USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 GLN : amide:sc= 1.09 K(o=2.3,f=-4.7) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 148:sc= 0.743 (180deg=0.339) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 41:sc= 0.455 USER MOD Single : A 13 CYS SG : rot 180:sc= 0.105 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -1.55 (180deg=-1.93!) USER MOD Single : A 18 LYS NZ :NH3+ -174:sc= 2.02 (180deg=1.97) USER MOD Single : A 19 TYR OH : rot -145:sc= 1.08 USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= 0.761 (180deg=-0.416) USER MOD Single : A 28 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.8!) USER MOD Single : A 33 CYS SG : rot 62:sc= 0.23 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -73:sc= 0.363 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0659 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 153:sc= 1.21 (180deg=0.425) USER MOD Single : A 58 HIS : no HE2:sc= 0.531 K(o=0.53,f=-7.4!) USER MOD Single : A 59 SER OG : rot 6:sc= 1.54 USER MOD Single : A 60 LYS NZ :NH3+ 167:sc= 0.301 (180deg=0.219) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0107 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -165:sc= 2.41 (180deg=1.88) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 87 CYS SG : rot -43:sc= -0.356 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.279 0.319 0.848 1.00 0.00 N ATOM 2 CA MET A 1 1.981 0.117 -0.437 1.00 0.00 C ATOM 3 C MET A 1 3.000 1.230 -0.646 1.00 0.00 C ATOM 4 O MET A 1 2.872 2.283 -0.025 1.00 0.00 O ATOM 5 CB MET A 1 0.975 0.071 -1.606 1.00 0.00 C ATOM 6 CG MET A 1 1.523 -0.518 -2.911 1.00 0.00 C ATOM 7 SD MET A 1 2.431 -2.068 -2.708 1.00 0.00 S ATOM 8 CE MET A 1 2.108 -2.831 -4.319 1.00 0.00 C ATOM 0 H1 MET A 1 0.304 -0.034 0.770 1.00 0.00 H new ATOM 0 H2 MET A 1 1.776 -0.199 1.600 1.00 0.00 H new ATOM 0 H3 MET A 1 1.262 1.333 1.079 1.00 0.00 H new ATOM 0 HA MET A 1 2.504 -0.839 -0.408 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.109 -0.514 -1.297 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.623 1.084 -1.802 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.692 -0.685 -3.597 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.180 0.215 -3.379 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.599 -3.803 -4.366 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.034 -2.960 -4.452 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.497 -2.190 -5.110 1.00 0.00 H new ATOM 20 N ALA A 2 3.966 1.035 -1.550 1.00 0.00 N ATOM 21 CA ALA A 2 4.651 2.154 -2.200 1.00 0.00 C ATOM 22 C ALA A 2 3.674 2.963 -3.089 1.00 0.00 C ATOM 23 O ALA A 2 2.506 2.597 -3.252 1.00 0.00 O ATOM 24 CB ALA A 2 5.839 1.601 -3.004 1.00 0.00 C ATOM 0 H ALA A 2 4.290 0.114 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 2 5.027 2.847 -1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.360 2.423 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.525 1.086 -2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.475 0.901 -3.756 1.00 0.00 H new ATOM 30 N LEU A 3 4.155 4.035 -3.723 1.00 0.00 N ATOM 31 CA LEU A 3 3.386 4.867 -4.649 1.00 0.00 C ATOM 32 C LEU A 3 4.166 5.132 -5.941 1.00 0.00 C ATOM 33 O LEU A 3 5.322 5.515 -5.896 1.00 0.00 O ATOM 34 CB LEU A 3 3.036 6.184 -3.938 1.00 0.00 C ATOM 35 CG LEU A 3 1.698 6.817 -4.360 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.489 5.933 -4.054 1.00 0.00 C ATOM 37 CD2 LEU A 3 1.477 8.115 -3.581 1.00 0.00 C ATOM 0 H LEU A 3 5.116 4.356 -3.603 1.00 0.00 H new ATOM 0 HA LEU A 3 2.473 4.345 -4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.012 6.004 -2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.835 6.902 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 3 1.770 6.971 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.422 6.438 -4.376 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.587 4.986 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.439 5.744 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.529 8.562 -3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.455 7.899 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.289 8.810 -3.794 1.00 0.00 H new ATOM 49 N ALA A 4 3.517 4.966 -7.085 1.00 0.00 N ATOM 50 CA ALA A 4 4.053 5.233 -8.418 1.00 0.00 C ATOM 51 C ALA A 4 3.741 6.666 -8.884 1.00 0.00 C ATOM 52 O ALA A 4 2.569 7.054 -8.955 1.00 0.00 O ATOM 53 CB ALA A 4 3.482 4.185 -9.381 1.00 0.00 C ATOM 0 H ALA A 4 2.556 4.625 -7.113 1.00 0.00 H new ATOM 0 HA ALA A 4 5.140 5.158 -8.397 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.868 4.364 -10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.777 3.189 -9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.394 4.256 -9.393 1.00 0.00 H new ATOM 59 N VAL A 5 4.776 7.432 -9.246 1.00 0.00 N ATOM 60 CA VAL A 5 4.682 8.760 -9.882 1.00 0.00 C ATOM 61 C VAL A 5 5.187 8.659 -11.317 1.00 0.00 C ATOM 62 O VAL A 5 6.061 7.858 -11.643 1.00 0.00 O ATOM 63 CB VAL A 5 5.470 9.847 -9.118 1.00 0.00 C ATOM 64 CG1 VAL A 5 5.305 11.279 -9.653 1.00 0.00 C ATOM 65 CG2 VAL A 5 5.131 9.926 -7.630 1.00 0.00 C ATOM 0 H VAL A 5 5.741 7.137 -9.100 1.00 0.00 H new ATOM 0 HA VAL A 5 3.635 9.064 -9.864 1.00 0.00 H new ATOM 0 HB VAL A 5 6.493 9.506 -9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.898 11.964 -9.048 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.644 11.322 -10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.255 11.567 -9.603 1.00 0.00 H new ATOM 0 HG21 VAL A 5 5.724 10.712 -7.163 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.071 10.151 -7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 5 5.355 8.971 -7.155 1.00 0.00 H new ATOM 75 N ARG A 6 4.649 9.485 -12.201 1.00 0.00 N ATOM 76 CA ARG A 6 4.984 9.555 -13.627 1.00 0.00 C ATOM 77 C ARG A 6 5.097 10.983 -14.126 1.00 0.00 C ATOM 78 O ARG A 6 4.445 11.876 -13.588 1.00 0.00 O ATOM 79 CB ARG A 6 3.950 8.780 -14.468 1.00 0.00 C ATOM 80 CG ARG A 6 3.953 7.271 -14.198 1.00 0.00 C ATOM 81 CD ARG A 6 5.314 6.650 -14.522 1.00 0.00 C ATOM 82 NE ARG A 6 5.304 5.202 -14.302 1.00 0.00 N ATOM 83 CZ ARG A 6 5.684 4.553 -13.223 1.00 0.00 C ATOM 84 NH1 ARG A 6 6.019 5.169 -12.135 1.00 0.00 N ATOM 85 NH2 ARG A 6 5.766 3.261 -13.215 1.00 0.00 N ATOM 0 H ARG A 6 3.931 10.160 -11.937 1.00 0.00 H new ATOM 0 HA ARG A 6 5.963 9.091 -13.743 1.00 0.00 H new ATOM 0 HB2 ARG A 6 2.956 9.176 -14.263 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.150 8.953 -15.525 1.00 0.00 H new ATOM 0 HG2 ARG A 6 3.706 7.086 -13.152 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.180 6.791 -14.798 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.575 6.861 -15.559 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.083 7.109 -13.901 1.00 0.00 H new ATOM 0 HE ARG A 6 4.963 4.631 -15.075 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.993 6.188 -12.097 1.00 0.00 H new ATOM 0 HH12 ARG A 6 6.309 4.635 -11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.534 2.730 -14.054 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.063 2.774 -12.369 1.00 0.00 H new ATOM 99 N VAL A 7 5.866 11.155 -15.201 1.00 0.00 N ATOM 100 CA VAL A 7 5.972 12.376 -16.000 1.00 0.00 C ATOM 101 C VAL A 7 5.939 11.963 -17.465 1.00 0.00 C ATOM 102 O VAL A 7 6.885 11.338 -17.957 1.00 0.00 O ATOM 103 CB VAL A 7 7.260 13.166 -15.703 1.00 0.00 C ATOM 104 CG1 VAL A 7 7.280 14.482 -16.490 1.00 0.00 C ATOM 105 CG2 VAL A 7 7.458 13.463 -14.212 1.00 0.00 C ATOM 0 H VAL A 7 6.463 10.408 -15.556 1.00 0.00 H new ATOM 0 HA VAL A 7 5.143 13.038 -15.751 1.00 0.00 H new ATOM 0 HB VAL A 7 8.084 12.526 -16.019 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.198 15.026 -16.267 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.236 14.268 -17.558 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.420 15.089 -16.206 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.383 14.022 -14.072 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.619 14.053 -13.844 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.513 12.526 -13.658 1.00 0.00 H new ATOM 115 N VAL A 8 4.847 12.267 -18.157 1.00 0.00 N ATOM 116 CA VAL A 8 4.785 12.143 -19.623 1.00 0.00 C ATOM 117 C VAL A 8 5.422 13.382 -20.262 1.00 0.00 C ATOM 118 O VAL A 8 5.092 14.502 -19.876 1.00 0.00 O ATOM 119 CB VAL A 8 3.350 11.933 -20.147 1.00 0.00 C ATOM 120 CG1 VAL A 8 3.408 11.207 -21.499 1.00 0.00 C ATOM 121 CG2 VAL A 8 2.463 11.081 -19.236 1.00 0.00 C ATOM 0 H VAL A 8 3.984 12.604 -17.731 1.00 0.00 H new ATOM 0 HA VAL A 8 5.343 11.250 -19.905 1.00 0.00 H new ATOM 0 HB VAL A 8 2.916 12.931 -20.208 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.396 11.056 -21.874 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.973 11.809 -22.211 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.896 10.241 -21.372 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.472 10.984 -19.680 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.906 10.092 -19.118 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.378 11.559 -18.260 1.00 0.00 H new ATOM 131 N TYR A 9 6.372 13.212 -21.190 1.00 0.00 N ATOM 132 CA TYR A 9 7.161 14.313 -21.761 1.00 0.00 C ATOM 133 C TYR A 9 7.525 14.111 -23.244 1.00 0.00 C ATOM 134 O TYR A 9 7.576 12.993 -23.744 1.00 0.00 O ATOM 135 CB TYR A 9 8.439 14.446 -20.915 1.00 0.00 C ATOM 136 CG TYR A 9 9.353 15.601 -21.277 1.00 0.00 C ATOM 137 CD1 TYR A 9 8.926 16.912 -21.018 1.00 0.00 C ATOM 138 CD2 TYR A 9 10.614 15.377 -21.866 1.00 0.00 C ATOM 139 CE1 TYR A 9 9.766 18.004 -21.304 1.00 0.00 C ATOM 140 CE2 TYR A 9 11.453 16.469 -22.166 1.00 0.00 C ATOM 141 CZ TYR A 9 11.036 17.785 -21.875 1.00 0.00 C ATOM 142 OH TYR A 9 11.857 18.841 -22.123 1.00 0.00 O ATOM 0 H TYR A 9 6.618 12.298 -21.570 1.00 0.00 H new ATOM 0 HA TYR A 9 6.556 15.219 -21.733 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.151 14.550 -19.869 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.006 13.519 -20.999 1.00 0.00 H new ATOM 0 HD1 TYR A 9 7.947 17.084 -20.597 1.00 0.00 H new ATOM 0 HD2 TYR A 9 10.937 14.370 -22.087 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.438 19.010 -21.086 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.418 16.298 -22.620 1.00 0.00 H new ATOM 0 HH TYR A 9 12.695 18.519 -22.516 1.00 0.00 H new ATOM 152 N SER A 10 7.856 15.204 -23.930 1.00 0.00 N ATOM 153 CA SER A 10 8.378 15.265 -25.298 1.00 0.00 C ATOM 154 C SER A 10 9.900 15.438 -25.289 1.00 0.00 C