USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -170:sc=-0.00498 (180deg=-0.127) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 68:sc= 0.883 USER MOD Single : A 8 CYS SG : rot 78:sc= 0.936 USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= 0.986 (180deg=0.803) USER MOD Single : A 17 ASN : amide:sc= -0.0215 K(o=-0.022,f=-1.3!) USER MOD Single : A 32 THR OG1 : rot -0:sc= 0.315 USER MOD Single : A 35 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.071) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.299 USER MOD Single : A 48 SER OG : rot -23:sc= 0.738 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.534 K(o=0.53,f=-7.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -162:sc= -0.5 (180deg=-0.663) USER MOD Single : A 65 MET CE :methyl -165:sc= -0.035 (180deg=-0.332) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -15.893 0.555 3.939 1.00 0.00 N ATOM 2 CA SER A 1 -14.626 -0.073 3.587 1.00 0.00 C ATOM 3 C SER A 1 -13.446 0.725 4.128 1.00 0.00 C ATOM 4 O SER A 1 -12.466 0.155 4.606 1.00 0.00 O ATOM 5 CB SER A 1 -14.517 -0.223 2.082 1.00 0.00 C ATOM 6 OG SER A 1 -15.543 -1.019 1.556 1.00 0.00 O ATOM 0 H1 SER A 1 -16.676 -0.090 3.709 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.905 0.765 4.958 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.003 1.439 3.402 1.00 0.00 H new ATOM 0 HA SER A 1 -14.599 -1.062 4.045 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.548 0.762 1.617 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.552 -0.663 1.831 1.00 0.00 H new ATOM 0 HG SER A 1 -15.437 -1.089 0.584 1.00 0.00 H new ATOM 14 N GLU A 2 -13.548 2.047 4.049 1.00 0.00 N ATOM 15 CA GLU A 2 -12.458 2.925 4.459 1.00 0.00 C ATOM 16 C GLU A 2 -12.163 2.781 5.945 1.00 0.00 C ATOM 17 O GLU A 2 -11.025 2.956 6.382 1.00 0.00 O ATOM 18 CB GLU A 2 -12.790 4.383 4.128 1.00 0.00 C ATOM 19 CG GLU A 2 -12.782 4.707 2.640 1.00 0.00 C ATOM 20 CD GLU A 2 -13.282 6.102 2.382 1.00 0.00 C ATOM 21 OE1 GLU A 2 -13.679 6.752 3.319 1.00 0.00 O ATOM 22 OE2 GLU A 2 -13.160 6.559 1.270 1.00 0.00 O ATOM 0 H GLU A 2 -14.375 2.535 3.705 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.567 2.630 3.905 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.773 4.620 4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.072 5.030 4.632 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.770 4.603 2.248 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -13.406 3.990 2.106 1.00 0.00 H new ATOM 29 N GLU A 3 -13.194 2.460 6.720 1.00 0.00 N ATOM 30 CA GLU A 3 -13.040 2.259 8.155 1.00 0.00 C ATOM 31 C GLU A 3 -12.171 1.043 8.451 1.00 0.00 C ATOM 32 O GLU A 3 -11.409 1.033 9.418 1.00 0.00 O ATOM 33 CB GLU A 3 -14.408 2.102 8.824 1.00 0.00 C ATOM 34 CG GLU A 3 -15.237 3.378 8.868 1.00 0.00 C ATOM 35 CD GLU A 3 -16.605 3.121 9.434 1.00 0.00 C ATOM 36 OE1 GLU A 3 -16.910 1.987 9.711 1.00 0.00 O ATOM 37 OE2 GLU A 3 -17.305 4.071 9.696 1.00 0.00 O ATOM 0 H GLU A 3 -14.146 2.334 6.377 1.00 0.00 H new ATOM 0 HA GLU A 3 -12.545 3.140 8.563 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -14.972 1.335 8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -14.262 1.743 9.843 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.725 4.126 9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -15.328 3.790 7.863 1.00 0.00 H new ATOM 44 N GLU A 4 -12.290 0.019 7.613 1.00 0.00 N ATOM 45 CA GLU A 4 -11.457 -1.171 7.735 1.00 0.00 C ATOM 46 C GLU A 4 -10.061 -0.927 7.177 1.00 0.00 C ATOM 47 O GLU A 4 -9.077 -1.464 7.685 1.00 0.00 O ATOM 48 CB GLU A 4 -12.110 -2.357 7.019 1.00 0.00 C ATOM 49 CG GLU A 4 -13.399 -2.848 7.663 1.00 0.00 C ATOM 50 CD GLU A 4 -14.008 -3.973 6.875 1.00 0.00 C ATOM 51 OE1 GLU A 4 -13.460 -4.328 5.859 1.00 0.00 O ATOM 52 OE2 GLU A 4 -14.959 -4.554 7.344 1.00 0.00 O ATOM 0 H GLU A 4 -12.956 -0.011 6.841 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.363 -1.405 8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -12.319 -2.073 5.988 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.398 -3.182 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.196 -3.182 8.680 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.109 -2.024 7.734 1.00 0.00 H new ATOM 59 N LEU A 5 -9.983 -0.114 6.128 1.00 0.00 N ATOM 60 CA LEU A 5 -8.706 0.208 5.503 1.00 0.00 C ATOM 61 C LEU A 5 -7.877 1.130 6.388 1.00 0.00 C ATOM 62 O LEU A 5 -6.650 1.158 6.297 1.00 0.00 O ATOM 63 CB LEU A 5 -8.935 0.851 4.129 1.00 0.00 C ATOM 64 CG LEU A 5 -9.562 -0.070 3.075 1.00 0.00 C ATOM 65 CD1 LEU A 5 -9.807 0.703 1.786 1.00 0.00 C ATOM 66 CD2 LEU A 5 -8.644 -1.258 2.826 1.00 0.00 C ATOM 0 H LEU A 5 -10.790 0.334 5.693 1.00 0.00 H new ATOM 0 HA LEU A 5 -8.150 -0.720 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.577 1.722 4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -7.979 1.212 3.750 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.521 -0.439 3.439 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -10.252 0.041 1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.484 1.534 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -8.860 1.088 1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.090 -1.912 2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.678 -0.902 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.505 -1.812 3.755 1.00 0.00 H new ATOM 78 N SER A 6 -8.556 1.887 7.245 1.00 0.00 N ATOM 79 CA SER A 6 -7.882 2.678 8.267 1.00 0.00 C ATOM 80 C SER A 6 -7.098 1.790 9.225 1.00 0.00 C ATOM 81 O SER A 6 -5.995 2.136 9.647 1.00 0.00 O ATOM 82 CB SER A 6 -8.892 3.513 9.030 1.00 0.00 C ATOM 83 OG SER A 6 -9.483 4.493 8.221 1.00 0.00 O ATOM 0 H SER A 6 -9.573 1.969 7.251 1.00 0.00 H new ATOM 0 HA SER A 6 -7.174 3.341 7.770 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.667 2.863 9.436 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.401 3.991 9.878 1.00 0.00 H new ATOM 0 HG SER A 6 -10.043 4.062 7.542 1.00 0.00 H new ATOM 89 N GLU A 7 -7.673 0.641 9.564 1.00 0.00 N ATOM 90 CA GLU A 7 -7.005 -0.326 10.426 1.00 0.00 C ATOM 91 C GLU A 7 -5.869 -1.026 9.691 1.00 0.00 C ATOM 92 O GLU A 7 -4.802 -1.262 10.257 1.00 0.00 O ATOM 93 CB GLU A 7 -8.005 -1.357 10.951 1.00 0.00 C ATOM 94 CG GLU A 7 -9.029 -0.798 11.931 1.00 0.00 C ATOM 95 CD GLU A 7 -10.033 -1.844 12.328 1.00 0.00 C ATOM 96 OE1 GLU A 7 -9.963 -2.935 11.813 1.00 0.00 O ATOM 97 OE2 GLU A 7 -10.799 -1.592 13.227 1.00 0.00 O ATOM 0 H GLU A 7 -8.602 0.357 9.254 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.581 0.218 11.270 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.533 -1.797 10.105 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.456 -2.163 11.438 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.519 -0.425 12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.543 0.050 11.479 1.00 0.00 H new ATOM 104 N CYS A 8 -6.106 -1.358 8.426 1.00 0.00 N ATOM 105 CA CYS A 8 -5.080 -1.969 7.590 1.00 0.00 C