.905 1.00 0.00 N ATOM 0 H HIS A 42 -1.869 -5.540 -23.502 1.00 0.00 H new ATOM 0 HA HIS A 42 0.858 -6.044 -24.420 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.962 -4.528 -25.487 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.587 -3.392 -24.207 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.099 -5.384 -26.342 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.623 -1.230 -26.961 1.00 0.00 H new ATOM 0 HE2 HIS A 42 3.529 -3.541 -27.491 1.00 0.00 H new ATOM 637 N LYS A 43 0.851 -5.648 -21.582 1.00 0.00 N ATOM 638 CA LYS A 43 1.498 -5.367 -20.328 1.00 0.00 C ATOM 639 C LYS A 43 1.953 -6.678 -19.702 1.00 0.00 C ATOM 640 O LYS A 43 1.373 -7.731 -19.999 1.00 0.00 O ATOM 641 CB LYS A 43 0.533 -4.610 -19.400 1.00 0.00 C ATOM 642 CG LYS A 43 -0.732 -5.379 -19.032 1.00 0.00 C ATOM 643 CD LYS A 43 -1.606 -4.592 -18.062 1.00 0.00 C ATOM 644 CE LYS A 43 -2.183 -3.326 -18.689 1.00 0.00 C ATOM 645 NZ LYS A 43 -3.163 -3.622 -19.759 1.00 0.00 N ATOM 0 H LYS A 43 0.288 -6.499 -21.569 1.00 0.00 H new ATOM 0 HA LYS A 43 2.371 -4.734 -20.488 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.062 -4.348 -18.484 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.246 -3.675 -19.881 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.299 -5.601 -19.936 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.460 -6.335 -18.584 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.422 -5.227 -17.717 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.018 -4.323 -17.184 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.664 -2.727 -17.915 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.372 -2.725 -19.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.625 -2.740 -20.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.673 -4.050 -20.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -3.880 -4.284 -19.400 1.00 0.00 H new ATOM 659 N CYS A 44 2.989 -6.632 -18.867 1.00 0.00 N ATOM 660 CA CYS A 44 3.481 -7.837 -18.224 1.00 0.00 C ATOM 661 C CYS A 44 2.403 -8.424 -17.317 1.00 0.00 C ATOM 662 O CYS A 44 1.891 -7.747 -16.424 1.00 0.00 O ATOM 663 CB CYS A 44 4.809 -7.584 -17.467 1.00 0.00 C ATOM 664 SG CYS A 44 4.784 -6.221 -16.256 1.00 0.00 S ATOM 0 H CYS A 44 3.496 -5.781 -18.625 1.00 0.00 H new ATOM 0 HA CYS A 44 3.708 -8.572 -18.996 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.090 -8.501 -16.948 1.00 0.00 H new ATOM 0 HB3 CYS A 44 5.590 -7.380 -18.200 1.00 0.00 H new ATOM 669 N PRO A 45 2.051 -9.699 -17.531 1.00 0.00 N ATOM 670 CA PRO A 45 0.888 -10.325 -16.887 1.00 0.00 C ATOM 671 C PRO A 45 0.977 -10.391 -15.362 1.00 0.00 C ATOM 672 O PRO A 45 -0.038 -10.507 -14.681 1.00 0.00 O ATOM 673 CB PRO A 45 0.847 -11.733 -17.501 1.00 0.00 C ATOM 674 CG PRO A 45 2.237 -11.975 -17.990 1.00 0.00 C ATOM 675 CD PRO A 45 2.748 -10.637 -18.435 1.00 0.00 C ATOM 0 HA PRO A 45 -0.015 -9.740 -17.062 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.552 -12.478 -16.763 1.00 0.00 H new ATOM 0 HB3 PRO A 45 0.125 -11.789 -18.316 