ATOM 155 O SER A 10 10.374 16.524 -24.949 1.00 0.00 O ATOM 156 CB SER A 10 7.740 16.446 -26.040 1.00 0.00 C ATOM 157 OG SER A 10 7.842 17.657 -25.302 1.00 0.00 O ATOM 0 H SER A 10 7.761 16.133 -23.519 1.00 0.00 H new ATOM 0 HA SER A 10 8.132 14.331 -25.804 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.224 16.570 -27.009 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.690 16.227 -26.234 1.00 0.00 H new ATOM 0 HG SER A 10 8.731 17.717 -24.893 1.00 0.00 H new ATOM 163 N GLY A 11 10.665 14.402 -25.656 1.00 0.00 N ATOM 164 CA GLY A 11 12.141 14.346 -25.598 1.00 0.00 C ATOM 165 C GLY A 11 12.917 15.295 -26.534 1.00 0.00 C ATOM 166 O GLY A 11 13.767 14.853 -27.301 1.00 0.00 O ATOM 0 H GLY A 11 10.259 13.539 -26.018 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.448 14.556 -24.573 1.00 0.00 H new ATOM 0 HA3 GLY A 11 12.450 13.325 -25.820 1.00 0.00 H new ATOM 170 N ALA A 12 12.658 16.600 -26.455 1.00 0.00 N ATOM 171 CA ALA A 12 13.311 17.685 -27.187 1.00 0.00 C ATOM 172 C ALA A 12 14.739 17.972 -26.666 1.00 0.00 C ATOM 173 O ALA A 12 15.050 19.078 -26.226 1.00 0.00 O ATOM 174 CB ALA A 12 12.384 18.908 -27.109 1.00 0.00 C ATOM 0 H ALA A 12 11.932 16.953 -25.831 1.00 0.00 H new ATOM 0 HA ALA A 12 13.460 17.404 -28.230 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.837 19.742 -27.645 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.422 18.665 -27.561 1.00 0.00 H new ATOM 0 HB3 ALA A 12 12.235 19.185 -26.066 1.00 0.00 H new ATOM 180 N CYS A 13 15.612 16.960 -26.720 1.00 0.00 N ATOM 181 CA CYS A 13 16.951 16.940 -26.110 1.00 0.00 C ATOM 182 C CYS A 13 16.905 17.160 -24.575 1.00 0.00 C ATOM 183 O CYS A 13 15.831 17.163 -23.974 1.00 0.00 O ATOM 184 CB CYS A 13 17.854 17.930 -26.877 1.00 0.00 C ATOM 185 SG CYS A 13 19.616 17.554 -26.631 1.00 0.00 S ATOM 0 H CYS A 13 15.397 16.093 -27.212 1.00 0.00 H new ATOM 0 HA CYS A 13 17.393 15.948 -26.207 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.618 17.891 -27.940 1.00 0.00 H new ATOM 0 HB3 CYS A 13 17.648 18.947 -26.542 1.00 0.00 H new ATOM 0 HG CYS A 13 20.339 18.407 -27.294 1.00 0.00 H new ATOM 191 N GLY A 14 18.065 17.257 -23.908 1.00 0.00 N ATOM 192 CA GLY A 14 18.285 17.726 -22.520 1.00 0.00 C ATOM 193 C GLY A 14 17.513 17.072 -21.353 1.00 0.00 C ATOM 194 O GLY A 14 17.678 17.484 -20.205 1.00 0.00 O ATOM 0 H GLY A 14 18.943 16.991 -24.353 1.00 0.00 H new ATOM 0 HA2 GLY A 14 19.348 17.618 -22.306 1.00 0.00 H new ATOM 0 HA3 GLY A 14 18.062 18.793 -22.499 1.00 0.00 H new ATOM 198 N TYR A 15 16.650 16.088 -21.605 1.00 0.00 N ATOM 199 CA TYR A 15 15.581 15.719 -20.677 1.00 0.00 C ATOM 200 C TYR A 15 16.058 15.091 -19.363 1.00 0.00 C ATOM 201 O TYR A 15 15.502 15.400 -18.314 1.00 0.00 O ATOM 202 CB TYR A 15 14.538 14.850 -21.388 1.00 0.00 C ATOM 203 CG TYR A 15 14.877 13.392 -21.636 1.00 0.00 C ATOM 204 CD1 TYR A 15 15.869 13.038 -22.572 1.00 0.00 C ATOM 205 CD2 TYR A 15 14.121 12.384 -21.000 1.00 0.00 C ATOM 206 CE1 TYR A 15 16.106 11.683 -22.865 1.00 0.00 C ATOM 207 CE2 TYR A 15 14.344 11.029 -21.304 1.00 0.00 C ATOM 208 CZ TYR A 15 15.335 10.679 -22.245 1.00 0.00 C ATOM 209 OH TYR A 15 15.537 9.379 -22.572 1.00 0.00 O ATOM 0 H TYR A 15 16.672 15.526 -22.456 1.00 0.00 H new ATOM 0 HA TYR A 15 15.115 16.654 -20.366 1.00 0.00 H new ATOM 0 HB2 TYR A 15 13.619 14.885 -20.803 1.00 0.00 H new ATOM 0 HB3 TYR A 15 14.320 15.311 -22.351 1.00 0.00 H new ATOM 0 HD1 TYR A 15 16.447 13.806 -23.064 1.00 0.00 H new ATOM 0 HD2 TYR A 15 13.367 12.655 -20.276 1.00 0.00 H new ATOM 0 HE1 TYR A 15 16.881 11.411 -23.567 1.00 0.00 H new ATOM 0 HE2 TYR A 15 13.760 10.261 -20.820 1.00 0.00 H new ATOM 0 HH TYR A 15 14.926 8.813 -22.055 1.00 0.00 H new ATOM 219 N LYS A 16 17.102 14.256 -19.391 1.00 0.00 N ATOM 220 CA LYS A 16 17.674 13.580 -18.216 1.00 0.00 C ATOM 221 C LYS A 16 17.906 14.490 -16.996 1.00 0.00 C ATOM 222 O LYS A 16 17.287 14.212 -15.971 1.00 0.00 O ATOM 223 CB LYS A 16 18.925 12.779 -18.629 1.00 0.00 C ATOM 224 CG LYS A 16 18.639 11.277 -18.800 1.00 0.00 C ATOM 225 CD LYS A 16 18.372 10.518 -17.486 1.00 0.00 C ATOM 226 CE LYS A 16 19.550 10.680 -16.516 1.00 0.00 C ATOM 227 NZ LYS A 16 19.490 9.729 -15.375 1.00 0.00 N ATOM 0 H LYS A 16 17.589 14.023 -20.257 1.00 0.00 H new ATOM 0 HA LYS A 16 16.919 12.881 -17.855 1.00 0.00 H new ATOM 0 HB2 LYS A 16 19.315 13.179 -19.565 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.702 12.913 -17.877 1.00 0.00 H new ATOM 0 HG2 LYS A 16 17.775 11.158 -19.454 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.487 10.815 -19.305 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.459 10.893 -17.023 1.00 0.00 H new ATOM 0 HD3 LYS A 16 18.211 9.461 -17.697 1.00 0.00 H new ATOM 0 HE2 LYS A 16 20.484 10.532 -17.058 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.562 11.700 -16.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 20.147 10.038 -14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 18.522 9.704 -14.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 19.759 8.779 -15.701 1.00 0.00 H new ATOM 241 N PRO A 17 18.744 15.545 -17.039 1.00 0.00 N ATOM 242 CA PRO A 17 18.916 16.443 -15.890 1.00 0.00 C ATOM 243 C PRO A 17 17.633 17.210 -15.526 1.00 0.00 C ATOM 244 O PRO A 17 17.336 17.364 -14.343 1.00 0.00 O ATOM 245 CB PRO A 17 20.070 17.380 -16.265 1.00 0.00 C ATOM 246 CG PRO A 17 20.086 17.353 -17.793 1.00 0.00 C ATOM 247 CD PRO A 17 19.649 15.924 -18.114 1.00 0.00 C ATOM 0 HA PRO A 17 19.142 15.875 -14.988 1.00 0.00 H new ATOM 0 HB2 PRO A 17 19.905 18.388 -15.885 1.00 0.00 H new ATOM 0 HB3 PRO A 17 21.016 17.034 -15.850 1.00 0.00 H new ATOM 0 HG2 PRO A 17 19.403 18.089 -18.217 1.00 0.00 H new ATOM 0 HG3 PRO A 17 21.077 17.571 -18.191 1.00 0.00 H new ATOM 0 HD2 PRO A 17 19.151 15.874 -19.082 1.00 0.00 H new ATOM 0 HD3 PRO A 17 20.506 15.252 -18.161 1.00 0.00 H new ATOM 255 N LYS A 18 16.834 17.632 -16.518 1.00 0.00 N ATOM 256 CA LYS A 18 15.536 18.309 -16.322 1.00 0.00 C ATOM 257 C LYS A 18 14.536 17.466 -15.519 1.00 0.00 C ATOM 258 O LYS A 18 13.838 17.999 -14.661 1.00 0.00 O ATOM 259 CB LYS A 18 14.979 18.705 -17.699 1.00 0.00 C ATOM 260 CG LYS A 18 13.634 19.444 -17.628 1.00 0.00 C ATOM 261 CD LYS A 18 13.192 19.877 -19.034 1.00 0.00 C ATOM 262 CE LYS A 18 11.752 20.406 -19.063 1.00 0.00 C ATOM 263 NZ LYS A 18 11.574 21.619 -18.225 1.00 0.00 N ATOM 0 H LYS A 18 17.075 17.511 -17.502 1.00 0.00 H new ATOM 0 HA LYS A 18 15.697 19.203 -15.720 1.00 0.00 H new ATOM 0 HB2 LYS A 18 15.706 19.338 -18.207 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.859 17.807 -18.305 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.878 18.796 -17.184 1.00 0.00 H new ATOM 0 HG3 LYS A 18 13.724 20.317 -16.982 1.00 0.00 H new ATOM 0 HD2 LYS A 18 13.867 20.650 -19.401 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.278 19.030 -19.715 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.473 20.635 -20.092 1.00 0.00 H new ATOM 0 HE3 LYS A 18 11.075 19.626 -18.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.567 21.877 -18.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.909 21.426 -17.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.121 22.405 -18.631 1.00 0.00 H new ATOM 277 N TYR A 19 14.482 16.162 -15.794 1.00 0.00 N ATOM 278 CA TYR A 19 13.802 15.156 -14.978 1.00 0.00 C ATOM 279 C TYR A 19 14.444 15.066 -13.595 1.00 0.00 C ATOM 280 O TYR A 19 13.801 15.377 -12.599 1.00 0.00 O ATOM 281 CB TYR A 19 13.852 13.781 -15.676 1.00 0.00 C ATOM 282 CG TYR A 19 12.621 13.400 -16.470 1.00 0.00 C ATOM 283 CD1 TYR A 19 12.402 13.935 -17.754 1.00 0.00 C ATOM 284 CD2 TYR A 19 11.724 12.451 -15.940 1.00 0.00 C ATOM 285 CE1 TYR A 19 11.300 13.499 -18.517 1.00 0.00 C ATOM 286 CE2 TYR A 19 10.622 12.019 -16.699 1.00 0.00 C ATOM 287 CZ TYR A 19 10.414 12.530 -18.000 1.00 0.00 C ATOM 288 OH TYR A 19 9.381 12.093 -18.769 1.00 0.00 O ATOM 0 H TYR A 19 14.927 15.763 -16.621 1.00 0.00 H new ATOM 0 HA TYR A 19 12.760 15.454 -14.859 1.00 0.00 H new ATOM 0 HB2 TYR A 19 14.712 13.766 -16.345 1.00 0.00 H new ATOM 0 HB3 TYR A 19 14.024 13.016 -14.919 1.00 0.00 H new ATOM 0 HD1 TYR A 19 13.077 14.678 -18.153 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.883 12.054 -14.948 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.133 13.909 -19.502 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.934 11.296 -16.287 1.00 0.00 H new ATOM 0 HH TYR A 19 8.604 11.910 -18.200 1.00 0.00 H new ATOM 298 N LEU A 20 15.706 14.633 -13.523 1.00 0.00 N ATOM 299 CA LEU A 20 16.389 14.274 -12.279 1.00 0.00 C ATOM 300 C LEU A 20 16.357 15.379 -11.229 1.00 0.00 C ATOM 301 O LEU A 20 16.160 15.099 -10.059 1.00 0.00 O ATOM 302 CB LEU A 20 17.840 13.878 -12.585 1.00 0.00 C ATOM 303 CG LEU A 20 18.033 12.365 -12.743 1.00 0.00 C ATOM 304 CD1 LEU A 20 17.243 11.708 -13.878 1.00 0.00 C ATOM 305 CD2 LEU A 20 19.518 12.041 -12.926 1.00 0.00 C ATOM 0 H LEU A 20 16.294 14.520 -14.349 1.00 0.00 H new ATOM 0 HA LEU A 20 15.847 13.430 -11.852 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.160 14.376 -13.500 1.00 0.00 H new ATOM 0 HB3 LEU A 20 18.485 14.238 -11.783 1.00 0.00 H new ATOM 0 HG LEU A 20 17.634 11.944 -11.820 1.00 0.00 H new ATOM 0 HD11 LEU A 20 17.455 10.639 -13.897 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.176 11.864 -13.716 1.00 0.00 H new ATOM 0 HD13 LEU A 20 17.535 12.153 -14.829 1.00 0.00 H new ATOM 0 HD21 LEU A 20 19.644 10.964 -13.037 1.00 0.00 H new ATOM 0 HD22 LEU A 20 19.893 12.544 -13.817 1.00 0.00 H new ATOM 0 HD23 LEU A 20 20.075 12.384 -12.054 1.00 0.00 H new ATOM 317 N GLN A 21 16.504 16.646 -11.599 1.00 0.00 N ATOM 318 CA GLN A 21 16.535 17.687 -10.570 1.00 0.00 C ATOM 319 C GLN A 21 15.184 17.832 -9.834 1.00 0.00 C ATOM 320 O GLN A 21 15.180 18.312 -8.705 1.00 0.00 O ATOM 321 CB GLN A 21 17.008 19.016 -11.199 1.00 0.00 C ATOM 322 CG GLN A 21 18.155 19.698 -10.440 1.00 0.00 C ATOM 323 CD GLN A 21 17.737 20.292 -9.100 1.00 0.00 C ATOM 324 OE1 GLN A 21 18.097 19.798 -8.040 1.00 0.00 O ATOM 325 NE2 GLN A 21 17.002 21.380 -9.096 1.00 0.00 N ATOM 0 H GLN A 21 16.600 16.972 -12.561 1.00 0.00 H new ATOM 0 HA GLN A 21 17.249 17.392 -9.801 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.327 18.827 -12.224 1.00 0.00 H new ATOM 0 HB3 GLN A 21 16.163 19.702 -11.250 1.00 0.00 H new ATOM 0 HG2 GLN A 21 18.950 18.972 -10.273 1.00 0.00 H new ATOM 0 HG3 GLN A 21 18.572 20.489 -11.064 