USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 536 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 3 LYS NZ :NH3+ -162:sc= -0.0684 (180deg=-0.395) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.86) USER MOD Single : A 5 SER OG : rot -110:sc= 0.00981 USER MOD Single : A 12 SER OG : rot 82:sc= 0.509 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 19:sc= 0.261 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.024) USER MOD Single : A 30 HIS : no HD1:sc= -0.572 X(o=-0.57,f=-0.36) USER MOD Single : A 32 HIS : no HD1:sc= -0.427 X(o=-0.43,f=-0.72) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= -0.0247 (180deg=-0.135) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= -0.0647 (180deg=-0.36) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -1.98! (180deg=-3.13!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.712! C(o=-0.71!,f=-7.5!) USER MOD Single : A 53 TYR OH : rot 0:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -64:sc= 0.83 USER MOD Single : A 61 SER OG : rot 41:sc= 1.23 USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= -0.0167 (180deg=-0.187) USER MOD Single : A 66 LYS NZ :NH3+ -173:sc= 2.41 (180deg=2.31) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 -14.828 -3.040 1.545 1.00 0.00 N ATOM 2 CA LYS A 3 -14.442 -4.440 1.534 1.00 0.00 C ATOM 3 C LYS A 3 -13.060 -4.630 2.148 1.00 0.00 C ATOM 4 O LYS A 3 -12.052 -4.587 1.441 1.00 0.00 O ATOM 5 CB LYS A 3 -14.470 -4.977 0.099 1.00 0.00 C ATOM 6 CG LYS A 3 -14.175 -6.465 -0.012 1.00 0.00 C ATOM 7 CD LYS A 3 -15.193 -7.296 0.748 1.00 0.00 C ATOM 8 CE LYS A 3 -14.949 -8.781 0.552 1.00 0.00 C ATOM 9 NZ LYS A 3 -15.045 -9.177 -0.878 1.00 0.00 N ATOM 0 HA LYS A 3 -15.156 -5.001 2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.451 -4.779 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -13.742 -4.427 -0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -14.175 -6.759 -1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -13.177 -6.668 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -15.143 -7.054 1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -16.198 -7.043 0.410 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -13.962 -9.040 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.675 -9.348 1.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.178 -10.206 -0.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.854 -8.694 -1.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.170 -8.908 -1.372 1.00 0.00 H new ATOM 23 N LYS A 4 -13.028 -4.803 3.474 1.00 0.00 N ATOM 24 CA LYS A 4 -11.799 -5.130 4.204 1.00 0.00 C ATOM 25 C LYS A 4 -10.780 -3.997 4.101 1.00 0.00 C ATOM 26 O LYS A 4 -9.595 -4.152 4.403 1.00 0.00 O ATOM 27 CB LYS A 4 -11.240 -6.463 3.672 1.00 0.00 C ATOM 28 CG LYS A 4 -10.030 -7.007 4.414 1.00 0.00 C ATOM 29 CD LYS A 4 -9.560 -8.319 3.803 1.00 0.00 C ATOM 30 CE LYS A 4 -8.240 -8.777 4.400 1.00 0.00 C ATOM 31 NZ LYS A 4 -7.141 -7.812 4.130 1.00 0.00 N ATOM 0 H LYS A 4 -13.852 -4.720 4.070 1.00 0.00 H new ATOM 0 HA LYS A 4 -12.023 -5.246 5.265 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.033 -7.210 3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.973 -6.332 2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.221 -6.277 4.383 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.281 -7.160 5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.317 -9.087 3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.450 -8.199 2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.354 -8.905 5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.975 -9.752 3.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.226 -8.260 4.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -7.167 -7.527 3.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -7.260 -6.973 4.732 1.00 0.00 H new ATOM 45 N SER A 5 -11.282 -2.839 3.745 1.00 0.00 N ATOM 46 CA SER A 5 -10.458 -1.705 3.411 1.00 0.00 C ATOM 47 C SER A 5 -9.918 -1.009 4.661 1.00 0.00 C ATOM 48 O SER A 5 -10.597 -0.927 5.686 1.00 0.00 O ATOM 49 CB SER A 5 -11.311 -0.776 2.570 1.00 0.00 C ATOM 50 OG SER A 5 -12.479 -0.383 3.272 1.00 0.00 O ATOM 0 H SER A 5 -12.283 -2.657 3.679 1.00 0.00 H new ATOM 0 HA SER A 5 -9.577 -2.022 2.853 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.733 0.107 2.296 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.591 -1.274 1.642 1.00 0.00 H new ATOM 0 HG SER A 5 -13.264 -0.801 2.861 1.00 0.00 H new ATOM 56 N ARG A 6 -8.693 -0.514 4.562 1.00 0.00 N ATOM 57 CA ARG A 6 -7.997 0.081 5.695 1.00 0.00 C ATOM 58 C ARG A 6 -7.291 1.367 5.289 1.00 0.00 C ATOM 59 O ARG A 6 -7.347 1.773 4.135 1.00 0.00 O ATOM 60 CB ARG A 6 -6.990 -0.914 6.256 1.00 0.00 C ATOM 61 CG ARG A 6 -6.083 -1.513 5.199 1.00 0.00 C ATOM 62 CD ARG A 6 -5.805 -2.976 5.493 1.00 0.00 C ATOM 63 NE ARG A 6 -7.042 -3.731 5.694 1.00 0.00 N ATOM 64 CZ ARG A 6 -7.269 -4.523 6.739 1.00 0.00 C ATOM 65 NH1 ARG A 6 -6.312 -4.743 7.633 1.00 0.00 N ATOM 66 NH2 ARG A 6 -8.447 -5.112 6.879 1.00 0.00 N ATOM 0 H ARG A 6 -8.154 -0.513 3.696 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.731 0.327 6.462 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.379 -0.416 7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.527 -1.717 6.761 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.548 -1.417 4.218 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -5.144 -0.960 5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.242 -3.413 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.181 -3.056 6.383 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.775 -3.645 4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.398 -4.304 7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -6.491 -5.351 8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.180 -4.958 6.186 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -8.622 -5.719 7.680 1.00 0.00 H new ATOM 80 N LEU A 7 -6.612 1.982 6.241 1.00 0.00 N ATOM 81 CA LEU A 7 -6.025 3.301 6.044 1.00 0.00 C ATOM 82 C LEU A 7 -4.573 3.177 5.577 1.00 0.00 C ATOM 83 O LEU A 7 -3.717 2.673 6.305 1.00 0.00 O ATOM 84 CB LEU A 7 -6.121 4.103 7.356 1.00 0.00 C ATOM 85 CG LEU A 7 -5.934 5.629 7.254 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.488 5.999 6.975 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.840 6.215 6.181 1.00 0.00 C ATOM 0 H LEU A 7 -6.451 1.587 7.167 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.576 3.832 5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.097 3.910 7.801 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.373 3.715 8.047 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.210 6.053 8.219 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.396 7.083 6.910 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.856 5.629 7.782 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.173 5.551 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.690 7.293 6.128 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.599 5.767 5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.880 6.005 6.429 1.00 0.00 H new ATOM 99 N TRP A 8 -4.319 3.630 4.356 1.00 0.00 N ATOM 100 CA TRP A 8 -2.979 3.626 3.781 1.00 0.00 C ATOM 101 C TRP A 8 -2.402 5.033 3.787 1.00 0.00 C ATOM 102 O TRP A 8 -3.148 6.007 3.677 1.00 0.00 O ATOM 103 CB TRP A 8 -3.017 3.109 2.343 1.00 0.00 C ATOM 104 CG TRP A 8 -3.487 1.696 2.226 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.767 1.249 2.343 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.680 0.550 1.956 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.808 -0.109 2.171 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.539 -0.564 1.931 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.316 0.357 1.735 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -3.074 -1.853 1.693 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.855 -0.922 1.498 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.732 -2.011 1.478 1.00 0.00 C ATOM 0 H TRP A 8 -5.035 4.010 3.737 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.351 2.970 4.384 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.671 3.750 1.753 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.019 3.188 1.911 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.625 1.874 2.542 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.647 -0.687 2.215 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.633 1.194 1.