ATOM 106 C CYS A 8 -3.878 -1.047 7.430 1.00 0.00 C ATOM 107 O CYS A 8 -2.732 -1.494 7.459 1.00 0.00 O ATOM 108 CB CYS A 8 -5.799 -2.152 6.253 1.00 0.00 C ATOM 109 SG CYS A 8 -7.126 -3.380 6.279 1.00 0.00 S ATOM 0 H CYS A 8 -7.000 -1.214 7.957 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.685 -2.896 8.006 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.214 -1.193 5.944 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.068 -2.441 5.498 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.178 -2.870 6.847 1.00 0.00 H new ATOM 115 N PHE A 9 -4.147 0.243 7.262 1.00 0.00 N ATOM 116 CA PHE A 9 -3.087 1.240 7.158 1.00 0.00 C ATOM 117 C PHE A 9 -2.218 1.254 8.409 1.00 0.00 C ATOM 118 O PHE A 9 -0.991 1.265 8.324 1.00 0.00 O ATOM 119 CB PHE A 9 -3.681 2.628 6.913 1.00 0.00 C ATOM 120 CG PHE A 9 -2.650 3.711 6.764 1.00 0.00 C ATOM 121 CD1 PHE A 9 -2.027 3.931 5.545 1.00 0.00 C ATOM 122 CD2 PHE A 9 -2.301 4.510 7.841 1.00 0.00 C ATOM 123 CE1 PHE A 9 -1.078 4.927 5.406 1.00 0.00 C ATOM 124 CE2 PHE A 9 -1.354 5.506 7.706 1.00 0.00 C ATOM 125 CZ PHE A 9 -0.741 5.715 6.486 1.00 0.00 C ATOM 0 H PHE A 9 -5.091 0.623 7.195 1.00 0.00 H new ATOM 0 HA PHE A 9 -2.457 0.970 6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.294 2.597 6.012 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.343 2.881 7.741 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.286 3.318 4.695 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.776 4.352 8.798 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.600 5.088 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.093 6.121 8.554 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.000 6.493 6.378 1.00 0.00 H new ATOM 135 N ARG A 10 -2.864 1.252 9.571 1.00 0.00 N ATOM 136 CA ARG A 10 -2.151 1.254 10.842 1.00 0.00 C ATOM 137 C ARG A 10 -1.312 -0.008 11.005 1.00 0.00 C ATOM 138 O ARG A 10 -0.225 0.028 11.581 1.00 0.00 O ATOM 139 CB ARG A 10 -3.087 1.457 12.024 1.00 0.00 C ATOM 140 CG ARG A 10 -3.678 2.853 12.140 1.00 0.00 C ATOM 141 CD ARG A 10 -4.661 3.012 13.241 1.00 0.00 C ATOM 142 NE ARG A 10 -5.228 4.348 13.354 1.00 0.00 N ATOM 143 CZ ARG A 10 -6.178 4.702 14.241 1.00 0.00 C ATOM 144 NH1 ARG A 10 -6.697 3.821 15.067 1.00 0.00 N ATOM 145 NH2 ARG A 10 -6.592 5.957 14.243 1.00 0.00 N ATOM 0 H ARG A 10 -3.880 1.249 9.658 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.472 2.107 10.828 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.903 0.738 11.950 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.544 1.231 12.942 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.867 3.567 12.287 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.162 3.109 11.197 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.471 2.298 13.094 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.177 2.755 14.183 1.00 0.00 H new ATOM 0 HE ARG A 10 -4.882 5.066 12.717 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.381 2.851 15.043 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.416 4.107 15.732 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.193 6.627 13.585 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.310 6.256 14.903 1.00 0.00 H new ATOM 159 N ILE A 11 -1.825 -1.123 10.495 1.00 0.00 N ATOM 160 CA ILE A 11 -1.100 -2.387 10.537 1.00 0.00 C ATOM 161 C ILE A 11 0.097 -2.367 9.596 1.00 0.00 C ATOM 162 O ILE A 11 1.198 -2.773 9.968 1.00 0.00 O ATOM 163 CB ILE A 11 -2.012 -3.572 10.167 1.00 0.00 C