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.700 21.795 -9.978 1.00 0.00 H new ATOM 0 HE22 GLN A 21 16.733 21.811 -8.211 1.00 0.00 H new ATOM 334 N LEU A 22 14.076 17.346 -10.416 1.00 0.00 N ATOM 335 CA LEU A 22 12.809 17.075 -9.723 1.00 0.00 C ATOM 336 C LEU A 22 12.749 15.636 -9.167 1.00 0.00 C ATOM 337 O LEU A 22 12.339 15.435 -8.024 1.00 0.00 O ATOM 338 CB LEU A 22 11.667 17.386 -10.713 1.00 0.00 C ATOM 339 CG LEU A 22 10.237 17.250 -10.148 1.00 0.00 C ATOM 340 CD1 LEU A 22 9.278 18.112 -10.971 1.00 0.00 C ATOM 341 CD2 LEU A 22 9.684 15.824 -10.224 1.00 0.00 C ATOM 0 H LEU A 22 14.037 17.125 -11.411 1.00 0.00 H new ATOM 0 HA LEU A 22 12.712 17.712 -8.844 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.797 18.404 -11.082 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.764 16.721 -11.571 1.00 0.00 H new ATOM 0 HG LEU A 22 10.304 17.556 -9.104 1.00 0.00 H new ATOM 0 HD11 LEU A 22 8.268 18.016 -10.572 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.591 19.155 -10.919 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.291 17.780 -12.009 1.00 0.00 H new ATOM 0 HD21 LEU A 22 8.676 15.802 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.656 15.500 -11.264 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.326 15.154 -9.652 1.00 0.00 H new ATOM 353 N LYS A 23 13.145 14.630 -9.958 1.00 0.00 N ATOM 354 CA LYS A 23 12.980 13.190 -9.662 1.00 0.00 C ATOM 355 C LYS A 23 13.834 12.732 -8.476 1.00 0.00 C ATOM 356 O LYS A 23 13.317 12.199 -7.500 1.00 0.00 O ATOM 357 CB LYS A 23 13.327 12.362 -10.917 1.00 0.00 C ATOM 358 CG LYS A 23 12.372 11.204 -11.215 1.00 0.00 C ATOM 359 CD LYS A 23 13.077 9.852 -11.376 1.00 0.00 C ATOM 360 CE LYS A 23 13.789 9.550 -10.066 1.00 0.00 C ATOM 361 NZ LYS A 23 14.157 8.130 -9.906 1.00 0.00 N ATOM 0 H LYS A 23 13.605 14.796 -10.853 1.00 0.00 H new ATOM 0 HA LYS A 23 11.938 13.029 -9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.345 13.028 -11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.334 11.962 -10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.642 11.130 -10.409 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.818 11.426 -12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.356 9.069 -11.610 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.789 9.886 -12.201 1.00 0.00 H new ATOM 0 HE2 LYS A 23 14.691 10.159 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 23 13.146 9.846 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.966 8.052 -9.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.349 7.604 -9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.416 7.732 -10.831 1.00 0.00 H new ATOM 375 N GLU A 24 15.129 13.032 -8.567 1.00 0.00 N ATOM 376 CA GLU A 24 16.169 12.852 -7.549 1.00 0.00 C ATOM 377 C GLU A 24 15.980 13.800 -6.345 1.00 0.00 C ATOM 378 O GLU A 24 16.777 13.786 -5.411 1.00 0.00 O ATOM 379 CB GLU A 24 17.571 13.012 -8.207 1.00 0.00 C ATOM 380 CG GLU A 24 18.334 11.676 -8.363 1.00 0.00 C ATOM 381 CD GLU A 24 17.831 10.827 -9.553 1.00 0.00 C ATOM 382 OE1 GLU A 24 16.608 10.838 -9.814 1.00 0.00 O ATOM 383 OE2 GLU A 24 18.664 10.245 -10.287 1.00 0.00 O ATOM 0 H GLU A 24 15.510 13.439 -9.421 1.00 0.00 H new ATOM 0 HA GLU A 24 16.086 11.843 -7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.453 13.471 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.170 13.696 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 24 19.396 11.884 -8.496 1.00 0.00 H new ATOM 0 HG3 GLU A 24 18.235 11.098 -7.444 1.00 0.00 H new ATOM 390 N LYS A 25 14.940 14.650 -6.352 1.00 0.00 N ATOM 391 CA LYS A 25 14.339 15.280 -5.170 1.00 0.00 C ATOM 392 C LYS A 25 13.260 14.388 -4.555 1.00 0.00 C ATOM 393 O LYS A 25 13.412 13.911 -3.443 1.00 0.00 O ATOM 394 CB LYS A 25 13.788 16.675 -5.543 1.00 0.00 C ATOM 395 CG LYS A 25 14.510 17.805 -4.801 1.00 0.00 C ATOM 396 CD LYS A 25 15.814 18.310 -5.443 1.00 0.00 C ATOM 397 CE LYS A 25 16.629 17.162 -6.040 1.00 0.00 C ATOM 398 NZ LYS A 25 17.996 17.559 -6.429 1.00 0.00 N ATOM 0 H LYS A 25 14.478 14.927 -7.218 1.00 0.00 H new ATOM 0 HA LYS A 25 15.109 15.410 -4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.889 16.827 -6.618 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.723 16.715 -5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.825 18.647 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.735 17.464 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.579 19.034 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 25 16.411 18.830 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.686 16.350 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.108 16.772 -6.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.437 16.793 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 17.955 18.421 -7.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 18.560 17.743 -5.575 1.00 0.00 H new ATOM 412 N LEU A 26 12.226 14.044 -5.308 1.00 0.00 N ATOM 413 CA LEU A 26 11.051 13.353 -4.775 1.00 0.00 C ATOM 414 C LEU A 26 11.373 11.990 -4.125 1.00 0.00 C ATOM 415 O LEU A 26 10.819 11.616 -3.095 1.00 0.00 O ATOM 416 CB LEU A 26 10.030 13.257 -5.919 1.00 0.00 C ATOM 417 CG LEU A 26 8.616 13.630 -5.476 1.00 0.00 C ATOM 418 CD1 LEU A 26 8.446 15.110 -5.108 1.00 0.00 C ATOM 419 CD2 LEU A 26 7.639 13.321 -6.616 1.00 0.00 C ATOM 0 H LEU A 26 12.173 14.235 -6.309 1.00 0.00 H new ATOM 0 HA LEU A 26 10.633 13.923 -3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.338 13.915 -6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.027 12.241 -6.314 1.00 0.00 H new ATOM 0 HG LEU A 26 8.416 13.044 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.415 15.293 -4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.116 15.360 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.685 15.730 -5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.627 13.584 -6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.913 13.901 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.681 12.258 -6.853 1.00 0.00 H new ATOM 431 N GLU A 27 12.328 11.271 -4.704 1.00 0.00 N ATOM 432 CA GLU A 27 12.967 10.078 -4.136 1.00 0.00 C ATOM 433 C GLU A 27 13.920 10.326 -2.952 1.00 0.00 C ATOM 434 O GLU A 27 14.010 9.486 -2.066 1.00 0.00 O ATOM 435 CB GLU A 27 13.739 9.388 -5.265 1.00 0.00 C ATOM 436 CG GLU A 27 12.983 8.138 -5.720 1.00 0.00 C ATOM 437 CD GLU A 27 13.530 7.578 -7.039 1.00 0.00 C ATOM 438 OE1 GLU A 27 14.749 7.705 -7.302 1.00 0.00 O ATOM 439 OE2 GLU A 27 12.730 7.129 -7.894 1.00 0.00 O ATOM 0 H GLU A 27 12.698 11.510 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 27 12.165 9.467 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 27 13.865 10.073 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 27 14.737 9.116 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 27 13.051 7.373 -4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.926 8.378 -5.839 1.00 0.00 H new ATOM 446 N HIS A 28 14.627 11.453 -2.909 1.00 0.00 N ATOM 447 CA HIS A 28 15.388 11.936 -1.747 1.00 0.00 C ATOM 448 C HIS A 28 14.489 12.257 -0.541 1.00 0.00 C ATOM 449 O HIS A 28 14.828 11.943 0.600 1.00 0.00 O ATOM 450 CB HIS A 28 16.205 13.166 -2.183 1.00 0.00 C ATOM 451 CG HIS A 28 16.517 14.189 -1.118 1.00 0.00 C ATOM 452 ND1 HIS A 28 15.843 15.376 -0.933 1.00 0.00 N ATOM 453 CD2 HIS A 28 17.505 14.125 -0.175 1.00 0.00 C ATOM 454 CE1 HIS A 28 16.419 16.017 0.095 1.00 0.00 C ATOM 455 NE2 HIS A 28 17.451 15.304 0.578 1.00 0.00 N ATOM 0 H HIS A 28 14.691 12.082 -3.709 1.00 0.00 H new ATOM 0 HA HIS A 28 16.055 11.143 -1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 28 17.147 12.816 -2.604 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.664 13.666 -2.986 1.00 0.00 H new ATOM 0 HD1 HIS A 28 15.048 15.708 -1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 28 18.202 13.311 -0.036 1.00 0.00 H new ATOM 0 HE1 HIS A 28 16.098 16.973 0.481 1.00 0.00 H new ATOM 463 N GLU A 29 13.345 12.883 -0.809 1.00 0.00 N ATOM 464 CA GLU A 29 12.322 13.263 0.153 1.00 0.00 C ATOM 465 C GLU A 29 11.594 12.051 0.762 1.00 0.00 C ATOM 466 O GLU A 29 11.289 12.033 1.956 1.00 0.00 O ATOM 467 CB GLU A 29 11.298 14.145 -0.571 1.00 0.00 C ATOM 468 CG GLU A 29 11.585 15.655 -0.573 1.00 0.00 C ATOM 469 CD GLU A 29 12.243 16.131 -1.876 1.00 0.00 C ATOM 470 OE1 GLU A 29 11.520 16.233 -2.898 1.00 0.00 O ATOM 471 OE2 GLU A 29 13.466 16.416 -1.855 1.00 0.00 O ATOM 0 H GLU A 29 13.096 13.153 -1.761 1.00 0.00 H new ATOM 0 HA GLU A 29 12.809 13.789 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.226 13.808 -1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.322 13.982 -0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.652 16.198 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.235 15.898 0.268 1.00 0.00 H new ATOM 478 N PHE A 30 11.283 11.048 -0.066 1.00 0.00 N ATOM 479 CA PHE A 30 10.406 9.925 0.280 1.00 0.00 C ATOM 480 C PHE A 30 10.939 8.531 -0.153 1.00 0.00 C ATOM 481 O PHE A 30 10.185 7.756 -0.754 1.00 0.00 O ATOM 482 CB PHE A 30 9.022 10.212 -0.328 1.00 0.00 C ATOM 483 CG PHE A 30 8.469 11.618 -0.146 1.00 0.00 C ATOM 484 CD1 PHE A 30 8.208 12.122 1.142 1.00 0.00 C ATOM 485 CD2 PHE A 30 8.273 12.448 -1.268 1.00 0.00 C ATOM 486 CE1 PHE A 30 7.791 13.454 1.307 1.00 0.00 C ATOM 487 CE2 PHE A 30 7.840 13.776 -1.108 1.00 0.00 C ATOM 488 CZ PHE A 30 7.611 14.281 0.181 1.00 0.00 C ATOM 0 H PHE A 30 11.643 10.994 -1.019 1.00 0.00 H new ATOM 0 HA PHE A 30 10.356 9.859 1.367 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.071 10.002 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.309 9.509 0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.328 11.484 2.005 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.457 12.061 -2.259 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.608 13.844 2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.684 14.404 -1.973 1.00 0.00 H new ATOM 0 HZ PHE A 30 7.296 15.306 0.310 1.00 0.00 H new ATOM 498 N PRO A 31 12.204 8.158 0.135 1.00 0.00 N ATOM 499 CA PRO A 31 12.855 6.985 -0.462 1.00 0.00 C ATOM 500 C PRO A 31 12.166 5.660 -0.119 1.00 0.00 C ATOM 501 O PRO A 31 11.764 5.440 1.026 1.00 0.00 O ATOM 502 CB PRO A 31 14.303 7.004 0.043 1.00 0.00 C ATOM 503 CG PRO A 31 14.244 7.859 1.309 1.00 0.00 C ATOM 504 CD PRO A 31 13.132 8.859 1.007 1.00 0.00 C ATOM 0 HA PRO A 31 12.797 7.046 -1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.664 5.998 