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.747 -2.698 1.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.199 -1.084 1.325 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.341 -3.000 1.288 1.00 0.00 H new ATOM 123 N VAL A 9 -1.084 5.129 3.912 1.00 0.00 N ATOM 124 CA VAL A 9 -0.394 6.417 3.921 1.00 0.00 C ATOM 125 C VAL A 9 0.865 6.337 3.057 1.00 0.00 C ATOM 126 O VAL A 9 1.466 5.271 2.918 1.00 0.00 O ATOM 127 CB VAL A 9 0.003 6.837 5.365 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.685 8.197 5.386 1.00 0.00 C ATOM 129 CG2 VAL A 9 -1.205 6.848 6.289 1.00 0.00 C ATOM 0 H VAL A 9 -0.465 4.324 4.009 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.077 7.165 3.519 1.00 0.00 H new ATOM 0 HB VAL A 9 0.712 6.093 5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.948 8.457 6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.589 8.160 4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.008 8.950 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.894 7.146 7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.944 7.556 5.913 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.644 5.851 6.326 1.00 0.00 H new ATOM 139 N ASP A 10 1.253 7.458 2.461 1.00 0.00 N ATOM 140 CA ASP A 10 2.456 7.493 1.644 1.00 0.00 C ATOM 141 C ASP A 10 3.636 8.011 2.464 1.00 0.00 C ATOM 142 O ASP A 10 3.459 8.437 3.607 1.00 0.00 O ATOM 143 CB ASP A 10 2.250 8.351 0.384 1.00 0.00 C ATOM 144 CG ASP A 10 2.758 9.772 0.527 1.00 0.00 C ATOM 145 OD1 ASP A 10 2.094 10.588 1.194 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.829 10.079 -0.048 1.00 0.00 O ATOM 0 H ASP A 10 0.756 8.346 2.528 1.00 0.00 H new ATOM 0 HA ASP A 10 2.675 6.476 1.319 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.757 7.876 -0.456 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.188 8.377 0.142 1.00 0.00 H new ATOM 151 N ARG A 11 4.826 7.986 1.890 1.00 0.00 N ATOM 152 CA ARG A 11 6.031 8.350 2.622 1.00 0.00 C ATOM 153 C ARG A 11 6.020 9.838 2.985 1.00 0.00 C ATOM 154 O ARG A 11 6.491 10.228 4.054 1.00 0.00 O ATOM 155 CB ARG A 11 7.268 8.003 1.784 1.00 0.00 C ATOM 156 CG ARG A 11 8.490 7.614 2.604 1.00 0.00 C ATOM 157 CD ARG A 11 9.102 8.796 3.338 1.00 0.00 C ATOM 158 NE ARG A 11 9.546 9.843 2.420 1.00 0.00 N ATOM 159 CZ ARG A 11 10.025 11.019 2.817 1.00 0.00 C ATOM 160 NH1 ARG A 11 10.136 11.294 4.110 1.00 0.00 N ATOM 161 NH2 ARG A 11 10.395 11.918 1.918 1.00 0.00 N ATOM 0 H ARG A 11 4.986 7.718 0.919 1.00 0.00 H new ATOM 0 HA ARG A 11 6.063 7.783 3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.019 7.181 1.112 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.521 8.860 1.159 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.209 6.848 3.327 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.239 7.172 1.946 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.370 9.209 4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.948 8.454 3.933 1.00 0.00 H new ATOM 0 HE ARG A 11 9.485 9.662 1.418 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.854 10.602 4.805 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.504 12.197 4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.313 11.708 0.923 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.762 12.820 2.220 1.00 0.00 H new ATOM 175 N SER A 12 5.452 10.660 2.111 1.00 0.00 N ATOM 176 CA SER A 12 5.461 12.105 2.303 1.00 0.00 C ATOM 177 C SER A 12 4.452 12.525 3.371 1.00 0.00 C ATOM 178 O SER A 12 4.577 13.592 3.974 1.00 0.00 O ATOM 179 CB SER A 12 5.138 12.808 0.984 1.00 0.00 C ATOM 180 OG SER A 12 5.807 12.190 -0.103 1.00 0.00 O ATOM 0 H SER A 12 4.979 10.350 1.262 1.00 0.00 H new ATOM 0 HA SER A 12 6.457 12.396 2.638 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.062 12.787 0.812 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.431 13.856 1.046 1.00 0.00 H new ATOM 0 HG SER A 12 5.304 11.400 -0.390 1.00 0.00 H new ATOM 186 N GLY A 13 3.448 11.688 3.589 1.00 0.00 N ATOM 187 CA GLY A 13 2.421 11.992 4.565 1.00 0.00 C ATOM 188 C GLY A 13 1.236 12.686 3.931 1.00 0.00 C ATOM 189 O GLY A 13 0.273 13.049 4.612 1.00 0.00 O ATOM 0 H GLY A 13 3.326 10.799 3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.090 11.071 5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.838 12.626 5.347 1.00 0.00 H new ATOM 193 N THR A 14 1.305 12.858 2.617 1.00 0.00 N ATOM 194 CA THR A 14 0.264 13.539 1.868 1.00 0.00 C ATOM 195 C THR A 14 -0.889 12.582 1.599 1.00 0.00 C ATOM 196 O THR A 14 -2.061 12.947 1.698 1.00 0.00 O ATOM 197 CB THR A 14 0.806 14.067 0.524 1.00 0.00 C ATOM 198 OG1 THR A 14 2.065 14.726 0.727 1.00 0.00 O ATOM 199 CG2 THR A 14 -0.177 15.038 -0.115 1.00 0.00 C ATOM 0 H THR A 14 2.083 12.529 2.045 1.00 0.00 H new ATOM 0 HA THR A 14 -0.084 14.383 2.463 1.00 0.00 H new ATOM 0 HB THR A 14 0.941 13.217 -0.144 1.00 0.00 H new ATOM 0 HG1 THR A 14 2.403 15.057 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.228 15.396 -1.061 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.125 14.531 -0.295 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.339 15.884 0.553 1.00 0.00 H new ATOM 207 N PHE A 15 -0.538 11.350 1.275 1.00 0.00 N ATOM 208 CA PHE A 15 -1.520 10.330 0.963 1.00 0.00 C ATOM 209 C PHE A 15 -2.021 9.631 2.209 1.00 0.00 C ATOM 210 O PHE A 15 -1.234 9.145 3.018 1.00 0.00 O ATOM 211 CB PHE A 15 -0.925 9.286 0.027 1.00 0.00 C ATOM 212 CG PHE A 15 -1.153 9.565 -1.420 1.00 0.00 C ATOM 213 CD1 PHE A 15 -0.570 10.656 -2.031 1.00 0.00 C ATOM 214 CD2 PHE A 15 -1.961 8.729 -2.164 1.00 0.00 C ATOM 215 CE1 PHE A 15 -0.786 10.911 -3.370 1.00 0.00 C ATOM 216 CE2 PHE A 15 -2.184 8.974 -3.505 1.00 0.00 C ATOM 217 CZ PHE A 15 -1.595 10.068 -4.110 1.00 0.00 C ATOM 0 H PHE A 15 0.429 11.031 1.221 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.358 10.834 0.481 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.148 9.220 0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -1.350 8.312 0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.062 11.317 -1.456 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -2.424 7.874 -1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.324 11.767 -3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -2.817 8.313 -4.079 1.00 0.00 H new ATOM 0 HZ PHE A 15 -1.766 10.264 -5.158 1.00 0.00 H new ATOM 227 N LYS A 16 -3.332 9.601 2.353 1.00 0.00 N ATOM 228 CA LYS A 16 -3.981 8.737 3.316 1.00 0.00 C ATOM 229 C LYS A 16 -5.385 8.424 2.829 1.00 0.00 C ATOM 230 O LYS A 16 -6.147 9.324 2.479 1.00 0.00 O ATOM 231 CB LYS A 16 -3.987 9.367 4.715 1.00 0.00 C ATOM 232 CG LYS A 16 -4.492 10.802 4.763 1.00 0.00 C ATOM 233 CD LYS A 16 -3.813 11.593 5.875 1.00 0.00 C ATOM 234 CE LYS A 16 -3.922 10.893 7.221 1.00 0.00 C ATOM 235 NZ LYS A 16 -3.171 11.612 8.285 1.00 0.00 N ATOM 0 H LYS A 16 -3.975 10.174 1.806 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.423 7.805 3.402 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.606 8.756 5.371 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.974 9.339 5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.307 11.287 3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.571 10.805 4.919 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.762 11.739 5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.264 12.583 5.944 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.971 10.817 7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.541 9.876 7.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.271 11.102 9.