1.00 0.00 H new ATOM 0 HG2 PRO A 45 2.863 -12.391 -17.201 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.244 -12.690 -18.812 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.831 -10.565 -18.335 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.511 -10.442 -19.481 1.00 0.00 H new ATOM 683 N VAL A 46 2.179 -10.325 -14.826 1.00 0.00 N ATOM 684 CA VAL A 46 2.354 -10.450 -13.391 1.00 0.00 C ATOM 685 C VAL A 46 2.030 -9.152 -12.607 1.00 0.00 C ATOM 686 O VAL A 46 1.239 -9.183 -11.660 1.00 0.00 O ATOM 687 CB VAL A 46 3.746 -11.024 -13.004 1.00 0.00 C ATOM 688 CG1 VAL A 46 3.882 -12.451 -13.510 1.00 0.00 C ATOM 689 CG2 VAL A 46 4.870 -10.176 -13.572 1.00 0.00 C ATOM 0 H VAL A 46 3.041 -10.187 -15.354 1.00 0.00 H new ATOM 0 HA VAL A 46 1.607 -11.181 -13.082 1.00 0.00 H new ATOM 0 HB VAL A 46 3.821 -11.012 -11.917 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.861 -12.843 -13.234 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.104 -13.071 -13.065 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.779 -12.464 -14.595 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.830 -10.604 -13.284 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.795 -10.153 -14.659 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.793 -9.161 -13.182 1.00 0.00 H new ATOM 699 N ASP A 47 2.619 -8.027 -13.000 1.00 0.00 N ATOM 700 CA ASP A 47 2.431 -6.762 -12.262 1.00 0.00 C ATOM 701 C ASP A 47 1.753 -5.679 -13.101 1.00 0.00 C ATOM 702 O ASP A 47 1.640 -4.521 -12.665 1.00 0.00 O ATOM 703 CB ASP A 47 3.755 -6.243 -11.685 1.00 0.00 C ATOM 704 CG ASP A 47 4.830 -6.100 -12.728 1.00 0.00 C ATOM 705 OD1 ASP A 47 5.132 -7.069 -13.421 1.00 0.00 O ATOM 706 OD2 ASP A 47 5.397 -5.018 -12.884 1.00 0.00 O ATOM 0 H ASP A 47 3.227 -7.955 -13.816 1.00 0.00 H new ATOM 0 HA ASP A 47 1.760 -6.995 -11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.585 -5.277 -11.210 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.099 -6.924 -10.907 1.00 0.00 H new ATOM 711 N ASN A 48 1.302 -6.056 -14.292 1.00 0.00 N ATOM 712 CA ASN A 48 0.494 -5.185 -15.163 1.00 0.00 C ATOM 713 C ASN A 48 1.212 -3.905 -15.612 1.00 0.00 C ATOM 714 O ASN A 48 0.586 -2.846 -15.744 1.00 0.00 O ATOM 715 CB ASN A 48 -0.854 -4.847 -14.501 1.00 0.00 C ATOM 716 CG ASN A 48 -1.760 -6.056 -14.377 1.00 0.00 C ATOM 717 OD1 ASN A 48 -1.701 -6.970 -15.191 1.00 0.00 O ATOM 718 ND2 ASN A 48 -2.609 -6.064 -13.369 1.00 0.00 N ATOM 0 H ASN A 48 1.483 -6.978 -14.690 1.00 0.00 H new ATOM 0 HA ASN A 48 0.319 -5.761 -16.071 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.674 -4.429 -13.511 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.359 -4.077 -15.085 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.247 -6.850 -13.246 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.628 -5.284 -12.712 1.00 0.00 H new ATOM 725 N GLU A 49 2.506 -4.000 -15.873 1.00 0.00 N ATOM 726 CA GLU A 49 3.257 -2.866 -16.406 1.00 0.00 C ATOM 727 C GLU A 49 3.325 -2.913 -17.913 1.00 0.00 C ATOM 728 O GLU