0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 31 14.978 7.434 -0.697 1.00 0.00 H new ATOM 0 HG2 PRO A 31 14.016 7.258 2.190 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.193 8.359 1.501 1.00 0.00 H new ATOM 0 HD2 PRO A 31 12.639 9.186 1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 31 13.528 9.751 0.522 1.00 0.00 H new ATOM 512 N GLY A 32 12.039 4.774 -1.114 1.00 0.00 N ATOM 513 CA GLY A 32 11.442 3.427 -1.034 1.00 0.00 C ATOM 514 C GLY A 32 9.942 3.379 -0.747 1.00 0.00 C ATOM 515 O GLY A 32 9.231 2.467 -1.162 1.00 0.00 O ATOM 0 H GLY A 32 12.369 4.987 -2.055 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.629 2.911 -1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 32 11.960 2.867 -0.255 1.00 0.00 H new ATOM 519 N CYS A 33 9.417 4.405 -0.087 1.00 0.00 N ATOM 520 CA CYS A 33 7.996 4.650 0.049 1.00 0.00 C ATOM 521 C CYS A 33 7.357 5.054 -1.292 1.00 0.00 C ATOM 522 O CYS A 33 6.135 5.019 -1.444 1.00 0.00 O ATOM 523 CB CYS A 33 7.788 5.730 1.112 1.00 0.00 C ATOM 524 SG CYS A 33 8.773 5.443 2.618 1.00 0.00 S ATOM 0 H CYS A 33 9.990 5.107 0.380 1.00 0.00 H new ATOM 0 HA CYS A 33 7.501 3.730 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.050 6.701 0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.732 5.772 1.378 1.00 0.00 H new ATOM 0 HG CYS A 33 10.038 5.473 2.321 1.00 0.00 H new ATOM 530 N LEU A 34 8.179 5.456 -2.260 1.00 0.00 N ATOM 531 CA LEU A 34 7.761 6.027 -3.529 1.00 0.00 C ATOM 532 C LEU A 34 8.659 5.586 -4.688 1.00 0.00 C ATOM 533 O LEU A 34 9.827 5.243 -4.523 1.00 0.00 O ATOM 534 CB LEU A 34 7.777 7.564 -3.402 1.00 0.00 C ATOM 535 CG LEU A 34 6.375 8.186 -3.276 1.00 0.00 C ATOM 536 CD1 LEU A 34 6.394 9.461 -2.444 1.00 0.00 C ATOM 537 CD2 LEU A 34 5.846 8.609 -4.638 1.00 0.00 C ATOM 0 H LEU A 34 9.193 5.388 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 34 6.757 5.669 -3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.369 7.842 -2.530 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.276 7.987 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 34 5.755 7.419 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.385 9.868 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.759 9.236 -1.442 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.051 10.192 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.854 9.046 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.519 9.346 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.786 7.739 -5.291 1.00 0.00 H new ATOM 549 N ASP A 35 8.077 5.724 -5.869 1.00 0.00 N ATOM 550 CA ASP A 35 8.655 5.587 -7.204 1.00 0.00 C ATOM 551 C ASP A 35 8.333 6.838 -8.024 1.00 0.00 C ATOM 552 O ASP A 35 7.261 7.431 -7.884 1.00 0.00 O ATOM 553 CB ASP A 35 7.976 4.375 -7.846 1.00 0.00 C ATOM 554 CG ASP A 35 8.128 4.207 -9.361 1.00 0.00 C ATOM 555 OD1 ASP A 35 9.232 4.404 -9.907 1.00 0.00 O ATOM 556 OD2 ASP A 35 7.088 3.933 -10.008 1.00 0.00 O ATOM 0 H ASP A 35 7.086 5.959 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 35 9.737 5.464 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.365 3.477 -7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.911 4.424 -7.617 1.00 0.00 H new ATOM 561 N ILE A 36 9.210 7.179 -8.961 1.00 0.00 N ATOM 562 CA ILE A 36 8.928 8.063 -10.080 1.00 0.00 C ATOM 563 C ILE A 36 9.568 7.474 -11.343 1.00 0.00 C ATOM 564 O ILE A 36 10.763 7.178 -11.390 1.00 0.00 O ATOM 565 CB ILE A 36 9.494 9.476 -9.883 1.00 0.00 C ATOM 566 CG1 ILE A 36 9.372 10.112 -8.480 1.00 0.00 C ATOM 567 CG2 ILE A 36 8.933 10.443 -10.947 1.00 0.00 C ATOM 568 CD1 ILE A 36 10.710 9.967 -7.751 1.00 0.00 C ATOM 0 H ILE A 36 10.170 6.834 -8.960 1.00 0.00 H new ATOM 0 HA ILE A 36 7.844 8.142 -10.162 1.00 0.00 H new ATOM 0 HB ILE A 36 10.566 9.321 -10.002 1.00 0.00 H new ATOM 0 HG12 ILE A 36 9.102 11.164 -8.566 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.579 9.624 -7.913 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.347 11.439 -10.788 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.208 10.090 -11.941 1.00 0.00 H new ATOM 0 HG23 ILE A 36 7.847 10.485 -10.864 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.634 10.413 -6.759 1.00 0.00 H new ATOM 0 HD12 ILE A 36 10.960 8.910 -7.656 1.00 0.00 H new ATOM 0 HD13 ILE A 36 11.490 10.474 -8.318 1.00 0.00 H new ATOM 580 N CYS A 37 8.785 7.450 -12.410 1.00 0.00 N ATOM 581 CA CYS A 37 9.222 7.116 -13.766 1.00 0.00 C ATOM 582 C CYS A 37 8.761 8.133 -14.822 1.00 0.00 C ATOM 583 O CYS A 37 8.128 9.150 -14.532 1.00 0.00 O ATOM 584 CB CYS A 37 8.834 5.662 -14.084 1.00 0.00 C ATOM 585 SG CYS A 37 10.312 4.760 -14.619 1.00 0.00 S ATOM 0 H CYS A 37 7.790 7.670 -12.359 1.00 0.00 H new ATOM 0 HA CYS A 37 10.309 7.187 -13.808 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.401 5.187 -13.204 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.075 5.637 -14.865 1.00 0.00 H new ATOM 0 HG CYS A 37 9.995 3.528 -14.888 1.00 0.00 H new ATOM 591 N GLY A 38 9.109 7.878 -16.082 1.00 0.00 N ATOM 592 CA GLY A 38 8.756 8.750 -17.208 1.00 0.00 C ATOM 593 C GLY A 38 8.599 8.016 -18.534 1.00 0.00 C ATOM 594 O GLY A 38 9.399 7.157 -18.890 1.00 0.00 O ATOM 0 H GLY A 38 9.647 7.056 -16.355 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.824 9.265 -16.977 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.525 9.515 -17.317 1.00 0.00 H new ATOM 598 N GLU A 39 7.538 8.366 -19.255 1.00 0.00 N ATOM 599 CA GLU A 39 6.887 7.520 -20.265 1.00 0.00 C ATOM 600 C GLU A 39 6.596 8.355 -21.518 1.00 0.00 C ATOM 601 O GLU A 39 5.490 8.415 -22.049 1.00 0.00 O ATOM 602 CB GLU A 39 5.630 6.911 -19.622 1.00 0.00 C ATOM 603 CG GLU A 39 5.983 5.794 -18.615 1.00 0.00 C ATOM 604 CD GLU A 39 4.868 5.464 -17.612 1.00 0.00 C ATOM 605 OE1 GLU A 39 3.946 6.290 -17.433 1.00 0.00 O ATOM 606 OE2 GLU A 39 5.010 4.439 -16.903 1.00 0.00 O ATOM 0 H GLU A 39 7.088 9.276 -19.153 1.00 0.00 H new ATOM 0 HA GLU A 39 7.526 6.700 -20.592 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.067 7.693 -19.114 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.983 6.507 -20.401 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.235 4.890 -19.169 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.875 6.089 -18.063 1.00 0.00 H new ATOM 613 N GLY A 40 7.625 9.090 -21.933 1.00 0.00 N ATOM 614 CA GLY A 40 7.588 10.186 -22.897 1.00 0.00 C ATOM 615 C GLY A 40 7.277 9.792 -24.339 1.00 0.00 C ATOM 616 O GLY A 40 8.186 9.660 -25.156 1.00 0.00 O ATOM 0 H GLY A 40 8.568 8.925 -21.582 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.841 10.909 -22.569 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.552 10.694 -22.879 1.00 0.00 H new ATOM 620 N THR A 41 5.991 9.624 -24.659 1.00 0.00 N ATOM 621 CA THR A 41 5.503 9.389 -26.025 1.00 0.00 C ATOM 622 C THR A 41 5.932 10.484 -27.022 1.00 0.00 C ATOM 623 O THR A 41 5.908 11.671 -26.682 1.00 0.00 O ATOM 624 CB THR A 41 3.974 9.213 -26.044 1.00 0.00 C ATOM 625 OG1 THR A 41 3.509 8.877 -27.332 1.00 0.00 O ATOM 626 CG2 THR A 41 3.166 10.425 -25.577 1.00 0.00 C ATOM 0 H THR A 41 5.244 9.648 -23.965 1.00 0.00 H new ATOM 0 HA THR A 41 5.972 8.463 -26.357 1.00 0.00 H new ATOM 0 HB THR A 41 3.811 8.409 -25.327 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.558 9.665 -27.913 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.102 10.195 -25.630 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.435 10.667 -24.549 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.385 11.278 -26.220 1.00 0.00 H new ATOM 634 N PRO A 42 6.259 10.112 -28.278 1.00 0.00 N ATOM 635 CA PRO A 42 6.361 11.042 -29.399 1.00 0.00 C ATOM 636 C PRO A 42 4.960 11.469 -29.889 1.00 0.00 C ATOM 637 O PRO A 42 3.946 11.139 -29.266 1.00 0.00 O ATOM 638 CB PRO A 42 7.164 10.268 -30.452 1.00 0.00 C ATOM 639 CG PRO A 42 6.694 8.829 -30.254 1.00 0.00 C ATOM 640 CD PRO A 42 6.444 8.742 -28.749 1.00 0.00 C ATOM 0 HA PRO A 42 6.853 11.980 -29.143 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.956 10.625 -31.461 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.238 10.367 -30.294 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.789 8.620 -30.824 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.448 8.112 -30.578 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.563 8.137 -28.537 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.285 8.268 -28.243 1.00 0.00 H new ATOM 648 N GLN A 43 4.911 12.212 -31.004 1.00 0.00 N ATOM 649 CA GLN A 43 3.740 12.866 -31.619 1.00 0.00 C ATOM 650 C GLN A 43 3.148 14.003 -30.768 1.00 0.00 C ATOM 651 O GLN A 43 2.943 15.102 -31.281 1.00 0.00 O ATOM 652 CB GLN A 43 2.690 11.824 -32.057 1.00 0.00 C ATOM 653 CG GLN A 43 1.619 12.425 -32.982 1.00 0.00 C ATOM 654 CD GLN A 43 0.615 11.372 -33.443 1.00 0.00 C ATOM 655 OE1 GLN A 43 -0.123 10.800 -32.663 1.00 0.00 O ATOM 656 NE2 GLN A 43 0.536 11.070 -34.721 1.00 0.00 N ATOM 0 H GLN A 43 5.757 12.387 -31.546 1.00 0.00 H new ATOM 0 HA GLN A 43 4.097 13.365 -32.520 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.190 11.002 -32.570 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.209 11.403 -31.174 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.094 13.224 -32.459 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.100 12.875 -33.851 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.144 11.536 -35.394 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.134 10.370 -35.039 1.00 0.00 H new ATOM 665 N VAL A 44 2.923 13.779 -29.472 1.00 0.00 N ATOM 666 CA VAL A 44 2.667 14.843 -28.490 1.00 0.00 C ATOM 667 C VAL A 44 3.932 15.706 -28.329 1.00 0.00 C ATOM 668 O VAL A 44 5.056 15.232 -28.494 1.00 0.00 O ATOM 669 CB VAL A 44 2.201 14.258 -27.137 1.00 0.00 C ATOM 670 CG1 VAL A 44 1.569 15.341 -26.246 1.00 0.00 C ATOM 671 CG2 VAL A 44 1.138 13.160 -27.313 1.00 0.00 C ATOM 0 H VAL A 44 2.913 12.843 -29.066 1.00 0.00 H new ATOM 0 HA VAL A 44 1.857 15.475 -28.854 1.00 0.00 H new ATOM 0 HB VAL A 44 3.098 13.845 -26.677 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.252 14.897 -25.303 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.301 16.124 -26.050 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.705 15.771 -26.753 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.842 12.780 -26.335 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.267 13.575 -27.820 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.551 12.346 -27.909 1.00 0.00 H new ATOM 681 N