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.165 11.663 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.551 12.575 8.388 1.00 0.00 H new ATOM 249 N VAL A 17 -5.713 7.144 2.795 1.00 0.00 N ATOM 250 CA VAL A 17 -6.976 6.692 2.215 1.00 0.00 C ATOM 251 C VAL A 17 -7.376 5.329 2.734 1.00 0.00 C ATOM 252 O VAL A 17 -6.539 4.547 3.174 1.00 0.00 O ATOM 253 CB VAL A 17 -6.927 6.603 0.670 1.00 0.00 C ATOM 254 CG1 VAL A 17 -7.566 7.827 0.037 1.00 0.00 C ATOM 255 CG2 VAL A 17 -5.500 6.412 0.167 1.00 0.00 C ATOM 0 H VAL A 17 -5.125 6.395 3.161 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.707 7.444 2.513 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.501 5.726 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.519 7.741 -1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.607 7.897 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.030 8.722 0.354 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.503 6.354 -0.921 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.887 7.256 0.484 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.089 5.490 0.579 1.00 0.00 H new ATOM 265 N ASP A 18 -8.667 5.063 2.667 1.00 0.00 N ATOM 266 CA ASP A 18 -9.218 3.765 3.009 1.00 0.00 C ATOM 267 C ASP A 18 -9.321 2.904 1.765 1.00 0.00 C ATOM 268 O ASP A 18 -10.017 3.249 0.808 1.00 0.00 O ATOM 269 CB ASP A 18 -10.592 3.915 3.665 1.00 0.00 C ATOM 270 CG ASP A 18 -11.381 5.086 3.102 1.00 0.00 C ATOM 271 OD1 ASP A 18 -11.867 4.999 1.956 1.00 0.00 O ATOM 272 OD2 ASP A 18 -11.507 6.109 3.809 1.00 0.00 O ATOM 0 H ASP A 18 -9.366 5.745 2.372 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.551 3.282 3.723 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.161 2.996 3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.465 4.049 4.739 1.00 0.00 H new ATOM 277 N ALA A 19 -8.612 1.789 1.781 1.00 0.00 N ATOM 278 CA ALA A 19 -8.566 0.895 0.640 1.00 0.00 C ATOM 279 C ALA A 19 -8.025 -0.467 1.048 1.00 0.00 C ATOM 280 O ALA A 19 -7.468 -0.625 2.133 1.00 0.00 O ATOM 281 CB ALA A 19 -7.702 1.494 -0.461 1.00 0.00 C ATOM 0 H ALA A 19 -8.057 1.480 2.579 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.580 0.765 0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.675 0.814 -1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.122 2.450 -0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.690 1.647 -0.086 1.00 0.00 H new ATOM 287 N GLU A 20 -8.225 -1.450 0.192 1.00 0.00 N ATOM 288 CA GLU A 20 -7.641 -2.762 0.387 1.00 0.00 C ATOM 289 C GLU A 20 -6.667 -3.047 -0.739 1.00 0.00 C ATOM 290 O GLU A 20 -6.946 -2.735 -1.898 1.00 0.00 O ATOM 291 CB GLU A 20 -8.722 -3.841 0.411 1.00 0.00 C ATOM 292 CG GLU A 20 -8.658 -4.740 1.634 1.00 0.00 C ATOM 293 CD GLU A 20 -7.329 -5.455 1.801 1.00 0.00 C ATOM 294 OE1 GLU A 20 -6.316 -4.785 2.097 1.00 0.00 O ATOM 295 OE2 GLU A 20 -7.296 -6.695 1.664 1.00 0.00 O ATOM 0 H GLU A 20 -8.792 -1.363 -0.651 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.121 -2.774 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.701 -3.363 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.631 -4.454 -0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.852 -4.141 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.454 -5.482 1.570 1.00 0.00 H new ATOM 302 N PHE A 21 -5.531 -3.624 -0.402 1.00 0.00 N ATOM 303 CA PHE A 21 -4.549 -3.984 -1.412 1.00 0.00 C ATOM 304 C PHE A 21 -5.028 -5.210 -2.171 1.00 0.00 C ATOM 305 O PHE A 21 -5.238 -6.280 -1.594 1.00 0.00 O ATOM 306 CB PHE A 21 -3.152 -4.198 -0.799 1.00 0.00 C ATOM 307 CG PHE A 21 -2.214 -5.021 -1.648 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.199 -6.402 -1.536 1.00 0.00 C ATOM 309 CD2 PHE A 21 -1.345 -4.423 -2.551 1.00 0.00 C ATOM 310 CE1 PHE A 21 -1.346 -7.166 -2.301 1.00 0.00 C ATOM 311 CE2 PHE A 21 -0.490 -5.186 -3.317 1.00 0.00 C ATOM 312 CZ PHE A 21 -0.491 -6.557 -3.193 1.00 0.00 C ATOM 0 H PHE A 21 -5.264 -3.853 0.555 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.450 -3.157 -2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.697 -3.225 -0.616 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.265 -4.684 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.866 -6.886 -0.838 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.339 -3.348 -2.654 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.347 -8.241 -2.202 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.181 -4.708 -4.015 1.00 0.00 H new ATOM 0 HZ PHE A 21 0.178 -7.155 -3.795 1.00 0.00 H new ATOM 322 N ILE A 22 -5.232 -5.029 -3.464 1.00 0.00 N ATOM 323 CA ILE A 22 -5.748 -6.090 -4.309 1.00 0.00 C ATOM 324 C ILE A 22 -4.602 -6.811 -5.003 1.00 0.00 C ATOM 325 O ILE A 22 -4.557 -8.040 -5.051 1.00 0.00 O ATOM 326 CB ILE A 22 -6.712 -5.544 -5.385 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.175 -4.125 -5.046 1.00 0.00 C ATOM 328 CG2 ILE A 22 -7.920 -6.457 -5.513 1.00 0.00 C ATOM 329 CD1 ILE A 22 -7.992 -3.473 -6.143 1.00 0.00 C ATOM 0 H ILE A 22 -5.047 -4.153 -3.953 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.295 -6.779 -3.665 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.174 -5.513 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.768 -4.154 -4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.301 -3.507 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.594 -6.064 -6.274 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.592 -7.456 -5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.441 -6.507 -4.557 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.285 -2.470 -5.832 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.395 -3.411 -7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.885 -4.068 -6.335 1.00 0.00 H new ATOM 341 N GLY A 23 -3.672 -6.035 -5.536 1.00 0.00 N ATOM 342 CA GLY A 23 -2.540 -6.603 -6.232 1.00 0.00 C ATOM 343 C GLY A 23 -1.502 -5.555 -6.563 1.00 0.00 C ATOM 344 O GLY A 23 -1.842 -4.410 -6.867 1.00 0.00 O ATOM 0 H GLY A 23 -3.682 -5.016 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.088 -7.381 -5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.880 -7.081 -7.151 1.00 0.00 H new ATOM 348 N CYS A 24 -0.238 -5.932 -6.480 1.00 0.00 N ATOM 349 CA CYS A 24 0.849 -5.024 -6.794 1.00 0.00 C ATOM 350 C CYS A 24 1.361 -5.334 -8.199 1.00 0.00 C ATOM 351 O CYS A 24 1.545 -6.501 -8.546 1.00 0.00 O ATOM 352 CB CYS A 24 1.963 -5.161 -5.744 1.00 0.00 C ATOM 353 SG CYS A 24 2.851 -6.737 -5.789 1.00 0.00 S ATOM 0 H CYS A 24 0.061 -6.865 -6.196 1.00 0.00 H new ATOM 0 HA CYS A 24 0.500 -3.992 -6.771 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.679 -4.351 -5.885 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.528 -5.032 -4.753 1.00 0.00 H new ATOM 0 HG CYS A 24 2.662 -7.309 -6.941 1.00 0.00 H new ATOM 359 N ALA A 25 1.565 -4.309 -9.019 1.00 0.00 N ATOM 360 CA ALA A 25 1.909 -4.533 -10.417 1.00 0.00 C ATOM 361 C ALA A 25 2.738 -3.391 -10.978 1.00 0.00 C ATOM 362 O ALA A 25 2.351 -2.230 -10.874 1.00 0.00 O ATOM 363 CB ALA A 25 0.642 -4.717 -11.243 1.00 0.00 C ATOM 0 H ALA A 25 1.499 -3.329 -8.745 1.00 0.00 H new ATOM 0 HA ALA A 25 2.512 -5.440 -10.472 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.909 -4.884 -12.287 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.085 -5.576 -10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.024 -3.823 -11.165 1.00 0.00 H new ATOM 369 N LYS A 26 3.883 -3.736 -11.560 1.00 0.00 N ATOM 370 CA LYS A 26 4.762 -2.765 -12.218 1.00 0.00 C ATOM 371 C LYS A 26 5.258 -1.719 -11.221 1.00 0.00 C ATOM 372 O LYS A 26 5.446 -0.550 -11.566 1.00 0.00 O ATOM 373 CB LYS A 26 4.048 -2.083 -13.402 1.00 0.00 C ATOM 374 CG LYS A 26 3.857 -2.976 -14.628 1.00 0.00 C ATOM 375 CD LYS A 26 2.930 -4.150 -14.345 1.00 0.00 C ATOM 376 CE LYS A 26 2.811 -5.081 -15.539 1.00 0.00 C ATOM 377 NZ LYS A 26 2.041 -4.474 -16.657 1.00 0.00 N ATOM 0 H LYS A 26 4.230 -4.695 -11.591 1.00 0.00 H new ATOM 0 HA LYS A 26 5.624 -3.307 -12.607 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.071 -1.733 -13.068 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.619 -1.202 -13.695 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.450 -2.383 -15.447 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.826 -3.351 -14.957 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.303 -4.708 -13.486 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.942 -3.776 -14.077 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.808 -5.346 -15.890 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.326 -6.006 -15.