A 49 3.507 -3.973 -18.497 1.00 0.00 O ATOM 729 CB GLU A 49 4.650 -2.770 -15.801 1.00 0.00 C ATOM 730 CG GLU A 49 4.642 -2.312 -14.366 1.00 0.00 C ATOM 731 CD GLU A 49 4.106 -0.908 -14.249 1.00 0.00 C ATOM 732 OE1 GLU A 49 4.670 0.003 -14.879 1.00 0.00 O ATOM 733 OE2 GLU A 49 3.119 -0.698 -13.528 1.00 0.00 O ATOM 0 H GLU A 49 3.059 -4.844 -15.727 1.00 0.00 H new ATOM 0 HA GLU A 49 2.716 -1.964 -16.120 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.134 -3.745 -15.862 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.250 -2.079 -16.393 1.00 0.00 H new ATOM 0 HG2 GLU A 49 4.032 -2.989 -13.768 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.653 -2.354 -13.962 1.00 0.00 H new ATOM 740 N ILE A 50 3.182 -1.754 -18.531 1.00 0.00 N ATOM 741 CA ILE A 50 3.087 -1.649 -19.975 1.00 0.00 C ATOM 742 C ILE A 50 4.397 -2.047 -20.627 1.00 0.00 C ATOM 743 O ILE A 50 5.450 -1.466 -20.348 1.00 0.00 O ATOM 744 CB ILE A 50 2.718 -0.210 -20.405 1.00 0.00 C ATOM 745 CG1 ILE A 50 1.398 0.220 -19.748 1.00 0.00 C ATOM 746 CG2 ILE A 50 2.631 -0.093 -21.925 1.00 0.00 C ATOM 747 CD1 ILE A 50 0.222 -0.683 -20.059 1.00 0.00 C ATOM 0 H ILE A 50 3.129 -0.859 -18.045 1.00 0.00 H new ATOM 0 HA ILE A 50 2.300 -2.328 -20.302 1.00 0.00 H new ATOM 0 HB ILE A 50 3.509 0.460 -20.067 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.538 0.255 -18.668 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.158 1.233 -20.071 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.370 0.930 -22.197 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.594 -0.351 -22.365 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.867 -0.774 -22.299 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.669 -0.307 -19.556 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.051 -0.700 -21.135 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.437 -1.693 -19.710 1.00 0.00 H new ATOM 759 N LEU A 51 4.335 -3.038 -21.485 1.00 0.00 N ATOM 760 CA LEU A 51 5.517 -3.529 -22.131 1.00 0.00 C ATOM 761 C LEU A 51 5.426 -3.336 -23.632 1.00 0.00 C ATOM 762 O LEU A 51 4.418 -3.659 -24.254 1.00 0.00 O ATOM 763 CB LEU A 51 5.766 -4.993 -21.776 1.00 0.00 C ATOM 764 CG LEU A 51 7.057 -5.603 -22.318 1.00 0.00 C ATOM 765 CD1 LEU A 51 8.271 -4.863 -21.770 1.00 0.00 C ATOM 766 CD2 LEU A 51 7.129 -7.073 -21.963 1.00 0.00 C ATOM 0 H LEU A 51 3.474 -3.517 -21.749 1.00 0.00 H new ATOM 0 HA LEU A 51 6.368 -2.952 -21.769 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.771 -5.087 -20.690 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.926 -5.583 -22.143 1.00 0.00 H new ATOM 0 HG LEU A 51 7.058 -5.505 -23.404 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.181 -5.312 -22.168 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.224 -3.815 -22.068 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.278 -4.931 -20.682 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.054 -7.497 -22.355 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.108 -7.187 -20.879 