THR A 45 3.757 16.995 -28.024 1.00 0.00 N ATOM 682 CA THR A 45 4.832 17.993 -27.927 1.00 0.00 C ATOM 683 C THR A 45 4.525 19.081 -26.890 1.00 0.00 C ATOM 684 O THR A 45 3.392 19.214 -26.425 1.00 0.00 O ATOM 685 CB THR A 45 5.117 18.594 -29.314 1.00 0.00 C ATOM 686 OG1 THR A 45 6.278 19.388 -29.260 1.00 0.00 O ATOM 687 CG2 THR A 45 3.987 19.467 -29.862 1.00 0.00 C ATOM 0 H THR A 45 2.835 17.387 -27.831 1.00 0.00 H new ATOM 0 HA THR A 45 5.731 17.486 -27.576 1.00 0.00 H new ATOM 0 HB THR A 45 5.231 17.740 -29.982 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.456 19.767 -30.146 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.267 19.852 -30.843 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.078 18.872 -29.952 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.809 20.301 -29.183 1.00 0.00 H new ATOM 695 N GLY A 46 5.545 19.867 -26.529 1.00 0.00 N ATOM 696 CA GLY A 46 5.430 21.066 -25.696 1.00 0.00 C ATOM 697 C GLY A 46 4.904 20.841 -24.274 1.00 0.00 C ATOM 698 O GLY A 46 4.326 21.774 -23.708 1.00 0.00 O ATOM 0 H GLY A 46 6.505 19.679 -26.819 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.411 21.536 -25.630 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.771 21.774 -26.199 1.00 0.00 H new ATOM 702 N PHE A 47 5.090 19.645 -23.697 1.00 0.00 N ATOM 703 CA PHE A 47 4.391 19.176 -22.487 1.00 0.00 C ATOM 704 C PHE A 47 5.334 18.707 -21.349 1.00 0.00 C ATOM 705 O PHE A 47 6.548 18.876 -21.478 1.00 0.00 O ATOM 706 CB PHE A 47 3.302 18.176 -22.912 1.00 0.00 C ATOM 707 CG PHE A 47 3.690 16.741 -23.222 1.00 0.00 C ATOM 708 CD1 PHE A 47 4.516 16.411 -24.315 1.00 0.00 C ATOM 709 CD2 PHE A 47 3.066 15.711 -22.498 1.00 0.00 C ATOM 710 CE1 PHE A 47 4.708 15.062 -24.674 1.00 0.00 C ATOM 711 CE2 PHE A 47 3.235 14.373 -22.879 1.00 0.00 C ATOM 712 CZ PHE A 47 4.072 14.043 -23.954 1.00 0.00 C ATOM 0 H PHE A 47 5.747 18.958 -24.067 1.00 0.00 H new ATOM 0 HA PHE A 47 3.894 20.018 -22.005 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.555 18.149 -22.119 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.813 18.582 -23.798 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.003 17.193 -24.878 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.452 15.952 -21.643 1.00 0.00 H new ATOM 0 HE1 PHE A 47 5.348 14.813 -25.508 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.718 13.592 -22.342 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.225 13.009 -24.225 1.00 0.00 H new ATOM 722 N PHE A 48 4.790 18.254 -20.206 1.00 0.00 N ATOM 723 CA PHE A 48 5.417 17.749 -18.954 1.00 0.00 C ATOM 724 C PHE A 48 4.295 17.414 -17.941 1.00 0.00 C ATOM 725 O PHE A 48 3.976 18.203 -17.050 1.00 0.00 O ATOM 726 CB PHE A 48 6.427 18.761 -18.353 1.00 0.00 C ATOM 727 CG PHE A 48 7.389 18.249 -17.295 1.00 0.00 C ATOM 728 CD1 PHE A 48 7.022 18.268 -15.936 1.00 0.00 C ATOM 729 CD2 PHE A 48 8.699 17.869 -17.646 1.00 0.00 C ATOM 730 CE1 PHE A 48 7.946 17.894 -14.945 1.00 0.00 C ATOM 731 CE2 PHE A 48 9.623 17.490 -16.657 1.00 0.00 C ATOM 732 CZ PHE A 48 9.248 17.505 -15.303 1.00 0.00 C ATOM 0 H PHE A 48 3.774 18.227 -20.119 1.00 0.00 H new ATOM 0 HA PHE A 48 5.990 16.851 -19.186 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.016 19.174 -19.172 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.860 19.586 -17.921 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.025 18.572 -15.653 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.996 17.869 -18.684 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.654 17.906 -13.905 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.621 17.187 -16.938 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.957 17.219 -14.541 1.00 0.00 H new ATOM 742 N GLU A 49 3.612 16.285 -18.113 1.00 0.00 N ATOM 743 CA GLU A 49 2.325 16.018 -17.462 1.00 0.00 C ATOM 744 C GLU A 49 2.525 15.084 -16.258 1.00 0.00 C ATOM 745 O GLU A 49 2.931 13.931 -16.453 1.00 0.00 O ATOM 746 CB GLU A 49 1.410 15.410 -18.534 1.00 0.00 C ATOM 747 CG GLU A 49 0.535 16.382 -19.354 1.00 0.00 C ATOM 748 CD GLU A 49 0.907 17.878 -19.368 1.00 0.00 C ATOM 749 OE1 GLU A 49 2.013 18.282 -19.789 1.00 0.00 O ATOM 750 OE2 GLU A 49 0.016 18.692 -19.047 1.00 0.00 O ATOM 0 H GLU A 49 3.934 15.524 -18.710 1.00 0.00 H new ATOM 0 HA GLU A 49 1.870 16.926 -17.066 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.033 14.849 -19.230 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.750 14.692 -18.046 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.531 16.032 -20.386 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.487 16.299 -18.985 1.00 0.00 H new ATOM 757 N VAL A 50 2.301 15.578 -15.022 1.00 0.00 N ATOM 758 CA VAL A 50 2.785 14.876 -13.822 1.00 0.00 C ATOM 759 C VAL A 50 1.625 14.221 -13.088 1.00 0.00 C ATOM 760 O VAL A 50 0.646 14.886 -12.738 1.00 0.00 O ATOM 761 CB VAL A 50 3.570 15.797 -12.871 1.00 0.00 C ATOM 762 CG1 VAL A 50 4.231 14.995 -11.741 1.00 0.00 C ATOM 763 CG2 VAL A 50 4.678 16.575 -13.599 1.00 0.00 C ATOM 0 H VAL A 50 1.797 16.445 -14.834 1.00 0.00 H new ATOM 0 HA VAL A 50 3.479 14.107 -14.162 1.00 0.00 H new ATOM 0 HB VAL A 50 2.839 16.497 -12.466 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.778 15.673 -11.086 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.464 14.475 -11.167 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.921 14.267 -12.167 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.204 17.211 -12.887 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.381 15.873 -14.047 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.235 17.193 -14.380 1.00 0.00 H new ATOM 773 N THR A 51 1.766 12.927 -12.804 1.00 0.00 N ATOM 774 CA THR A 51 0.724 12.078 -12.218 1.00 0.00 C ATOM 775 C THR A 51 1.300 11.253 -11.074 1.00 0.00 C ATOM 776 O THR A 51 2.420 10.765 -11.165 1.00 0.00 O ATOM 777 CB THR A 51 0.167 11.100 -13.268 1.00 0.00 C ATOM 778 OG1 THR A 51 -0.032 11.737 -14.507 1.00 0.00 O ATOM 779 CG2 THR A 51 -1.170 10.474 -12.925 1.00 0.00 C ATOM 0 H THR A 51 2.635 12.423 -12.980 1.00 0.00 H new ATOM 0 HA THR A 51 -0.070 12.731 -11.856 1.00 0.00 H new ATOM 0 HB THR A 51 0.930 10.322 -13.300 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.384 11.091 -15.154 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.474 9.802 -13.728 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.081 9.912 -11.996 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.918 11.257 -12.805 1.00 0.00 H new ATOM 787 N VAL A 52 0.513 11.001 -10.033 1.00 0.00 N ATOM 788 CA VAL A 52 0.788 10.023 -8.968 1.00 0.00 C ATOM 789 C VAL A 52 -0.410 9.098 -8.779 1.00 0.00 C ATOM 790 O VAL A 52 -1.547 9.553 -8.769 1.00 0.00 O ATOM 791 CB VAL A 52 1.206 10.734 -7.670 1.00 0.00 C ATOM 792 CG1 VAL A 52 0.118 11.651 -7.093 1.00 0.00 C ATOM 793 CG2 VAL A 52 1.603 9.729 -6.586 1.00 0.00 C ATOM 0 H VAL A 52 -0.372 11.489 -9.896 1.00 0.00 H new ATOM 0 HA VAL A 52 1.631 9.397 -9.262 1.00 0.00 H new ATOM 0 HB VAL A 52 2.059 11.351 -7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.483 12.118 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.131 12.423 -7.821 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.772 11.063 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.893 10.265 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.757 9.078 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.442 9.128 -6.937 1.00 0.00 H new ATOM 803 N ALA A 53 -0.179 7.786 -8.716 1.00 0.00 N ATOM 804 CA ALA A 53 -1.206 6.736 -8.627 1.00 0.00 C ATOM 805 C ALA A 53 -2.439 6.974 -9.540 1.00 0.00 C ATOM 806 O ALA A 53 -3.591 6.760 -9.143 1.00 0.00 O ATOM 807 CB ALA A 53 -1.562 6.543 -7.149 1.00 0.00 C ATOM 0 H ALA A 53 0.767 7.405 -8.726 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.794 5.808 -9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.323 5.768 -7.056 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.671 6.245 -6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.945 7.479 -6.742 1.00 0.00 H new ATOM 813 N GLY A 54 -2.203 7.467 -10.765 1.00 0.00 N ATOM 814 CA GLY A 54 -3.255 7.805 -11.736 1.00 0.00 C ATOM 815 C GLY A 54 -4.035 9.096 -11.440 1.00 0.00 C ATOM 816 O GLY A 54 -5.225 9.163 -11.731 1.00 0.00 O ATOM 0 H GLY A 54 -1.261 7.645 -11.114 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.800 7.893 -12.723 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.962 6.976 -11.784 1.00 0.00 H new ATOM 820 N LYS A 55 -3.404 10.102 -10.826 1.00 0.00 N ATOM 821 CA LYS A 55 -3.982 11.384 -10.387 1.00 0.00 C ATOM 822 C LYS A 55 -3.045 12.532 -10.786 1.00 0.00 C ATOM 823 O LYS A 55 -1.899 12.555 -10.339 1.00 0.00 O ATOM 824 CB LYS A 55 -4.200 11.375 -8.867 1.00 0.00 C ATOM 825 CG LYS A 55 -4.862 10.121 -8.265 1.00 0.00 C ATOM 826 CD LYS A 55 -6.347 9.933 -8.634 1.00 0.00 C ATOM 827 CE LYS A 55 -6.741 8.499 -9.037 1.00 0.00 C ATOM 828 NZ LYS A 55 -6.127 7.448 -8.187 1.00 0.00 N ATOM 0 H LYS A 55 -2.410 10.042 -10.606 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.948 11.528 -10.871 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.232 11.512 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.811 12.239 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.307 9.242 -8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.775 10.167 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.958 10.236 -7.784 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.589 10.605 -9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.826 8.403 -8.990 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.451 8.330 -10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.736 6.605 -8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.191 7.198 -8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.023 7.804 -7.215 1.00 0.00 H new ATOM 842 N LEU A 56 -3.468 13.406 -11.699 1.00 0.00 N ATOM 843 CA LEU A 56 -2.700 14.580 -12.142 1.00 0.00 C ATOM 844 C LEU A 56 -2.420 15.527 -10.974 1.00 0.00 C ATOM 845 O LEU A 56 -3.307 15.813 -10.174 1.00 0.00 O ATOM 846 CB LEU A 56 -3.470 15.245 -13.298 1.00 0.00 C ATOM 847 CG LEU A 56 -2.912 16.561 -13.880 1.00 0.00 C ATOM 848 CD1 LEU A 56 -3.426 16.722 -15.316 1.00 0.00 C ATOM 849 CD2 LEU A 56 -3.363 17.819 -13.131 1.00 0.00 C ATOM 0 H LEU A 56 -4.372 13.320 -12.164 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.718 14.284 -12.510 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.539 14.523 -14.112 