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 1.988 -5.148 -17.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.080 -4.244 -16.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.516 -3.605 -16.974 1.00 0.00 H new ATOM 391 N GLY A 27 5.465 -2.154 -9.982 1.00 0.00 N ATOM 392 CA GLY A 27 5.913 -1.254 -8.936 1.00 0.00 C ATOM 393 C GLY A 27 4.778 -0.416 -8.373 1.00 0.00 C ATOM 394 O GLY A 27 5.000 0.502 -7.585 1.00 0.00 O ATOM 0 H GLY A 27 5.329 -3.120 -9.683 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.368 -1.832 -8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.686 -0.596 -9.332 1.00 0.00 H new ATOM 398 N LYS A 28 3.560 -0.724 -8.789 1.00 0.00 N ATOM 399 CA LYS A 28 2.378 -0.042 -8.284 1.00 0.00 C ATOM 400 C LYS A 28 1.631 -0.930 -7.306 1.00 0.00 C ATOM 401 O LYS A 28 1.867 -2.134 -7.236 1.00 0.00 O ATOM 402 CB LYS A 28 1.426 0.312 -9.423 1.00 0.00 C ATOM 403 CG LYS A 28 1.941 1.355 -10.393 1.00 0.00 C ATOM 404 CD LYS A 28 1.928 2.742 -9.772 1.00 0.00 C ATOM 405 CE LYS A 28 1.947 3.845 -10.823 1.00 0.00 C ATOM 406 NZ LYS A 28 3.110 3.746 -11.745 1.00 0.00 N ATOM 0 H LYS A 28 3.363 -1.448 -9.480 1.00 0.00 H new ATOM 0 HA LYS A 28 2.714 0.868 -7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.197 -0.597 -9.979 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.489 0.668 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.956 1.101 -10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.327 1.352 -11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.040 2.851 -9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.792 2.853 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.025 3.803 -11.403 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.966 4.814 -10.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.128 4.576 -12.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 3.990 3.711 -11.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.027 2.882 -12.317 1.00 0.00 H new ATOM 420 N ILE A 29 0.722 -0.323 -6.575 1.00 0.00 N ATOM 421 CA ILE A 29 -0.161 -1.039 -5.685 1.00 0.00 C ATOM 422 C ILE A 29 -1.605 -0.692 -6.014 1.00 0.00 C ATOM 423 O ILE A 29 -2.014 0.466 -5.910 1.00 0.00 O ATOM 424 CB ILE A 29 0.140 -0.694 -4.213 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.497 -1.265 -3.808 1.00 0.00 C ATOM 426 CG2 ILE A 29 -0.953 -1.221 -3.299 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.946 -0.835 -2.432 1.00 0.00 C ATOM 0 H ILE A 29 0.575 0.686 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.000 -2.108 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 29 0.170 0.391 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.449 -2.353 -3.842 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.245 -0.956 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.718 -0.965 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.907 -0.772 -3.576 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.019 -2.304 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.917 -1.278 -2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.027 0.251 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.219 -1.168 -1.691 1.00 0.00 H new ATOM 439 N HIS A 30 -2.361 -1.688 -6.445 1.00 0.00 N ATOM 440 CA HIS A 30 -3.767 -1.486 -6.756 1.00 0.00 C ATOM 441 C HIS A 30 -4.567 -1.586 -5.473 1.00 0.00 C ATOM 442 O HIS A 30 -4.453 -2.569 -4.738 1.00 0.00 O ATOM 443 CB HIS A 30 -4.284 -2.516 -7.765 1.00 0.00 C ATOM 444 CG HIS A 30 -3.576 -2.500 -9.088 1.00 0.00 C ATOM 445 ND1 HIS A 30 -4.152 -2.952 -10.255 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.328 -2.092 -9.426 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.292 -2.826 -11.248 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.179 -2.306 -10.770 1.00 0.00 N ATOM 0 H HIS A 30 -2.027 -2.641 -6.587 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.881 -0.500 -7.207 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.191 -3.511 -7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.346 -2.340 -7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.588 -1.675 -8.759 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.470 -3.102 -12.277 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -1.342 -2.097 -11.314 1.00 0.00 H new ATOM 457 N LEU A 31 -5.367 -0.576 -5.210 1.00 0.00 N ATOM 458 CA LEU A 31 -6.116 -0.505 -3.969 1.00 0.00 C ATOM 459 C LEU A 31 -7.602 -0.345 -4.238 1.00 0.00 C ATOM 460 O LEU A 31 -8.014 0.393 -5.134 1.00 0.00 O ATOM 461 CB LEU A 31 -5.616 0.652 -3.099 1.00 0.00 C ATOM 462 CG LEU A 31 -4.177 0.520 -2.594 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.756 1.759 -1.823 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.033 -0.705 -1.714 1.00 0.00 C ATOM 0 H LEU A 31 -5.518 0.212 -5.840 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.959 -1.441 -3.434 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.699 1.576 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.278 0.749 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.527 0.413 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.730 1.640 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.820 2.631 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.416 1.896 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.004 -0.783 -1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.702 -0.618 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.290 -1.596 -2.286 1.00 0.00 H new ATOM 476 N HIS A 32 -8.396 -1.053 -3.461 1.00 0.00 N ATOM 477 CA HIS A 32 -9.842 -0.992 -3.574 1.00 0.00 C ATOM 478 C HIS A 32 -10.408 -0.170 -2.420 1.00 0.00 C ATOM 479 O HIS A 32 -10.447 -0.635 -1.281 1.00 0.00 O ATOM 480 CB HIS A 32 -10.418 -2.415 -3.584 1.00 0.00 C ATOM 481 CG HIS A 32 -11.892 -2.481 -3.838 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.797 -2.949 -2.911 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.614 -2.167 -4.939 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.010 -2.920 -3.431 1.00 0.00 C ATOM 485 NE2 HIS A 32 -13.927 -2.449 -4.661 1.00 0.00 N ATOM 0 H HIS A 32 -8.060 -1.686 -2.735 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.124 -0.506 -4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.903 -2.998 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.205 -2.888 -2.625 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.228 -1.768 -5.865 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -14.917 -3.230 -2.934 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.711 -2.316 -5.300 1.00 0.00 H new ATOM 494 N LYS A 33 -10.831 1.054 -2.729 1.00 0.00 N ATOM 495 CA LYS A 33 -11.272 2.021 -1.718 1.00 0.00 C ATOM 496 C LYS A 33 -12.477 1.505 -0.938 1.00 0.00 C ATOM 497 O LYS A 33 -13.179 0.594 -1.382 1.00 0.00 O ATOM 498 CB LYS A 33 -11.657 3.351 -2.382 1.00 0.00 C ATOM 499 CG LYS A 33 -10.585 3.949 -3.281 1.00 0.00 C ATOM 500 CD LYS A 33 -9.367 4.430 -2.506 1.00 0.00 C ATOM 501 CE LYS A 33 -9.703 5.548 -1.525 1.00 0.00 C ATOM 502 NZ LYS A 33 -10.351 6.724 -2.174 1.00 0.00 N ATOM 0 H LYS A 33 -10.879 1.406 -3.685 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.439 2.169 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.562 3.199 -2.971 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.902 4.073 -1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.273 3.204 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.009 4.785 -3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.933 3.592 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.610 4.781 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.365 5.157 -0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.789 5.873 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.431 7.500 -1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.775 7.036 -2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.299 6.458 -2.507 1.00 0.00 H new ATOM 516 N ALA A 34 -12.726 2.130 0.211 1.00 0.00 N ATOM 517 CA ALA A 34 -13.859 1.780 1.062 1.00 0.00 C ATOM 518 C ALA A 34 -15.183 2.149 0.400 1.00 0.00 C ATOM 519 O ALA A 34 -16.252 1.754 0.860 1.00 0.00 O ATOM 520 CB ALA A 34 -13.743 2.475 2.407 1.00 0.00 C ATOM 0 H ALA A 34 -12.151 2.889 0.576 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.842 0.701 1.213 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.595 2.205 3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.821 2.165 2.898 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.730 3.555 2.259 1.00 0.00 H new ATOM 526 N ASN A 35 -15.101 2.931 -0.667 1.00 0.00 N ATOM 527 CA ASN A 35 -16.281 3.289 -1.444 1.00 0.00 C ATOM 528 C ASN A 35 -16.521 2.260 -2.539 1.00 0.00 C ATOM 529 O ASN A 35 -17.591 2.217 -3.142 1.00 0.00 O ATOM 530 CB ASN A 35 -16.129 4.677 -2.073 1.00 0.00 C ATOM 531 CG ASN A 35 -15.977 5.781 -1.045 1.00 0.00 C ATOM 532 OD1 ASN A 35 -16.473 5.684 0.076 1.00 0.00 O ATOM 533 ND2 ASN A 35 -15.296 6.847 -1.428 1.00 0.00 N ATOM 0 H ASN A 35 -14.229 3.330 -1.015 1.00 0.00 H new ATOM 0 HA ASN A 35 -17.134 3.307 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.260 4.678 -2.730 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -17.000 4.885 -2.695 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -15.166 7.628 -0.785 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.900 6.889 -2.367 1.00 0.00 H new ATOM 540 N GLY A 36 -15.524 1.420 -2.783 1.00 0.00 N ATOM 541 CA GLY A 36 -15.625 0.437 -3.844 1.00 0.00 C ATOM 542 C GLY A 36 -14.902 0.869 -5.105 1.00 0.00 C ATOM 543 O GLY A 36 -14.930 0.168 -6.115 1.00 0.00 O ATOM 0 H GLY A 36 -14.646 1.402 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.211 -0.510 -3.498 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.676 0.261 -4.073 1.00 0.00 H new ATOM 547 N VAL A 37 -14.254 2.024 -5.044 1.00 0.00 N ATOM 548 CA VAL A 37 -13.520 2.555 -6.187 1.00 0.00 C ATOM 549 C VAL A 37 -12.124 1.933 -6.262 1.00 0.00 C ATOM 550 O VAL A 37 -11.537 1.588 -5.237 1.00 0.00 O ATOM 551 CB VAL A 37 -13.400 4.095 -6.099 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.738 4.672 -7.342 1.00 0.00 C ATOM 553 CG2 VAL A 37 -14.770 4.724 -5.883 1.00 0.00 C ATOM 0 H VAL A 37 -14.221 2.614 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 37 -14.075 2.299 -7.090 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.767 4.332 -5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -12.669 5.756 -7.248 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.738 4.253 -7.449 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -13.333 4.421 -8.221 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -14.668 5.808 -5.823 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.424 4.467 -6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -15.200 4.349 -4.955 1.00 0.00 H new ATOM 563 N LYS A 38 -11.608 1.774 -7.469 1.00 0.00 N ATOM 564 CA LYS A 38 -10.280 1.213 -7.665 1.00 0.00 C ATOM 565 C LYS A 38 -9.256 2.316 -7.917 1.00 0.00 C ATOM 566 O LYS A 38 -9.436 3.161 -8.794 1.00 0.00 O ATOM 567 CB LYS A 38 -10.306 0.217 -8.827 1.00 0.00 C ATOM 568 CG LYS A 38 -8.946 -0.070 -9.437 1.00 0.00 C ATOM 569 CD LYS A 38 -9.054 -1.096 -10.550 1.00 0.00 C ATOM 570 CE LYS A 38 -7.872 -1.019 -11.500 1.00 0.00 C ATOM 571 NZ LYS A 38 -7.881 0.236 -12.297 1.00 0.00 N ATOM 0 H LYS A 38 -12.090 2.026 -8.332 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.983 0.687 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.739 -0.720 -8.477 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.966 0.602 -9.605 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.517 0.852 -9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.267 -0.435 -8.666 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.110 -2.096 -10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.978 -0.935 -11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.944 -1.081 -10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -7.891 -1.876 -12.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.317 0.103 -13.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.859 0.475 -12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.474 1.009 -11.733 1.00 0.00 H new ATOM 585 N ILE A 39 -8.191 2.309 -7.126 1.00 0.00 N ATOM 586 CA ILE A 39 -7.106 3.265 -7.289 1.00 0.00 C ATOM 587 C ILE A 39 -5.781 2.526 -7.451 1.00 0.00 C ATOM 588 O ILE A 39 -5.704 1.313 -7.232 1.00 0.00 O ATOM 589 CB ILE A 39 -6.993 4.239 -6.085 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.480 3.505 -4.843 1.00 0.00 C ATOM 591 CG2 ILE A 39 -8.335 4.905 -5.792 1.00 0.00 C ATOM 592 CD1 ILE A 39 -6.088 4.429 -3.711 1.00 0.00 C ATOM 0 H ILE A 39 -8.056 1.648 -6.361 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.329 3.851 -8.180 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.277 5.017 -6.349 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.252 2.821 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.618 2.898 -5.120 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.228 5.582 -4.944 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.661 5.468 -6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.076 4.142 -5.555 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.735 3.839 -2.865 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.294 5.097 -4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.953 5.018 -3.406 1.00 0.00 H new ATOM 604 N ALA A 40 -4.748 3.253 -7.842 1.00 0.00 N ATOM 605 CA ALA A 40 -3.410 2.695 -7.938 1.00 0.00 C ATOM 606 C ALA A 40 -2.386 3.696 -7.436 1.00 0.00 C ATOM 607 O ALA A 40 -2.331 4.832 -7.909 1.00 0.00 O ATOM 608 CB ALA A 40 -3.085 2.298 -9.370 1.00 0.00 C ATOM 0 H ALA A 40 -4.812 4.238 -8.100 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.373 1.801 -7.316 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.078 1.883 -9.413 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.800 1.550 -9.711 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.144 3.176 -10.013 1.00 0.00 H new ATOM 614 N VAL A 41 -1.592 3.277 -6.469 1.00 0.00 N ATOM 615 CA VAL A 41 -0.512 4.101 -5.955 1.00 0.00 C ATOM 616 C VAL A 41 0.814 3.448 -6.293 1.00 0.00 C ATOM 617 O VAL A 41 0.851 2.280 -6.674 1.00 0.00 O ATOM 618 CB VAL A 41 -0.603 4.301 -4.428 1.00 0.00 C ATOM 619 CG1 VAL A 41 -1.949 4.893 -4.029 1.00 0.00 C ATOM 620 CG2 VAL A 41 -0.346 2.993 -3.707 1.00 0.00 C ATOM 0 H VAL A 41 -1.675 2.365 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.593 5.083 -6.422 1.00 0.00 H new ATOM 0 HB VAL A 41 0.168 5.012 -4.131 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.983 5.022 -2.947 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.079 5.860 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.749 4.221 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.414 3.151 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.089 2.257 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.650 2.629 -3.958 1.00 0.00 H new ATOM 630 N ALA A 42 1.893 4.192 -6.183 1.00 0.00 N ATOM 631 CA ALA A 42 3.208 3.627 -6.405 1.00 0.00 C ATOM 632 C ALA A 42 3.730 2.998 -5.127 1.00 0.00 C ATOM 633 O ALA A 42 3.761 3.640 -4.074 1.00 0.00 O ATOM 634 CB ALA A 42 4.171 4.679 -6.925 1.00 0.00 C ATOM 0 H ALA A 42 1.888 5.183 -5.943 1.00 0.00 H new ATOM 0 HA ALA A 42 3.126 2.850 -7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.151 4.229 -7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.799 5.079 -7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.256 5.486 -6.197 1.00 0.00 H new ATOM 640 N ALA A 43 4.150 1.744 -5.234 1.00 0.00 N ATOM 641 CA ALA A 43 4.628 0.974 -4.083 1.00 0.00 C ATOM 642 C ALA A 43 5.896 1.570 -3.470 1.00 0.00 C ATOM 643 O ALA A 43 6.369 1.107 -2.437 1.00 0.00 O ATOM 644 CB ALA A 43 4.882 -0.470 -4.488 1.00 0.00 C ATOM 0 H ALA A 43 4.171 1.230 -6.115 1.00 0.00 H new ATOM 0 HA ALA A 43 3.847 1.014 -3.324 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.237 -1.033 -3.625 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.956 -0.913 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.635 -0.500 -5.275 1.00 0.00 H new ATOM 650 N ASP A 44 6.443 2.591 -4.108 1.00 0.00 N ATOM 651 CA ASP A 44 7.705 3.172 -3.663 1.00 0.00 C ATOM 652 C ASP A 44 7.521 4.572 -3.084 1.00 0.00 C ATOM 653 O ASP A 44 8.409 5.087 -2.401 1.00 0.00 O ATOM 654 CB ASP A 44 8.725 3.210 -4.802 1.00 0.00 C ATOM 655 CG ASP A 44 8.242 3.977 -6.017 1.00 0.00 C ATOM 656 OD1 ASP A 44 8.313 5.224 -6.011 1.00 0.00 O ATOM 657 OD2 ASP A 44 7.807 3.332 -6.994 1.00 0.00 O ATOM 0 H ASP A 44 6.038 3.035 -4.932 1.00 0.00 H new ATOM 0 HA ASP A 44 8.083 2.528 -2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.648 3.663 -4.439 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.966 2.189 -5.098 1.00 0.00 H new ATOM 662 N LYS A 45 6.377 5.193 -3.341 1.00 0.00 N ATOM 663 CA LYS A 45 6.109 6.515 -2.782 1.00 0.00 C ATOM 664 C LYS A 45 5.291 6.361 -1.512 1.00 0.00 C ATOM 665 O LYS A 45 4.925 7.337 -0.860 1.00 0.00 O ATOM 666 CB LYS A 45 5.390 7.420 -3.800 1.00 0.00 C ATOM 667 CG LYS A 45 4.027 6.911 -4.270 1.00 0.00 C ATOM 668 CD LYS A 45 2.899 7.220 -3.285 1.00 0.00 C ATOM 669 CE LYS A 45 2.452 8.679 -3.345 1.00 0.00 C ATOM 670 NZ LYS A 45 3.454 9.619 -2.771 1.00 0.00 N ATOM 0 H LYS A 45 5.630 4.812 -3.922 1.00 0.00 H new ATOM 0 HA LYS A 45 7.056 6.998 -2.543 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.259 8.407 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.034 7.545 -4.671 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.791 7.359 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.082 5.833 -4.424 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.048 6.574 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.231 6.986 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.259 8.952 -4.383 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.510 8.787 -2.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.991 10.522 -2.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.860 9.208 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.212 9.785 -3.464 1.00 0.00 H new ATOM 684 N LEU A 46 5.019 5.113 -1.180 1.00 0.00 N ATOM 685 CA LEU A 46 4.178 4.769 -0.053 1.00 0.00 C ATOM 686 C LEU A 46 5.010 4.711 1.221 1.00 0.00 C ATOM 687 O LEU A 46 6.239 4.761 1.164 1.00 0.00 O ATOM 688 CB LEU A 46 3.538 3.417 -0.338 1.00 0.00 C ATOM 689 CG LEU A 46 2.094 3.252 0.123 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.221 4.385 -0.402 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.574 1.917 -0.365 1.00 0.00 C ATOM 0 H LEU A 46 5.379 4.306 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 46 3.404 5.523 0.088 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.579 3.237 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.141 2.644 0.138 1.00 0.00 H new ATOM 0 HG LEU A 46 2.060 3.286 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.196 4.244 -0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.599 5.338 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.242 4.385 -1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.541 1.788 -0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.619 1.885 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.186 1.115 0.047 1.00 0.00 H new ATOM 703 N SER A 47 4.349 4.625 2.365 1.00 0.00 N ATOM 704 CA SER A 47 5.053 4.537 3.629 1.00 0.00 C ATOM 705 C SER A 47 5.551 3.120 3.846 1.00 0.00 C ATOM 706 O SER A 47 4.862 2.139 3.560 1.00 0.00 O ATOM 707 CB SER A 47 4.157 4.975 4.791 1.00 0.00 C ATOM 708 OG SER A 47 4.870 4.966 6.019 1.00 0.00 O ATOM 0 H SER A 47 3.332 4.614 2.442 1.00 0.00 H new ATOM 0 HA SER A 47 5.908 5.213 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.771 5.976 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.297 4.309 4.862 1.00 0.00 H new ATOM 0 HG SER A 47 4.276 5.251 6.744 1.00 0.00 H new ATOM 714 N ASN A 48 6.777 3.044 4.343 1.00 0.00 N ATOM 715 CA ASN A 48 7.492 1.789 4.551 1.00 0.00 C ATOM 716 C ASN A 48 6.671 0.816 5.382 1.00 0.00 C ATOM 717 O ASN A 48 6.769 -0.399 5.205 1.00 0.00 O ATOM 718 CB ASN A 48 8.804 2.053 5.278 1.00 0.00 C ATOM 719 CG ASN A 48 9.678 3.118 4.623 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.193 4.042 3.970 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.981 3.000 4.801 1.00 0.00 N ATOM 0 H ASN A 48 7.314 3.866 4.619 1.00 0.00 H new ATOM 0 HA ASN A 48 7.679 1.351 3.570 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.585 2.358 6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.368 1.122 5.337 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.616 3.686 4.392 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.353 2.223 5.347 1.00 0.00 H new ATOM 728 N GLU A 49 5.881 1.363 6.300 1.00 0.00 N ATOM 729 CA GLU A 49 5.007 0.594 7.139 1.00 0.00 C ATOM 730 C GLU A 49 3.967 -0.120 6.292 1.00 0.00 C ATOM 731 O GLU A 49 3.744 -1.330 6.428 1.00 0.00 O ATOM 732 CB GLU A 49 4.342 1.558 8.105 1.00 0.00 C ATOM 733 CG GLU A 49 5.265 2.065 9.199 1.00 0.00 C ATOM 734 CD GLU A 49 5.558 1.007 10.239 1.00 0.00 C ATOM 735 OE1 GLU A 49 6.408 0.130 9.986 1.00 0.00 O ATOM 736 OE2 GLU A 49 4.929 1.044 11.318 1.00 0.00 O ATOM 0 H GLU A 49 5.839 2.367 6.474 1.00 0.00 H new ATOM 0 HA GLU A 49 5.564 -0.166 7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.956 2.410 7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.486 1.064 8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.201 2.403 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.811 2.930 9.682 1.00 0.00 H new ATOM 743 N ASP A 50 3.359 0.642 5.396 1.00 0.00 N ATOM 744 CA ASP A 50 2.390 0.138 4.479 1.00 0.00 C ATOM 745 C ASP A 50 2.996 -0.949 3.606 1.00 0.00 C ATOM 746 O ASP A 50 2.349 -1.962 3.349 1.00 0.00 O ATOM 747 CB ASP A 50 1.882 1.297 3.633 1.00 0.00 C ATOM 748 CG ASP A 50 1.188 2.364 4.460 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.875 3.053 5.239 1.00 0.00 O ATOM 750 OD2 ASP A 50 -0.044 2.519 4.337 1.00 0.00 O ATOM 0 H ASP A 50 3.539 1.641 5.297 1.00 0.00 H new ATOM 0 HA ASP A 50 1.558 -0.309 5.023 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.719 1.745 3.097 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.189 0.917 2.882 1.00 0.00 H new ATOM 755 N LEU A 51 4.257 -0.773 3.179 1.00 0.00 N ATOM 756 CA LEU A 51 4.894 -1.783 2.348 1.00 0.00 C ATOM 757 C LEU A 51 5.180 -3.029 3.166 1.00 0.00 C ATOM 758 O LEU A 51 4.998 -4.139 2.684 1.00 0.00 O ATOM 759 CB LEU A 51 6.191 -1.275 1.697 1.00 0.00 C ATOM 760 CG LEU A 51 6.022 -0.265 0.555 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.671 -0.425 -0.123 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.216 1.155 1.050 1.00 0.00 C ATOM 0 H LEU A 51 4.835 0.040 3.393 1.00 0.00 H new ATOM 0 HA LEU A 51 4.198 -2.022 1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.807 -0.818 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.743 -2.134 1.316 1.00 0.00 H new ATOM 0 HG LEU A 51 6.794 -0.470 -0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.579 0.304 -0.928 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.587 -1.431 -0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.877 -0.262 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.091 1.850 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.479 1.375 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.218 1.262 1.465 1.00 0.00 H new ATOM 774 N ALA A 52 5.595 -2.835 4.415 1.00 0.00 N ATOM 775 CA ALA A 52 5.866 -3.949 5.315 1.00 0.00 C ATOM 776 C ALA A 52 4.610 -4.778 5.516 1.00 0.00 C ATOM 777 O ALA A 52 4.665 -5.989 5.739 1.00 0.00 O ATOM 778 CB ALA A 52 6.384 -3.438 6.650 1.00 0.00 C ATOM 0 H ALA A 52 5.751 -1.915 4.826 1.00 0.00 H new ATOM 0 HA ALA A 52 6.633 -4.581 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.582 -4.282 7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.305 -2.877 6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.637 -2.788 7.105 1.00 0.00 H new ATOM 784 N TYR A 53 3.480 -4.103 5.435 1.00 0.00 N ATOM 785 