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.277 -7.595 -22.399 1.00 0.00 H new ATOM 778 N LEU A 52 6.480 -2.792 -24.195 1.00 0.00 N ATOM 779 CA LEU A 52 6.566 -2.537 -25.619 1.00 0.00 C ATOM 780 C LEU A 52 7.531 -3.535 -26.233 1.00 0.00 C ATOM 781 O LEU A 52 8.571 -3.821 -25.640 1.00 0.00 O ATOM 782 CB LEU A 52 7.063 -1.098 -25.895 1.00 0.00 C ATOM 783 CG LEU A 52 6.176 0.088 -25.431 1.00 0.00 C ATOM 784 CD1 LEU A 52 4.797 0.022 -26.051 1.00 0.00 C ATOM 785 CD2 LEU A 52 6.089 0.197 -23.912 1.00 0.00 C ATOM 0 H LEU A 52 7.311 -2.510 -23.675 1.00 0.00 H new ATOM 0 HA LEU A 52 5.575 -2.644 -26.060 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.039 -0.987 -25.424 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.215 -0.999 -26.970 1.00 0.00 H new ATOM 0 HG LEU A 52 6.665 0.996 -25.785 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.202 0.867 -25.705 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.884 0.060 -27.137 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.311 -0.908 -25.758 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.456 1.043 -23.644 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.661 -0.719 -23.505 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.087 0.345 -23.500 1.00 0.00 H new ATOM 797 N GLU A 53 7.198 -4.045 -27.414 1.00 0.00 N ATOM 798 CA GLU A 53 7.974 -5.106 -28.063 1.00 0.00 C ATOM 799 C GLU A 53 9.415 -4.666 -28.319 1.00 0.00 C ATOM 800 O GLU A 53 10.354 -5.448 -28.154 1.00 0.00 O ATOM 801 CB GLU A 53 7.332 -5.547 -29.392 1.00 0.00 C ATOM 802 CG GLU A 53 5.881 -6.014 -29.290 1.00 0.00 C ATOM 803 CD GLU A 53 4.883 -4.872 -29.379 1.00 0.00 C ATOM 804 OE1 GLU A 53 4.729 -4.117 -28.403 1.00 0.00 O ATOM 805 OE2 GLU A 53 4.244 -4.725 -30.442 1.00 0.00 O ATOM 0 H GLU A 53 6.386 -3.739 -27.950 1.00 0.00 H new ATOM 0 HA GLU A 53 7.978 -5.953 -27.377 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.381 -4.715 -30.094 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.928 -6.356 -29.814 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.678 -6.729 -30.087 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.740 -6.540 -28.346 1.00 0.00 H new ATOM 812 N ASN A 54 9.585 -3.408 -28.702 1.00 0.00 N ATOM 813 CA ASN A 54 10.915 -2.842 -28.960 1.00 0.00 C ATOM 814 C ASN A 54 11.772 -2.830 -27.696 1.00 0.00 C ATOM 815 O ASN A 54 12.999 -2.959 -27.761 1.00 0.00 O ATOM 816 CB ASN A 54 10.808 -1.427 -29.553 1.00 0.00 C ATOM 817 CG ASN A 54 12.165 -0.777 -29.796 1.00 0.00 C ATOM 818 OD1 ASN A 54 12.820 -1.032 -30.807 1.00 0.00 O ATOM 819 ND2 ASN A 54 12.581 0.090 -28.891 1.00 0.00 N ATOM 0 H ASN A 54 8.817 -2.751 -28.843 1.00 0.00 H new ATOM 0 HA ASN A 54 11.405 -3.484 -29.691 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.261 -1.474 -30.494 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.227 -0.799 -28.878 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.471 0.572 -29.018 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.013 0.277 -28.065 1.00 0.00 H new ATOM 826 N GLN