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.487 15.437 -12.955 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.828 16.481 -13.803 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.039 17.649 -15.739 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.090 15.879 -15.920 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.516 16.753 -15.311 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.927 18.699 -13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.450 17.891 -13.162 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.033 17.763 -12.094 1.00 0.00 H new ATOM 861 N VAL A 57 -1.189 16.030 -10.926 1.00 0.00 N ATOM 862 CA VAL A 57 -0.741 17.052 -9.960 1.00 0.00 C ATOM 863 C VAL A 57 -0.218 18.302 -10.676 1.00 0.00 C ATOM 864 O VAL A 57 -0.242 19.395 -10.114 1.00 0.00 O ATOM 865 CB VAL A 57 0.320 16.488 -8.987 1.00 0.00 C ATOM 866 CG1 VAL A 57 0.483 17.386 -7.751 1.00 0.00 C ATOM 867 CG2 VAL A 57 -0.028 15.083 -8.469 1.00 0.00 C ATOM 0 H VAL A 57 -0.453 15.738 -11.568 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.610 17.342 -9.369 1.00 0.00 H new ATOM 0 HB VAL A 57 1.240 16.448 -9.571 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.236 16.960 -7.088 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.796 18.382 -8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.468 17.454 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.754 14.741 -7.791 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.980 15.116 -7.938 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.105 14.394 -9.310 1.00 0.00 H new ATOM 877 N HIS A 58 0.220 18.150 -11.931 1.00 0.00 N ATOM 878 CA HIS A 58 0.771 19.223 -12.751 1.00 0.00 C ATOM 879 C HIS A 58 0.465 19.019 -14.231 1.00 0.00 C ATOM 880 O HIS A 58 0.396 17.883 -14.706 1.00 0.00 O ATOM 881 CB HIS A 58 2.279 19.210 -12.552 1.00 0.00 C ATOM 882 CG HIS A 58 3.015 20.489 -12.828 1.00 0.00 C ATOM 883 ND1 HIS A 58 2.614 21.792 -12.618 1.00 0.00 N ATOM 884 CD2 HIS A 58 4.290 20.518 -13.308 1.00 0.00 C ATOM 885 CE1 HIS A 58 3.641 22.583 -12.970 1.00 0.00 C ATOM 886 NE2 HIS A 58 4.694 21.849 -13.365 1.00 0.00 N ATOM 0 H HIS A 58 0.198 17.251 -12.413 1.00 0.00 H new ATOM 0 HA HIS A 58 0.325 20.171 -12.451 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.482 18.918 -11.522 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.698 18.433 -13.192 1.00 0.00 H new ATOM 0 HD1 HIS A 58 1.708 22.097 -12.262 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.882 19.661 -13.593 1.00 0.00 H new ATOM 0 HE1 HIS A 58 3.622 23.662 -12.940 1.00 0.00 H new ATOM 894 N SER A 59 0.350 20.118 -14.976 1.00 0.00 N ATOM 895 CA SER A 59 0.040 20.071 -16.398 1.00 0.00 C ATOM 896 C SER A 59 0.715 21.183 -17.195 1.00 0.00 C ATOM 897 O SER A 59 0.168 22.280 -17.371 1.00 0.00 O ATOM 898 CB SER A 59 -1.463 20.204 -16.584 1.00 0.00 C ATOM 899 OG SER A 59 -1.835 19.999 -17.934 1.00 0.00 O ATOM 0 H SER A 59 0.469 21.062 -14.609 1.00 0.00 H new ATOM 0 HA SER A 59 0.414 19.118 -16.771 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.975 19.481 -15.950 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.785 21.194 -16.262 1.00 0.00 H new ATOM 0 HG SER A 59 -1.052 19.714 -18.449 1.00 0.00 H new ATOM 905 N LYS A 60 1.886 20.921 -17.765 1.00 0.00 N ATOM 906 CA LYS A 60 2.521 21.845 -18.685 1.00 0.00 C ATOM 907 C LYS A 60 1.619 22.150 -19.893 1.00 0.00 C ATOM 908 O LYS A 60 1.667 23.267 -20.421 1.00 0.00 O ATOM 909 CB LYS A 60 3.850 21.183 -19.065 1.00 0.00 C ATOM 910 CG LYS A 60 5.082 22.092 -19.020 1.00 0.00 C ATOM 911 CD LYS A 60 4.901 23.403 -19.769 1.00 0.00 C ATOM 912 CE LYS A 60 4.575 23.050 -21.212 1.00 0.00 C ATOM 913 NZ LYS A 60 3.993 24.165 -21.980 1.00 0.00 N ATOM 0 H LYS A 60 2.416 20.065 -17.601 1.00 0.00 H new ATOM 0 HA LYS A 60 2.697 22.823 -18.237 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.019 20.340 -18.396 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.758 20.777 -20.072 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.325 22.308 -17.980 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.933 21.557 -19.442 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.099 23.993 -19.326 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.807 24.006 -19.715 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.485 22.715 -21.709 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.879 22.211 -21.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.001 23.930 -22.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.014 24.327 -21.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.553 25.026 -21.820 1.00 0.00 H new ATOM 927 N LYS A 61 0.780 21.196 -20.320 1.00 0.00 N ATOM 928 CA LYS A 61 -0.172 21.332 -21.433 1.00 0.00 C ATOM 929 C LYS A 61 -1.391 22.211 -21.117 1.00 0.00 C ATOM 930 O LYS A 61 -1.841 22.919 -22.016 1.00 0.00 O ATOM 931 CB LYS A 61 -0.554 19.925 -21.937 1.00 0.00 C ATOM 932 CG LYS A 61 -1.240 19.931 -23.314 1.00 0.00 C ATOM 933 CD LYS A 61 -2.771 19.965 -23.216 1.00 0.00 C ATOM 934 CE LYS A 61 -3.370 20.337 -24.576 1.00 0.00 C ATOM 935 NZ LYS A 61 -4.839 20.501 -24.483 1.00 0.00 N ATOM 0 H LYS A 61 0.744 20.274 -19.884 1.00 0.00 H new ATOM 0 HA LYS A 61 0.325 21.877 -22.235 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.345 19.311 -21.990 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.218 19.456 -21.211 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.898 20.796 -23.882 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.936 19.044 -23.870 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.146 18.992 -22.897 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.080 20.689 -22.462 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.919 21.262 -24.935 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.133 19.563 -25.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.220 20.753 -25.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -5.268 19.609 -24.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.062 21.256 -23.803 1.00 0.00 H new ATOM 949 N ARG A 62 -1.933 22.218 -19.887 1.00 0.00 N ATOM 950 CA ARG A 62 -3.001 23.160 -19.470 1.00 0.00 C ATOM 951 C ARG A 62 -2.509 24.582 -19.189 1.00 0.00 C ATOM 952 O ARG A 62 -3.307 25.486 -18.949 1.00 0.00 O ATOM 953 CB ARG A 62 -3.787 22.579 -18.282 1.00 0.00 C ATOM 954 CG ARG A 62 -3.303 22.922 -16.860 1.00 0.00 C ATOM 955 CD ARG A 62 -3.998 24.110 -16.207 1.00 0.00 C ATOM 956 NE ARG A 62 -3.061 24.952 -15.437 1.00 0.00 N ATOM 957 CZ ARG A 62 -2.918 26.260 -15.474 1.00 0.00 C ATOM 958 NH1 ARG A 62 -3.378 26.986 -16.456 1.00 0.00 N ATOM 959 NH2 ARG A 62 -2.296 26.853 -14.501 1.00 0.00 N ATOM 0 H ARG A 62 -1.647 21.573 -19.150 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.671 23.266 -20.323 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.822 22.910 -18.372 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.790 21.494 -18.382 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.442 22.047 -16.225 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.232 23.123 -16.897 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.479 24.715 -16.976 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.786 23.749 -15.546 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.445 24.456 -14.793 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.869 26.542 -17.232 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -3.247 27.997 -16.447 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.927 26.306 -13.723 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.177 27.866 -14.514 1.00 0.00 H new ATOM 973 N GLY A 63 -1.193 24.763 -19.180 1.00 0.00 N ATOM 974 CA GLY A 63 -0.541 26.028 -18.864 1.00 0.00 C ATOM 975 C GLY A 63 -0.174 26.173 -17.395 1.00 0.00 C ATOM 976 O GLY A 63 -0.136 27.294 -16.895 1.00 0.00 O ATOM 0 H GLY A 63 -0.534 24.015 -19.398 1.00 0.00 H new ATOM 0 HA2 GLY A 63 0.362 26.122 -19.467 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.201 26.848 -19.148 1.00 0.00 H new ATOM 980 N ASP A 64 0.074 25.063 -16.698 1.00 0.00 N ATOM 981 CA ASP A 64 0.571 25.108 -15.326 1.00 0.00 C ATOM 982 C ASP A 64 2.058 25.478 -15.211 1.00 0.00 C ATOM 983 O ASP A 64 2.503 25.843 -14.128 1.00 0.00 O ATOM 984 CB ASP A 64 0.244 23.777 -14.639 1.00 0.00 C ATOM 985 CG ASP A 64 -0.224 24.006 -13.207 1.00 0.00 C ATOM 986 OD1 ASP A 64 -1.247 24.725 -13.087 1.00 0.00 O ATOM 987 OD2 ASP A 64 0.400 23.429 -12.287 1.00 0.00 O ATOM 0 H ASP A 64 -0.062 24.121 -17.064 1.00 0.00 H new ATOM 0 HA ASP A 64 0.060 25.921 -14.811 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.531 23.254 -15.200 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.126 23.136 -14.640 1.00 0.00 H new ATOM 992 N GLY A 65 2.821 25.456 -16.313 1.00 0.00 N ATOM 993 CA GLY A 65 4.268 25.648 -16.324 1.00 0.00 C ATOM 994 C GLY A 65 4.973 24.328 -16.045 1.00 0.00 C ATOM 995 O GLY A 65 4.330 23.283 -16.017 1.00 0.00 O ATOM 0 H GLY A 65 2.433 25.300 -17.243 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.583 26.040 -17.291 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.550 26.386 -15.573 1.00 0.00 H new ATOM 999 N TYR A 66 6.291 24.371 -15.898 1.00 0.00 N ATOM 1000 CA TYR A 66 7.047 23.406 -15.104 1.00 0.00 C ATOM 1001 C TYR A 66 7.015 23.832 -13.620 1.00 0.00 C ATOM 1002 O TYR A 66 6.278 24.754 -13.257 1.00 0.00 O ATOM 1003 CB TYR A 66 8.485 23.350 -15.632 1.00 0.00 C ATOM 1004 CG TYR A 66 8.638 23.113 -17.124 1.00 0.00 C ATOM 1005 CD1 TYR A 66 8.473 21.819 -17.657 1.00 0.00 C ATOM 1006 CD2 TYR A 66 8.955 24.188 -17.978 1.00 0.00 C ATOM 1007 CE1 TYR A 66 8.594 21.609 -19.044 1.00 0.00 C ATOM 1008 CE2 TYR A 66 9.069 23.977 -19.368 1.00 0.00 C ATOM 1009 CZ TYR A 66 8.859 22.691 -19.907 1.00 0.00 C ATOM 1010 OH TYR A 66 8.941 22.483 -21.244 1.00 0.00 O ATOM 0 H TYR A 66 6.875 25.086 -16.332 1.00 0.00 H new ATOM 0 HA TYR A 66 6.606 22.413 -15.184 1.00 0.00 H new ATOM 0 HB2 TYR A 66 8.980 24.288 -15.381 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.015 22.558 -15.102 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.254 20.989 -17.002 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.111 25.175 -17.568 1.00 0.00 H new ATOM 0 HE1 TYR A 66 8.483 20.614 -19.448 1.00 0.00 H new ATOM 0 HE2 TYR A 66 9.317 24.801 -20.020 1.00 0.00 H new ATOM 0 HH TYR A 66 9.128 23.332 -21.696 1.00 0.00 H new ATOM 1020 N VAL A 67 7.833 23.231 -12.744 1.00 0.00 N ATOM 