CA TYR A 53 2.188 -4.747 5.538 1.00 0.00 C ATOM 786 C TYR A 53 1.844 -5.527 4.260 1.00 0.00 C ATOM 787 O TYR A 53 1.447 -6.691 4.318 1.00 0.00 O ATOM 788 CB TYR A 53 1.137 -3.683 5.837 1.00 0.00 C ATOM 789 CG TYR A 53 -0.272 -4.197 5.813 1.00 0.00 C ATOM 790 CD1 TYR A 53 -0.770 -4.972 6.849 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.104 -3.909 4.747 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.062 -5.449 6.819 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.394 -4.378 4.706 1.00 0.00 C ATOM 794 CZ TYR A 53 -2.872 -5.152 5.745 1.00 0.00 C ATOM 795 OH TYR A 53 -4.161 -5.632 5.715 1.00 0.00 O ATOM 0 H TYR A 53 3.433 -3.094 5.296 1.00 0.00 H new ATOM 0 HA TYR A 53 2.211 -5.475 6.349 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.339 -3.252 6.817 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.232 -2.878 5.109 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.136 -5.205 7.692 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.733 -3.305 3.932 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.438 -6.052 7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -3.031 -4.143 3.866 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.333 -6.158 6.524 1.00 0.00 H new ATOM 805 N VAL A 54 2.001 -4.909 3.101 1.00 0.00 N ATOM 806 CA VAL A 54 1.718 -5.606 1.852 1.00 0.00 C ATOM 807 C VAL A 54 2.694 -6.769 1.643 1.00 0.00 C ATOM 808 O VAL A 54 2.359 -7.768 0.996 1.00 0.00 O ATOM 809 CB VAL A 54 1.660 -4.644 0.641 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.571 -3.467 0.821 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.937 -5.355 -0.677 1.00 0.00 C ATOM 0 H VAL A 54 2.317 -3.945 2.996 1.00 0.00 H new ATOM 0 HA VAL A 54 0.719 -6.035 1.930 1.00 0.00 H new ATOM 0 HB VAL A 54 0.638 -4.269 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.501 -2.816 -0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.277 -2.913 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.598 -3.815 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.885 -4.637 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.931 -5.801 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.193 -6.137 -0.832 1.00 0.00 H new ATOM 821 N GLU A 55 3.884 -6.645 2.221 1.00 0.00 N ATOM 822 CA GLU A 55 4.794 -7.787 2.344 1.00 0.00 C ATOM 823 C GLU A 55 4.067 -8.979 2.973 1.00 0.00 C ATOM 824 O GLU A 55 4.187 -10.109 2.503 1.00 0.00 O ATOM 825 CB GLU A 55 6.019 -7.449 3.210 1.00 0.00 C ATOM 826 CG GLU A 55 6.882 -6.327 2.668 1.00 0.00 C ATOM 827 CD GLU A 55 8.211 -6.193 3.401 1.00 0.00 C ATOM 828 OE1 GLU A 55 9.196 -6.839 2.989 1.00 0.00 O ATOM 829 OE2 GLU A 55 8.281 -5.427 4.385 1.00 0.00 O ATOM 0 H GLU A 55 4.243 -5.773 2.610 1.00 0.00 H new ATOM 0 HA GLU A 55 5.132 -8.036 1.338 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.678 -7.178 4.209 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.632 -8.344 3.314 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.073 -6.502 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.336 -5.387 2.743 1.00 0.00 H new ATOM 836 N LYS A 56 3.282 -8.716 4.020 1.00 0.00 N ATOM 837 CA LYS A 56 2.570 -9.780 4.719 1.00 0.00 C ATOM 838 C LYS A 56 1.412 -10.283 3.862 1.00 0.00 C ATOM 839 O LYS A 56 1.047 -11.457 3.916 1.00 0.00 O ATOM 840 CB LYS A 56 2.082 -9.298 6.106 1.00 0.00 C ATOM 841 CG LYS A 56 0.661 -8.735 6.157 1.00 0.00 C ATOM 842 CD LYS A 56 -0.294 -9.660 6.898 1.00 0.00 C ATOM 843 CE LYS A 56 -1.035 -10.591 5.950 1.00 0.00 C ATOM 844 NZ LYS A 56 -1.762 -11.662 6.677 1.00 0.00 N ATOM 0 H LYS A 56 3.126 -7.782 4.398 1.00 0.00 H new ATOM 0 HA LYS A 56 3.255 -10.611 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.146 -10.134 6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.769 -8.531 6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.675 -7.761 6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.297 -8.577 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.264 -10.251 7.624 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -1.015 -9.064 7.458 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.742 -10.014 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.325 -11.041 5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -2.253 -12.274 5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.085 -12.230 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.458 -11.234 7.321 1.00 0.00 H new ATOM 858 N ILE A 57 0.837 -9.386 3.068 1.00 0.00 N ATOM 859 CA ILE A 57 -0.263 -9.749 2.177 1.00 0.00 C ATOM 860 C ILE A 57 0.195 -10.700 1.070 1.00 0.00 C ATOM 861 O ILE A 57 -0.482 -11.679 0.755 1.00 0.00 O ATOM 862 CB ILE A 57 -0.901 -8.511 1.515 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.232 -7.454 2.567 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.155 -8.911 0.743 1.00 0.00 C ATOM 865 CD1 ILE A 57 -1.777 -6.175 1.977 1.00 0.00 C ATOM 0 H ILE A 57 1.112 -8.405 3.022 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.002 -10.246 2.806 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.185 -8.083 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.961 -7.863 3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.333 -7.228 3.140 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.595 -8.027 0.281 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.891 -9.632 -0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.876 -9.360 1.427 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.991 -5.467 2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.040 -5.744 1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -2.694 -6.389 1.428 1.00 0.00 H new ATOM 877 N THR A 58 1.348 -10.423 0.492 1.00 0.00 N ATOM 878 CA THR A 58 1.788 -11.153 -0.695 1.00 0.00 C ATOM 879 C THR A 58 2.879 -12.175 -0.398 1.00 0.00 C ATOM 880 O THR A 58 2.812 -13.319 -0.846 1.00 0.00 O ATOM 881 CB THR A 58 2.307 -10.192 -1.777 1.00 0.00 C ATOM 882 OG1 THR A 58 3.244 -9.271 -1.203 1.00 0.00 O ATOM 883 CG2 THR A 58 1.166 -9.431 -2.422 1.00 0.00 C ATOM 0 H THR A 58 1.996 -9.706 0.817 1.00 0.00 H new ATOM 0 HA THR A 58 0.906 -11.685 -1.051 1.00 0.00 H new ATOM 0 HB THR A 58 2.803 -10.782 -2.548 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.786 -8.706 -0.546 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.562 -8.759 -3.183 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.474 -10.135 -2.884 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.641 -8.851 -1.663 1.00 0.00 H new ATOM 891 N GLY A 59 3.876 -11.758 0.360 1.00 0.00 N ATOM 892 CA GLY A 59 5.048 -12.580 0.556 1.00 0.00 C ATOM 893 C GLY A 59 6.266 -11.948 -0.081 1.00 0.00 C ATOM 894 O GLY A 59 7.399 -12.341 0.197 1.00 0.00 O ATOM 0 H GLY A 59 3.895 -10.861 0.845 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.223 -12.722 1.622 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.880 -13.568 0.127 1.00 0.00 H new ATOM 898 N PHE A 60 6.024 -10.959 -0.938 1.00 0.00 N ATOM 899 CA PHE A 60 7.102 -10.218 -1.578 1.00 0.00 C ATOM 900 C PHE A 60 7.642 -9.185 -0.612 1.00 0.00 C ATOM 901 O PHE A 60 6.873 -8.516 0.077 1.00 0.00 O ATOM 902 CB PHE A 60 6.618 -9.510 -2.847 1.00 0.00 C ATOM 903 CG PHE A 60 6.002 -10.417 -3.872 1.00 0.00 C ATOM 904 CD1 PHE A 60 6.719 -11.479 -4.400 1.00 0.00 C ATOM 905 CD2 PHE A 60 4.708 -10.196 -4.320 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.157 -12.304 -5.355 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.140 -11.020 -5.273 1.00 0.00 C ATOM 908 CZ PHE A 60 4.865 -12.075 -5.792 1.00 0.00 C ATOM 0 H PHE A 60 5.088 -10.654 -1.204 1.00 0.00 H new ATOM 0 HA PHE A 60 7.882 -10.927 -1.856 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.888 -8.750 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.461 -8.990 -3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 60 7.728 -11.664 -4.061 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.138 -9.371 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.726 -13.127 -5.760 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.130 -10.839 -5.612 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.424 -12.720 -6.538 1.00 0.00 H new ATOM 918 N SER A 61 8.949 -9.048 -0.561 1.00 0.00 N ATOM 919 CA SER A 61 9.559 -8.092 0.336 1.00 0.00 C ATOM 920 C SER A 61 9.704 -6.741 -0.353 1.00 0.00 C ATOM 921 O SER A 61 10.492 -6.588 -1.288 1.00 0.00 O ATOM 922 CB SER A 61 10.920 -8.593 0.815 1.00 0.00 C ATOM 923 OG SER A 61 11.434 -7.758 1.837 1.00 0.00 O ATOM 0 H SER A 61 9.607 -9.584 -1.127 1.00 0.00 H new ATOM 0 HA SER A 61 8.912 -7.975 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.826 -9.614 1.186 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.617 -8.621 -0.022 1.00 0.00 H new ATOM 0 HG SER A 61 10.712 -7.510 2.451 1.00 0.00 H new ATOM 929 N LEU A 62 8.949 -5.757 0.114 1.00 0.00 N ATOM 930 CA LEU A 62 8.988 -4.428 -0.476 1.00 0.00 C ATOM 931 C LEU A 62 10.014 -3.558 0.231 1.00 0.00 C ATOM 932 O LEU A 62 9.921 -2.335 0.213 1.00 0.00 O ATOM 933 CB LEU A 62 7.603 -3.766 -0.453 1.00 0.00 C ATOM 934 CG LEU A 62 6.491 -4.592 -1.110 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.229 -3.769 -1.241 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.930 -5.111 -2.474 1.00 0.00 C ATOM 0 H LEU A 62 8.304 -5.854 0.898 1.00 0.00 H new ATOM 0 HA LEU A 62 9.287 -4.534 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.327 -3.567 0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.667 -2.801 -0.957 1.00 0.00 H new ATOM 0 HG LEU A 62 6.284 -5.450 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.450 -4.370 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.898 -3.451 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.429 -2.892 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.123 -5.694 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.170 -4.269 -3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.811 -5.742 -2.357 1.00 0.00 H new ATOM 948 N GLU A 63 11.002 -4.209 0.837 1.00 0.00 N ATOM 949 CA GLU A 63 12.111 -3.542 1.466 1.00 0.00 C ATOM 950 C GLU A 63 12.781 -2.576 0.493 1.00 0.00 C ATOM 951 O GLU A 63 13.014 -1.413 0.814 1.00 0.00 O ATOM 952 CB GLU A 63 13.096 -4.608 1.921 1.00 0.00 C ATOM 953 CG GLU A 63 12.819 -5.174 3.304 1.00 0.00 C ATOM 954 CD GLU A 63 13.194 -4.217 4.416 1.00 0.00 C ATOM 955 OE1 GLU A 63 14.366 -4.238 4.855 1.00 0.00 O ATOM 956 OE2 GLU A 63 12.325 -3.441 4.854 1.00 0.00 O ATOM 0 H GLU A 63 11.045 -5.226 0.900 1.00 0.00 H new ATOM 0 HA GLU A 63 11.764 -2.958 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.086 -5.425 1.199 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.100 -4.185 1.910 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.760 -5.421 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.374 -6.104 3.429 1.00 0.00 H new ATOM 963 N LYS A 64 13.040 -3.061 -0.717 1.00 0.00 N ATOM 964 CA LYS A 64 13.717 -2.272 -1.740 1.00 0.00 C ATOM 965 C LYS A 64 12.795 -1.191 -2.318 1.00 0.00 C ATOM 966 O LYS A 64 13.212 -0.374 -3.140 1.00 0.00 O ATOM 967 CB LYS A 64 14.221 -3.193 -2.853 1.00 0.00 C ATOM 968 CG LYS A 64 13.115 -3.741 -3.734 1.00 0.00 C ATOM 969 CD LYS A 64 13.616 -4.867 -4.621 1.00 0.00 C ATOM 970 CE LYS A 64 12.731 -5.050 -5.840 1.00 0.00 C ATOM 971 NZ LYS A 64 12.912 -3.941 -6.817 1.00 0.00 N ATOM 0 H LYS A 64 12.789 -4.004 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 64 14.564 -1.767 -1.276 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.931 -2.645 -3.473 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.765 -4.025 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.298 -4.104 -3.110 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.712 -2.940 -4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.636 -4.654 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.647 -5.795 -4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.963 -6.001 -6.320 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.687 -5.096 -5.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.546 -4.233 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 12.394 -3.101 -6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.923 -3.713 -6.900 1.00 0.00 H new ATOM 985 N PHE A 65 11.534 -1.206 -1.901 1.00 0.00 N ATOM 986 CA PHE A 65 10.577 -0.187 -2.311 1.00 0.00 C ATOM 987 C PHE A 65 10.463 0.886 -1.239 1.00 0.00 C ATOM 988 O PHE A 65 9.970 1.986 -1.490 1.00 0.00 O ATOM 989 CB PHE A 65 9.198 -0.804 -2.565 1.00 0.00 C ATOM 990 CG PHE A 65 9.076 -1.535 -3.872 1.00 0.00 C ATOM 991 CD1 PHE A 65 9.460 -2.861 -3.989 1.00 0.00 C ATOM 992 CD2 PHE A 65 8.560 -0.891 -4.983 1.00 0.00 C ATOM 993 CE1 PHE A 65 9.332 -3.528 -5.195 1.00 0.00 C ATOM 994 CE2 PHE A 65 8.431 -1.550 -6.188 1.00 0.00 C ATOM 995 CZ PHE A 65 8.815 -2.870 -6.295 1.00 0.00 C ATOM 0 H PHE A 65 11.150 -1.916 -1.277 1.00 0.00 H new ATOM 0 HA PHE A 65 10.936 0.261 -3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.967 -1.494 -1.754 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.448 -0.013 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 65 9.863 -3.379 -3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.254 0.142 -4.906 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.636 -4.561 -5.276 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.030 -1.033 -7.047 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.712 -3.389 -7.237 1.00 0.00 H new ATOM 1005 N LYS A 66 10.948 0.561 -0.046 1.00 0.00 N ATOM 1006 CA LYS A 66 10.813 1.448 1.097 1.00 0.00 C ATOM 1007 C LYS A 66 11.742 2.647 0.966 1.00 0.00 C ATOM 1008 O LYS A 66 12.832 2.553 0.392 1.00 0.00 O ATOM 1009 CB LYS A 66 11.075 0.680 2.391 1.00 0.00 C ATOM 1010 CG LYS A 66 10.029 -0.391 2.652 1.00 0.00 C ATOM 1011 CD LYS A 66 10.348 -1.219 3.881 1.00 0.00 C ATOM 1012 CE LYS A 66 9.347 -2.350 4.046 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.733 -3.287 5.128 1.00 0.00 N ATOM 0 H LYS A 66 11.438 -0.311 0.152 1.00 0.00 H new ATOM 0 HA LYS A 66 9.792 1.828 1.127 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.061 0.217 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.092 1.379 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.054 0.079 2.777 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.958 -1.046 1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.355 -1.628 3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 66 10.334 -0.583 4.766 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.363 -1.933 4.262 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.262 -2.897 3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.089 -4.103 5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.708 -3.615 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.674 -2.801 6.046 1.00 0.00 H new ATOM 1027 N ALA A 67 11.299 3.773 1.500 1.00 0.00 N ATOM 1028 CA ALA A 67 11.971 5.040 1.272 1.00 0.00 C ATOM 1029 C ALA A 67 12.679 5.548 2.520 1.00 0.00 C ATOM 1030 O ALA A 67 12.448 5.061 3.629 1.00 0.00 O ATOM 1031 CB ALA A 67 10.965 6.065 0.790 1.00 0.00 C ATOM 0 H ALA A 67 10.474 3.835 2.096 1.00 0.00 H new ATOM 0 HA ALA A 67 12.735 4.881 0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.469 7.016 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.512 5.721 -0.140 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.189 6.196 1.544 1.00 0.00 H new ATOM 1037 N ASN A 68 13.527 6.544 2.320 1.00 0.00 N ATOM 1038 CA ASN A 68 14.290 7.148 3.399 1.00 0.00 C ATOM 1039 C ASN A 68 13.705 8.513 3.750 1.00 0.00 C ATOM 1040 O ASN A 68 13.984 9.487 3.016 1.00 0.00 O ATOM 1041 CB ASN A 68 15.753 7.299 2.979 1.00 0.00 C ATOM 1042 CG ASN A 68 16.663 7.685 4.128 1.00 0.00 C ATOM 1043 OD1 ASN A 68 16.835 8.866 4.437 1.00 0.00 O ATOM 1044 ND2 ASN A 68 17.273 6.689 4.749 1.00 0.00 N ATOM 1045 OXT ASN A 68 12.954 8.604 4.742 1.00 0.00 O ATOM 0 H ASN A 68 13.705 6.956 1.404 1.00 0.00 H new ATOM 0 HA ASN A 68 14.236 6.504 4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 68 16.100 6.360 2.548 1.00 0.00 H new ATOM 0 HB3 ASN A 68 15.824 8.055 2.197 1.00 0.00 H new ATOM 0 HD21 ASN A 68 17.915 6.884 5.517 1.00 0.00 H new ATOM 0 HD22 ASN A 68 17.101 5.726 4.460 1.00 0.00 H new TER 1052 ASN A 68