A 55 11.121 -2.704 -26.552 1.00 0.00 N ATOM 827 CA GLN A 55 11.805 -2.609 -25.269 1.00 0.00 C ATOM 828 C GLN A 55 12.386 -3.942 -24.805 1.00 0.00 C ATOM 829 O GLN A 55 13.115 -3.995 -23.813 1.00 0.00 O ATOM 830 CB GLN A 55 10.922 -1.960 -24.207 1.00 0.00 C ATOM 831 CG GLN A 55 10.689 -0.480 -24.462 1.00 0.00 C ATOM 832 CD GLN A 55 9.762 0.169 -23.461 1.00 0.00 C ATOM 833 OE1 GLN A 55 9.583 -0.313 -22.341 1.00 0.00 O ATOM 834 NE2 GLN A 55 9.179 1.282 -23.848 1.00 0.00 N ATOM 0 H GLN A 55 10.104 -2.664 -26.484 1.00 0.00 H new ATOM 0 HA GLN A 55 12.661 -1.951 -25.422 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.962 -2.475 -24.175 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.385 -2.087 -23.228 1.00 0.00 H new ATOM 0 HG2 GLN A 55 11.648 0.038 -24.445 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.276 -0.353 -25.463 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.352 1.650 -24.783 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.554 1.778 -23.213 1.00 0.00 H new ATOM 843 N LEU A 56 12.052 -5.014 -25.505 1.00 0.00 N ATOM 844 CA LEU A 56 12.655 -6.305 -25.229 1.00 0.00 C ATOM 845 C LEU A 56 14.097 -6.303 -25.711 1.00 0.00 C ATOM 846 O LEU A 56 14.374 -6.027 -26.884 1.00 0.00 O ATOM 847 CB LEU A 56 11.880 -7.447 -25.916 1.00 0.00 C ATOM 848 CG LEU A 56 10.599 -7.950 -25.232 1.00 0.00 C ATOM 849 CD1 LEU A 56 10.919 -8.564 -23.887 1.00 0.00 C ATOM 850 CD2 LEU A 56 9.564 -6.851 -25.085 1.00 0.00 C ATOM 0 H LEU A 56 11.371 -5.015 -26.264 1.00 0.00 H new ATOM 0 HA LEU A 56 12.621 -6.475 -24.153 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.617 -7.117 -26.921 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.557 -8.294 -26.026 1.00 0.00 H new ATOM 0 HG LEU A 56 10.168 -8.718 -25.875 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.999 -8.914 -23.419 1.00 0.00 H new ATOM 0 HD12 LEU A 56 11.599 -9.405 -24.023 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.389 -7.816 -23.248 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.675 -7.251 -24.597 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.976 -6.042 -24.482 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.296 -6.470 -26.070 1.00 0.00 H new ATOM 862 N PHE A 57 15.001 -6.611 -24.818 1.00 0.00 N ATOM 863 CA PHE A 57 16.410 -6.596 -25.120 1.00 0.00 C ATOM 864 C PHE A 57 17.035 -7.890 -24.637 1.00 0.00 C ATOM 865 O PHE A 57 16.917 -8.229 -23.458 1.00 0.00 O ATOM 866 CB PHE A 57 17.068 -5.395 -24.427 1.00 0.00 C ATOM 867 CG PHE A 57 18.533 -5.232 -24.717 1.00 0.00 C ATOM 868 CD1 PHE A 57 18.954 -4.608 -25.879 1.00 0.00 C ATOM 869 CD2 PHE A 57 19.487 -5.693 -23.825 1.00 0.00 C ATOM 870 CE1 PHE A 57 20.299 -4.448 -26.147 1.00 0.00 C ATOM 871 CE2 PHE A 57 20.832 -5.536 -24.087 1.00 0.00 C ATOM 872 CZ PHE A 57 21.239 -4.915 -25.251 1.00 0.00 C ATOM 0 H PHE A 57 14.781 -6.880 -23.859 1.00 0.00 H new ATOM 0 HA PHE A 57 16.560 -6.507 -26.196 1.00 0.00 H new ATOM 0 HB2 PHE A 57 16.548 -4.487 -24.731 1.00 0.00 H new ATOM 0 HB3 PHE A 57 16.933 -5.495 -23.350 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.222 -4.242 -26.584 1.00 0.00 H new ATOM 0 HD2 PHE A 57 19.174 -6.181 -22.914 1.00 0.00 H new ATOM 0 HE1 PHE A 57 20.615 -3.958 -27.056 1.00 0.00 H new ATOM 0 HE2 PHE A 57 21.566 -5.898 -23.382 1.00 0.00 H new ATOM 0 HZ PHE A 57 22.292 -4.795 -25.460 1.00 0.00 H new ATOM 882 N PRO A 58 17.676 -8.656 -25.531 1.00 0.00 N ATOM 883 CA PRO A 58 18.302 -9.918 -25.152 1.00 0.00 C ATOM 884 C PRO A 58 19.384 -9.720 -24.095 1.00 0.00 C ATOM 885 O PRO A 58 20.308 -8.911 -24.265 1.00 0.00 O ATOM 886 CB PRO A 58 18.933 -10.405 -26.462 1.00 0.00 C ATOM 887 CG PRO A 58 18.160 -9.712 -27.525 1.00 0.00 C ATOM 888 CD PRO A 58 17.843 -8.364 -26.967 1.00 0.00 C ATOM 0 HA PRO A 58 17.588 -10.617 -24.717 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.992 -10.151 -26.511 1.00 0.00 H new ATOM 0 HB3 PRO A 58 18.860 -11.488 -26.560 1.00 0.00 H new ATOM 0 HG2 PRO A 58 18.741 -9.631 -28.444 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.250 -10.260 -27.770 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.646 -7.649 -27.147 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.938 -7.944 -27.406 1.00 0.00 H new ATOM 896 N ASP A 59 19.259 -10.452 -23.012 1.00 0.00 N ATOM 897 CA ASP A 59 20.278 -10.497 -21.983 1.00 0.00 C ATOM 898 C ASP A 59 21.423 -11.338 -22.496 1.00 0.00 C ATOM 899 O ASP A 59 22.595 -11.088 -22.211 1.00 0.00 O ATOM 900 CB ASP A 59 19.719 -11.066 -20.684 1.00 0.00 C ATOM 901 CG ASP A 59 20.677 -10.907 -19.525 1.00 0.00 C ATOM 902 OD1 ASP A 59 20.928 -9.759 -19.106 1.00 0.00 O ATOM 903 OD2 ASP A 59 21.174 -11.934 -19.012 1.00 0.00 O ATOM 0 H ASP A 59 18.446 -11.036 -22.817 1.00 0.00 H new ATOM 0 HA ASP A 59 20.628 -9.489 -21.761 1.00 0.00 H new ATOM 0 HB2 ASP A 59 18.780 -10.567 -20.446 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.492 -12.123 -20.822 1.00 0.00 H new ATOM 908 N ASN A 60 21.049 -12.339 -23.268 1.00 0.00 N ATOM 909 CA ASN A 60 21.979 -13.205 -23.959 1.00 0.00 C ATOM 910 C ASN A 60 22.573 -12.429 -25.132 1.00 0.00 C ATOM 911 O ASN A 60 21.865 -12.093 -26.088 1.00 0.00 O ATOM 912 CB ASN A 60 21.216 -14.438 -24.473 1.00 0.00 C ATOM 913 CG ASN A 60 22.094 -15.458 -25.169 1.00 0.00 C ATOM 914 OD1 ASN A 60 23.272 -15.591 -24.870 1.00 0.00 O ATOM 915 ND2 ASN A 60 21.517 -16.196 -26.094 1.00 0.00 N ATOM 0 H ASN A 60 20.071 -12.576 -23.435 1.00 0.00 H new ATOM 0 HA ASN A 60 22.778 -13.531 -23.293 1.00 0.00 H new ATOM 0 HB2 ASN A 60 20.714 -14.918 -23.633 1.00 0.00 H new ATOM 0 HB3 ASN A 60 20.439 -14.110 -25.164 1.00 0.00 H new ATOM 0 HD21 ASN A 60 22.056 -16.908 -26.588 1.00 0.00 H new ATOM 0 HD22 ASN A 60 20.531 -16.056 -26.317 1.00 0.00 H new ATOM 922 N PHE A 61 23.858 -12.140 -25.060 1.00 0.00 N ATOM 923 CA PHE A 61 24.490 -11.278 -26.045 1.00 0.00 C ATOM 924 C PHE A 61 24.791 -12.031 -27.326 1.00 0.00 C ATOM 925 O PHE A 61 24.967 -13.250 -27.312 1.00 0.00 O ATOM 926 CB PHE A 61 25.754 -10.589 -25.482 1.00 0.00 C ATOM 927 CG PHE A 61 26.854 -11.519 -25.028 1.00 0.00 C ATOM 928 CD1 PHE A 61 27.819 -11.972 -25.920 1.00 0.00 C ATOM 929 CD2 PHE A 61 26.928 -11.933 -23.708 1.00 0.00 C ATOM 930 CE1 PHE A 61 28.828 -12.816 -25.501 1.00 0.00 C ATOM 931 CE2 PHE A 61 27.938 -12.777 -23.285 1.00 0.00 C ATOM 932 CZ PHE A 61 28.887 -13.220 -24.184 1.00 0.00 C ATOM 0 H PHE A 61 24.484 -12.487 -24.333 1.00 0.00 H new ATOM 0 HA PHE A 61 23.778 -10.489 -26.286 1.00 0.00 H new ATOM 0 HB2 PHE A 61 26.156 -9.925 -26.247 1.00 0.00 H new ATOM 0 HB3 PHE A 61 25.460 -9.963 -24.639 1.00 0.00 H new ATOM 0 HD1 PHE A 61 27.779 -11.660 -26.953 1.00 0.00 H new ATOM 0 HD2 PHE A 61 26.187 -11.592 -23.000 1.00 0.00 H new ATOM 0 HE1 PHE A 61 29.571 -13.160 -26.205 1.00 0.00 H new ATOM 0 HE2 PHE A 61 27.984 -13.089 -22.252 1.00 0.00 H new ATOM 0 HZ PHE A 61 29.675 -13.882 -23.856 1.00 0.00 H new ATOM 942 N ALA A 62 24.817 -11.306 -28.428 1.00 0.00 N ATOM 943 CA ALA A 62 25.065 -11.894 -29.722 1.00 0.00 C ATOM 944 C ALA A 62 26.533 -12.261 -29.876 1.00 0.00 C ATOM 945 O ALA A 62 27.382 -11.403 -30.142 1.00 0.00 O ATOM 946 CB ALA A 62 24.626 -10.952 -30.831 1.00 0.00 C ATOM 0 H ALA A 62 24.667 -10.297 -28.447 1.00 0.00 H new ATOM 0 HA ALA A 62 24.478 -12.809 -29.799 1.00 0.00 H new ATOM 0 HB1 ALA A 62 24.821 -11.414 -31.799 1.00 0.00 H new ATOM 0 HB2 ALA A 62 23.560 -10.748 -30.735 1.00 0.00 H new ATOM 0 HB3 ALA A 62 25.182 -10.017 -30.756 1.00 0.00 H new ATOM 952 N LYS A 63 26.830 -13.518 -29.667 1.00 0.00 N ATOM 953 CA LYS A 63 28.165 -14.027 -29.824 1.00 0.00 C ATOM 954 C LYS A 63 28.240 -14.829 -31.107 1.00 0.00 C ATOM 955 O LYS A 63 28.827 -14.334 -32.084 1.00 0.00 O ATOM 956 CB LYS A 63 28.556 -14.886 -28.614 1.00 0.00 C ATOM 957 CG LYS A 63 29.961 -15.468 -28.678 1.00 0.00 C ATOM 958 CD LYS A 63 31.024 -14.380 -28.711 1.00 0.00 C ATOM 959 CE LYS A 63 32.422 -14.967 -28.846 1.00 0.00 C ATOM 960 NZ LYS A 63 32.797 -15.781 -27.665 1.00 0.00 N ATOM 961 OXT LYS A 63 27.657 -15.928 -31.156 1.00 0.00 O ATOM 0 H LYS A 63 26.147 -14.220 -29.381 1.00 0.00 H new ATOM 0 HA LYS A 63 28.870 -13.197 -29.881 1.00 0.00 H new ATOM 0 HB2 LYS A 63 28.468 -14.281 -27.712 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.842 -15.704 -28.520 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.127 -16.112 -27.814 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.055 -16.094 -29.565 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.830 -13.706 -29.545 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.965 -13.785 -27.800 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.471 -15.585 -29.743 1.00 0.00 H new ATOM 0 HE3 LYS A 63 33.144 -14.160 -28.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 33.799 -16.050 -27.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 32.645 -15.226 -26.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.210 -16.639 -27.634 1.00 0.00 H new TER 975 LYS A 63 HETATM 976 ZN ZN A 65 9.307 -18.708 -22.590 1.00 0.00 ZN HETATM 977 ZN ZN A 66 6.200 -5.938 -14.511 1.00 0.00 ZN