1021 CA VAL A 67 8.064 23.806 -11.404 1.00 0.00 C ATOM 1022 C VAL A 67 9.031 24.990 -11.461 1.00 0.00 C ATOM 1023 O VAL A 67 10.207 24.945 -11.123 1.00 0.00 O ATOM 1024 CB VAL A 67 8.421 22.815 -10.305 1.00 0.00 C ATOM 1025 CG1 VAL A 67 7.222 21.897 -10.019 1.00 0.00 C ATOM 1026 CG2 VAL A 67 9.650 21.942 -10.589 1.00 0.00 C ATOM 0 H VAL A 67 8.338 22.365 -12.930 1.00 0.00 H new ATOM 0 HA VAL A 67 7.085 24.173 -11.097 1.00 0.00 H new ATOM 0 HB VAL A 67 8.676 23.431 -9.443 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.484 21.190 -9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.372 22.499 -9.698 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.958 21.350 -10.924 1.00 0.00 H new ATOM 0 HG21 VAL A 67 9.822 21.270 -9.748 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.479 21.356 -11.492 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.524 22.578 -10.729 1.00 0.00 H new ATOM 1036 N ASP A 68 8.445 26.083 -11.907 1.00 0.00 N ATOM 1037 CA ASP A 68 9.043 27.367 -12.245 1.00 0.00 C ATOM 1038 C ASP A 68 9.370 28.227 -11.007 1.00 0.00 C ATOM 1039 O ASP A 68 9.968 29.298 -11.100 1.00 0.00 O ATOM 1040 CB ASP A 68 8.034 28.111 -13.104 1.00 0.00 C ATOM 1041 CG ASP A 68 7.630 27.455 -14.440 1.00 0.00 C ATOM 1042 OD1 ASP A 68 8.386 26.649 -15.023 1.00 0.00 O ATOM 1043 OD2 ASP A 68 6.464 27.681 -14.832 1.00 0.00 O ATOM 0 H ASP A 68 7.436 26.099 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 68 9.987 27.186 -12.759 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.130 28.259 -12.513 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.438 29.100 -13.321 1.00 0.00 H new ATOM 1048 N THR A 69 8.914 27.814 -9.824 1.00 0.00 N ATOM 1049 CA THR A 69 9.194 28.512 -8.562 1.00 0.00 C ATOM 1050 C THR A 69 9.195 27.543 -7.393 1.00 0.00 C ATOM 1051 O THR A 69 8.566 26.487 -7.448 1.00 0.00 O ATOM 1052 CB THR A 69 8.169 29.624 -8.277 1.00 0.00 C ATOM 1053 OG1 THR A 69 7.512 30.072 -9.441 1.00 0.00 O ATOM 1054 CG2 THR A 69 8.806 30.859 -7.640 1.00 0.00 C ATOM 0 H THR A 69 8.336 26.981 -9.710 1.00 0.00 H new ATOM 0 HA THR A 69 10.180 28.962 -8.673 1.00 0.00 H new ATOM 0 HB THR A 69 7.459 29.160 -7.593 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.872 30.776 -9.205 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.039 31.612 -7.460 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.271 30.582 -6.694 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.563 31.265 -8.311 1.00 0.00 H new ATOM 1062 N GLU A 70 9.803 27.980 -6.290 1.00 0.00 N ATOM 1063 CA GLU A 70 9.803 27.315 -4.975 1.00 0.00 C ATOM 1064 C GLU A 70 8.386 26.900 -4.616 1.00 0.00 C ATOM 1065 O GLU A 70 8.051 25.727 -4.524 1.00 0.00 O ATOM 1066 CB GLU A 70 10.364 28.298 -3.922 1.00 0.00 C ATOM 1067 CG GLU A 70 11.106 27.644 -2.748 1.00 0.00 C ATOM 1068 CD GLU A 70 10.152 27.008 -1.728 1.00 0.00 C ATOM 1069 OE1 GLU A 70 9.621 27.737 -0.858 1.00 0.00 O ATOM 1070 OE2 GLU A 70 9.927 25.787 -1.803 1.00 0.00 O ATOM 0 H GLU A 70 10.337 28.849 -6.283 1.00 0.00 H new ATOM 0 HA GLU A 70 10.428 26.422 -5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 70 11.043 28.990 -4.420 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.539 28.890 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.784 26.881 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.720 28.393 -2.248 1.00 0.00 H new ATOM 1077 N SER A 71 7.512 27.900 -4.615 1.00 0.00 N ATOM 1078 CA SER A 71 6.097 27.738 -4.255 1.00 0.00 C ATOM 1079 C SER A 71 5.360 26.728 -5.140 1.00 0.00 C ATOM 1080 O SER A 71 4.434 26.048 -4.692 1.00 0.00 O ATOM 1081 CB SER A 71 5.401 29.095 -4.317 1.00 0.00 C ATOM 1082 OG SER A 71 4.399 29.171 -3.324 1.00 0.00 O ATOM 0 H SER A 71 7.762 28.857 -4.865 1.00 0.00 H new ATOM 0 HA SER A 71 6.066 27.339 -3.241 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.129 29.893 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.959 29.242 -5.303 1.00 0.00 H new ATOM 0 HG SER A 71 3.959 30.045 -3.370 1.00 0.00 H new ATOM 1088 N LYS A 72 5.810 26.586 -6.396 1.00 0.00 N ATOM 1089 CA LYS A 72 5.274 25.598 -7.331 1.00 0.00 C ATOM 1090 C LYS A 72 5.835 24.194 -7.116 1.00 0.00 C ATOM 1091 O LYS A 72 5.075 23.232 -7.141 1.00 0.00 O ATOM 1092 CB LYS A 72 5.395 26.047 -8.792 1.00 0.00 C ATOM 1093 CG LYS A 72 4.052 25.730 -9.477 1.00 0.00 C ATOM 1094 CD LYS A 72 4.108 25.755 -10.999 1.00 0.00 C ATOM 1095 CE LYS A 72 4.588 27.095 -11.561 1.00 0.00 C ATOM 1096 NZ LYS A 72 4.663 26.999 -13.028 1.00 0.00 N ATOM 0 H LYS A 72 6.558 27.157 -6.788 1.00 0.00 H new ATOM 0 HA LYS A 72 4.210 25.534 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.615 27.113 -8.850 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.213 25.525 -9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.715 24.745 -9.153 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.306 26.450 -9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.773 24.964 -11.345 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.117 25.535 -11.397 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.904 27.892 -11.270 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.565 27.348 -11.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.219 27.795 -13.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.120 26.104 -13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.703 27.030 -13.427 1.00 0.00 H new ATOM 1110 N PHE A 73 7.130 24.064 -6.833 1.00 0.00 N ATOM 1111 CA PHE A 73 7.711 22.781 -6.411 1.00 0.00 C ATOM 1112 C PHE A 73 7.095 22.306 -5.082 1.00 0.00 C ATOM 1113 O PHE A 73 6.640 21.174 -4.964 1.00 0.00 O ATOM 1114 CB PHE A 73 9.244 22.880 -6.341 1.00 0.00 C ATOM 1115 CG PHE A 73 9.923 21.594 -5.899 1.00 0.00 C ATOM 1116 CD1 PHE A 73 9.680 20.385 -6.583 1.00 0.00 C ATOM 1117 CD2 PHE A 73 10.770 21.593 -4.772 1.00 0.00 C ATOM 1118 CE1 PHE A 73 10.231 19.179 -6.110 1.00 0.00 C ATOM 1119 CE2 PHE A 73 11.329 20.389 -4.308 1.00 0.00 C ATOM 1120 CZ PHE A 73 11.035 19.180 -4.960 1.00 0.00 C ATOM 0 H PHE A 73 7.801 24.830 -6.887 1.00 0.00 H new ATOM 0 HA PHE A 73 7.469 22.025 -7.158 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.626 23.162 -7.322 1.00 0.00 H new ATOM 0 HB3 PHE A 73 9.516 23.679 -5.651 1.00 0.00 H new ATOM 0 HD1 PHE A 73 9.069 20.384 -7.473 1.00 0.00 H new ATOM 0 HD2 PHE A 73 10.990 22.520 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.035 18.254 -6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 73 11.985 20.394 -3.450 1.00 0.00 H new ATOM 0 HZ PHE A 73 11.428 18.250 -4.576 1.00 0.00 H new ATOM 1130 N ARG A 74 6.958 23.201 -4.104 1.00 0.00 N ATOM 1131 CA ARG A 74 6.430 22.971 -2.750 1.00 0.00 C ATOM 1132 C ARG A 74 4.985 22.474 -2.713 1.00 0.00 C ATOM 1133 O ARG A 74 4.611 21.762 -1.784 1.00 0.00 O ATOM 1134 CB ARG A 74 6.629 24.288 -1.985 1.00 0.00 C ATOM 1135 CG ARG A 74 6.616 24.166 -0.460 1.00 0.00 C ATOM 1136 CD ARG A 74 7.066 25.515 0.117 1.00 0.00 C ATOM 1137 NE ARG A 74 7.314 25.438 1.565 1.00 0.00 N ATOM 1138 CZ ARG A 74 8.335 25.977 2.212 1.00 0.00 C ATOM 1139 NH1 ARG A 74 9.258 26.691 1.636 1.00 0.00 N ATOM 1140 NH2 ARG A 74 8.440 25.799 3.498 1.00 0.00 N ATOM 0 H ARG A 74 7.230 24.174 -4.241 1.00 0.00 H new ATOM 0 HA ARG A 74 6.973 22.153 -2.277 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.579 24.726 -2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.846 24.985 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.617 23.911 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.283 23.368 -0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.974 25.842 -0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.302 26.267 -0.081 1.00 0.00 H new ATOM 0 HE ARG A 74 6.635 24.920 2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.218 26.861 0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.021 27.080 2.189 1.00 0.00 H new ATOM 0 HH21 ARG A 74 7.740 25.249 3.996 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.223 26.209 4.007 1.00 0.00 H new ATOM 1154 N LYS A 75 4.210 22.759 -3.764 1.00 0.00 N ATOM 1155 CA LYS A 75 2.919 22.158 -4.112 1.00 0.00 C ATOM 1156 C LYS A 75 3.017 20.636 -4.224 1.00 0.00 C ATOM 1157 O LYS A 75 2.244 19.910 -3.605 1.00 0.00 O ATOM 1158 CB LYS A 75 2.454 22.756 -5.456 1.00 0.00 C ATOM 1159 CG LYS A 75 0.940 22.680 -5.660 1.00 0.00 C ATOM 1160 CD LYS A 75 0.269 23.824 -4.900 1.00 0.00 C ATOM 1161 CE LYS A 75 -1.245 23.778 -5.129 1.00 0.00 C ATOM 1162 NZ LYS A 75 -1.919 24.921 -4.468 1.00 0.00 N ATOM 0 H LYS A 75 4.489 23.467 -4.443 1.00 0.00 H new ATOM 0 HA LYS A 75 2.201 22.379 -3.323 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.769 23.798 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.950 22.230 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.701 22.744 -6.722 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.561 21.721 -5.305 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.488 23.744 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.669 24.781 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.455 23.797 -6.198 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.646 22.842 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.943 24.866 -4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.736 24.887 -3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.551 25.813 -4.856 1.00 0.00 H new ATOM 1176 N LEU A 76 4.017 20.185 -4.977 1.00 0.00 N ATOM 1177 CA LEU A 76 4.328 18.776 -5.168 1.00 0.00 C ATOM 1178 C LEU A 76 4.862 18.175 -3.886 1.00 0.00 C ATOM 1179 O LEU A 76 4.315 17.190 -3.405 1.00 0.00 O ATOM 1180 CB LEU A 76 5.322 18.615 -6.338 1.00 0.00 C ATOM 1181 CG LEU A 76 5.520 17.175 -6.832 1.00 0.00 C ATOM 1182 CD1 LEU A 76 4.261 16.626 -7.498 1.00 0.00 C ATOM 1183 CD2 LEU A 76 6.648 17.127 -7.864 1.00 0.00 C ATOM 0 H LEU A 76 4.648 20.807 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 76 3.418 18.234 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.978 19.225 -7.173 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.289 19.013 -6.030 1.00 0.00 H new ATOM 0 HG LEU A 76 5.760 16.569 -5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.443 15.605 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.439 16.632 -6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.001 17.249 -8.354 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.782 16.102 -8.209 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.394 17.765 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.573 17.480 -7.409 1.00 0.00 H new ATOM 1195 N VAL A 77 5.865 18.808 -3.288 1.00 0.00 N ATOM 1196 CA VAL A 77 6.458 18.282 -2.048 1.00 0.00 C ATOM 1197 C VAL A 77 5.408 18.124 -0.959 1.00 0.00 C ATOM 1198 O VAL A 77 5.341 17.089 -0.298 1.00 0.00 O ATOM 1199 CB VAL A 77 7.635 19.143 -1.553 1.00 0.00 C ATOM 1200 CG1 VAL A 77 8.215 18.641 -0.224 1.00 0.00 C ATOM 1201 CG2 VAL A 77 8.769 19.166 -2.577 1.00 0.00 C ATOM 0 H VAL A 77 6.284 19.673 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 77 6.857 17.296 -2.284 1.00 0.00 H new ATOM 0 HB VAL A 77 7.226 20.143 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.041 19.284 0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.440 18.662 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.576 17.620 -0.347 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.586 19.781 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.127 18.151 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.403 19.583 -3.516 1.00 0.00 H new ATOM 1211 N THR A 78 4.504 19.092 -0.833 1.00 0.00 N ATOM 1212 CA THR A 78 3.417 19.004 0.136 1.00 0.00 C ATOM 1213 C THR A 78 2.425 17.910 -0.200 1.00 0.00 C ATOM 1214 O THR A 78 2.021 17.159 0.694 1.00 0.00 O ATOM 1215 CB THR A 78 2.704 20.352 0.324 1.00 0.00 C ATOM 1216 OG1 THR A 78 3.640 21.333 0.699 1.00 0.00 O ATOM 1217 CG2 THR A 78 1.650 20.332 1.429 1.00 0.00 C ATOM 0 H THR A 78 4.503 19.946 -1.390 1.00 0.00 H new ATOM 0 HA THR A 78 3.882 18.736 1.085 1.00 0.00 H new ATOM 0 HB THR A 78 2.221 20.564 -0.630 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.117 21.651 -0.096 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.186 21.315 1.507 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.888 19.589 1.192 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.122 20.077 2.378 1.00 0.00 H new ATOM 1225 N ALA A 79 2.060 17.783 -1.475 1.00 0.00 N ATOM 1226 CA ALA A 79 1.023 16.831 -1.852 1.00 0.00 C ATOM 1227 C ALA A 79 1.519 15.394 -1.821 1.00 0.00 C ATOM 1228 O ALA A 79 0.821 14.488 -1.368 1.00 0.00 O ATOM 1229 CB ALA A 79 0.451 17.214 -3.222 1.00 0.00 C ATOM 0 H ALA A 79 2.459 18.316 -2.248 1.00 0.00 H new ATOM 0 HA ALA A 79 0.223 16.882 -1.113 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.325 16.502 -3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.023 18.215 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.247 17.197 -3.966 1.00 0.00 H new ATOM 1235 N ILE A 80 2.776 15.203 -2.199 1.00 0.00 N ATOM 1236 CA ILE A 80 3.374 13.879 -2.308 1.00 0.00 C ATOM 1237 C ILE A 80 3.720 13.384 -0.908 1.00 0.00 C ATOM 1238 O ILE A 80 3.531 12.209 -0.622 1.00 0.00 O ATOM 1239 CB ILE A 80 4.557 13.911 -3.296 1.00 0.00 C ATOM 1240 CG1 ILE A 80 4.087 14.285 -4.725 1.00 0.00 C ATOM 1241 CG2 ILE A 80 5.310 12.575 -3.325 1.00 0.00 C ATOM 1242 CD1 ILE A 80 3.268 13.229 -5.480 1.00 0.00 C ATOM 0 H ILE A 80 3.411 15.964 -2.439 1.00 0.00 H new ATOM 0 HA ILE A 80 2.676 13.156 -2.729 1.00 0.00 H new ATOM 0 HB ILE A 80 5.243 14.680 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.491 15.195 -4.660 1.00 0.00 H new ATOM 0 HG13 ILE A 80 4.968 14.523 -5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.136 12.638 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.700 12.355 -2.331 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.630 11.780 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.001 13.612 -6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.860 12.321 -5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.360 13.004 -4.920 1.00 0.00 H new ATOM 1254 N LYS A 81 4.047 14.288 0.025 1.00 0.00 N ATOM 1255 CA LYS A 81 4.262 13.937 1.437 1.00 0.00 C ATOM 1256 C LYS A 81 2.979 13.423 2.073 1.00 0.00 C ATOM 1257 O LYS A 81 2.966 12.451 2.823 1.00 0.00 O ATOM 1258 CB LYS A 81 4.750 15.189 2.176 1.00 0.00 C ATOM 1259 CG LYS A 81 5.179 14.942 3.634 1.00 0.00 C ATOM 1260 CD LYS A 81 4.096 15.272 4.673 1.00 0.00 C ATOM 1261 CE LYS A 81 3.787 16.776 4.675 1.00 0.00 C ATOM 1262 NZ LYS A 81 2.800 17.137 5.720 1.00 0.00 N ATOM 0 H LYS A 81 4.170 15.280 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 81 5.005 13.143 1.504 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.592 15.613 1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.955 15.935 2.166 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.466 13.896 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.065 15.540 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.189 14.710 4.452 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.429 14.963 5.664 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.708 17.335 4.837 1.00 0.00 H new ATOM 0 HE3 LYS A 81 3.404 17.069 3.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.619 18.161 5.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.912 16.623 5.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.176 16.881 6.655 1.00 0.00 H new ATOM 1276 N ALA A 82 1.899 14.149 1.806 1.00 0.00 N ATOM 1277 CA ALA A 82 0.558 13.814 2.279 1.00 0.00 C ATOM 1278 C ALA A 82 0.076 12.473 1.702 1.00 0.00 C ATOM 1279 O ALA A 82 -0.362 11.606 2.456 1.00 0.00 O ATOM 1280 CB ALA A 82 -0.399 14.967 1.954 1.00 0.00 C ATOM 0 H ALA A 82 1.930 15.001 1.246 1.00 0.00 H new ATOM 0 HA ALA A 82 0.581 13.684 3.361 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.400 14.719 2.306 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.055 15.876 2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.423 15.127 0.876 1.00 0.00 H new ATOM 1286 N ALA A 83 0.208 12.284 0.386 1.00 0.00 N ATOM 1287 CA ALA A 83 -0.133 11.041 -0.309 1.00 0.00 C ATOM 1288 C ALA A 83 0.707 9.839 0.141 1.00 0.00 C ATOM 1289 O ALA A 83 0.221 8.706 0.175 1.00 0.00 O ATOM 1290 CB ALA A 83 -0.009 11.272 -1.820 1.00 0.00 C ATOM 0 H ALA A 83 0.563 13.008 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 83 -1.160 10.784 -0.050 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.260 10.353 -2.350 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.692 12.065 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.014 11.562 -2.061 1.00 0.00 H new ATOM 1296 N LEU A 84 1.948 10.103 0.547 1.00 0.00 N ATOM 1297 CA LEU A 84 2.830 9.086 1.108 1.00 0.00 C ATOM 1298 C LEU A 84 2.283 8.568 2.432 1.00 0.00 C ATOM 1299 O LEU A 84 2.021 7.376 2.567 1.00 0.00 O ATOM 1300 CB LEU A 84 4.250 9.663 1.246 1.00 0.00 C ATOM 1301 CG LEU A 84 5.379 8.642 1.352 1.00 0.00 C ATOM 1302 CD1 LEU A 84 5.446 7.959 2.717 1.00 0.00 C ATOM 1303 CD2 LEU A 84 5.262 7.635 0.203 1.00 0.00 C ATOM 0 H LEU A 84 2.369 11.031 0.495 1.00 0.00 H new ATOM 0 HA LEU A 84 2.878 8.229 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.446 10.304 0.386 1.00 0.00 H new ATOM 0 HB3 LEU A 84 4.278 10.299 2.131 1.00 0.00 H new ATOM 0 HG LEU A 84 6.325 9.175 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.270 7.245 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.607 8.709 3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.509 7.435 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.067 6.904 0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.301 7.124 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.334 8.160 -0.750 1.00 0.00 H new ATOM 1315 N ALA A 85 2.045 9.477 3.376 1.00 0.00 N ATOM 1316 CA ALA A 85 1.509 9.147 4.699 1.00 0.00 C ATOM 1317 C ALA A 85 0.098 8.518 4.699 1.00 0.00 C ATOM 1318 O ALA A 85 -0.321 7.964 5.712 1.00 0.00 O ATOM 1319 CB ALA A 85 1.566 10.411 5.566 1.00 0.00 C ATOM 0 H ALA A 85 2.220 10.473 3.244 1.00 0.00 H new ATOM 0 HA ALA A 85 2.136 8.358 5.114 1.00 0.00 H new ATOM 0 HB1 ALA A 85 1.171 10.190 6.558 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.600 10.746 5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.968 11.196 5.104 1.00 0.00 H new ATOM 1325 N GLN A 86 -0.610 8.547 3.568 1.00 0.00 N ATOM 1326 CA GLN A 86 -1.835 7.777 3.323 1.00 0.00 C ATOM 1327 C GLN A 86 -1.493 6.329 2.960 1.00 0.00 C ATOM 1328 O GLN A 86 -1.878 5.375 3.635 1.00 0.00 O ATOM 1329 CB GLN A 86 -2.670 8.438 2.209 1.00 0.00 C ATOM 1330 CG GLN A 86 -3.294 9.788 2.606 1.00 0.00 C ATOM 1331 CD GLN A 86 -4.473 9.676 3.570 1.00 0.00 C ATOM 1332 OE1 GLN A 86 -5.008 8.622 3.857 1.00 0.00 O ATOM 1333 NE2 GLN A 86 -4.954 10.781 4.099 1.00 0.00 N ATOM 0 H GLN A 86 -0.340 9.124 2.772 1.00 0.00 H new ATOM 0 HA GLN A 86 -2.430 7.768 4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -2.036 8.586 1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -3.466 7.755 1.913 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -2.524 10.410 3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -3.625 10.301 1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.527 11.680 3.878 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.754 10.738 4.730 1.00 0.00 H new ATOM 1342 N CYS A 87 -0.729 6.167 1.883 1.00 0.00 N ATOM 1343 CA CYS A 87 -0.333 4.862 1.343 1.00 0.00 C ATOM 1344 C CYS A 87 0.579 4.042 2.269 1.00 0.00 C ATOM 1345 O CYS A 87 0.592 2.811 2.181 1.00 0.00 O ATOM 1346 CB CYS A 87 0.332 5.054 -0.025 1.00 0.00 C ATOM 1347 SG CYS A 87 -0.298 3.768 -1.145 1.00 0.00 S ATOM 0 H CYS A 87 -0.359 6.952 1.348 1.00 0.00 H new ATOM 0 HA CYS A 87 -1.249 4.279 1.248 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.110 6.045 -0.420 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.416 4.982 0.065 1.00 0.00 H new ATOM 0 HG CYS A 87 -0.327 2.627 -0.523 1.00 0.00 H new ATOM 1353 N GLN A 88 1.303 4.703 3.181 1.00 0.00 N ATOM 1354 CA GLN A 88 2.105 4.018 4.200 1.00 0.00 C ATOM 1355 C GLN A 88 1.260 3.287 5.259 1.00 0.00 C ATOM 1356 O GLN A 88 1.759 2.357 5.889 1.00 0.00 O ATOM 1357 CB GLN A 88 3.068 5.003 4.885 1.00 0.00 C ATOM 1358 CG GLN A 88 4.331 4.291 5.412 1.00 0.00 C ATOM 1359 CD GLN A 88 4.840 4.843 6.743 1.00 0.00 C ATOM 1360 OE1 GLN A 88 4.773 6.022 7.042 1.00 0.00 O ATOM 1361 NE2 GLN A 88 5.390 4.010 7.601 1.00 0.00 N ATOM 0 H GLN A 88 1.349 5.721 3.233 1.00 0.00 H new ATOM 0 HA GLN A 88 2.673 3.253 3.670 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.357 5.781 4.178 1.00 0.00 H new ATOM 0 HB3 GLN A 88 2.557 5.497 5.711 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.116 3.229 5.528 1.00 0.00 H new ATOM 0 HG3 GLN A 88 5.122 4.377 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 88 5.459 3.018 7.376 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.747 4.357 8.491 1.00 0.00 H new TER 1370 GLN A 88