ATOM 164 CG1 ILE A 11 -3.074 -3.786 11.248 1.00 0.00 C ATOM 165 CG2 ILE A 11 -1.188 -4.836 9.969 1.00 0.00 C ATOM 166 CD1 ILE A 11 -4.189 -4.719 10.834 1.00 0.00 C ATOM 0 H ILE A 11 -2.740 -1.177 10.048 1.00 0.00 H new ATOM 0 HA ILE A 11 -0.750 -2.515 11.561 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.517 -3.341 9.229 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.594 -4.184 12.142 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.502 -2.821 11.519 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.848 -5.663 9.708 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.468 -4.679 9.166 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.657 -5.072 10.891 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.902 -4.820 11.653 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.697 -4.313 9.959 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.774 -5.697 10.592 1.00 0.00 H new ATOM 178 N PHE A 12 -0.123 -1.892 8.375 1.00 0.00 N ATOM 179 CA PHE A 12 0.875 -2.000 7.318 1.00 0.00 C ATOM 180 C PHE A 12 2.008 -1.003 7.527 1.00 0.00 C ATOM 181 O PHE A 12 3.143 -1.244 7.117 1.00 0.00 O ATOM 182 CB PHE A 12 0.230 -1.784 5.949 1.00 0.00 C ATOM 183 CG PHE A 12 -0.794 -2.823 5.590 1.00 0.00 C ATOM 184 CD1 PHE A 12 -0.800 -4.058 6.222 1.00 0.00 C ATOM 185 CD2 PHE A 12 -1.753 -2.569 4.621 1.00 0.00 C ATOM 186 CE1 PHE A 12 -1.741 -5.015 5.893 1.00 0.00 C ATOM 187 CE2 PHE A 12 -2.696 -3.523 4.291 1.00 0.00 C ATOM 188 CZ PHE A 12 -2.690 -4.748 4.929 1.00 0.00 C ATOM 0 H PHE A 12 -0.986 -1.427 8.093 1.00 0.00 H new ATOM 0 HA PHE A 12 1.295 -3.005 7.356 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.241 -0.801 5.931 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.010 -1.778 5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.061 -4.274 6.979 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.763 -1.613 4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.733 -5.973 6.391 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.437 -3.311 3.535 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.427 -5.495 4.673 1.00 0.00 H new ATOM 198 N ASP A 13 1.692 0.118 8.167 1.00 0.00 N ATOM 199 CA ASP A 13 2.707 1.089 8.557 1.00 0.00 C ATOM 200 C ASP A 13 3.465 0.626 9.795 1.00 0.00 C ATOM 201 O ASP A 13 3.117 0.986 10.919 1.00 0.00 O ATOM 202 CB ASP A 13 2.071 2.457 8.812 1.00 0.00 C ATOM 203 CG ASP A 13 3.070 3.578 9.067 1.00 0.00 C ATOM 204 OD1 ASP A 13 4.243 3.298 9.132 1.00 0.00 O ATOM 205 OD2 ASP A 13 2.673 4.718 9.040 1.00 0.00 O ATOM 0 H ASP A 13 0.740 0.376 8.427 1.00 0.00 H new ATOM 0 HA ASP A 13 3.417 1.177 7.735 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.456 2.724 7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.404 2.379 9.670 1.00 0.00 H new ATOM 210 N LYS A 14 4.504 -0.175 9.581 1.00 0.00 N ATOM 211 CA LYS A 14 5.171 -0.872 10.674 1.00 0.00 C ATOM 212 C LYS A 14 5.991 0.090 11.524 1.00 0.00 C ATOM 213 O LYS A 14 6.219 -0.153 12.709 1.00 0.00 O ATOM 214 CB LYS A 14 6.066 -1.987 10.131 1.00 0.00 C ATOM 215 CG LYS A 14 5.312 -3.144 9.491 1.00 0.00 C ATOM 216 CD LYS A 14 6.267 -4.145 8.857 1.00 0.00 C ATOM 217 CE LYS A 14 5.516 -5.324 8.254 1.00 0.00 C ATOM 218 NZ LYS A 14 6.420 -6.231 7.498 1.00 0.00 N ATOM 0 H LYS A 14 4.902 -0.357 8.660 1.00 0.00 H new ATOM 0 HA LYS A 14 4.400 -1.312 11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.748 -1.562 9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.678 -2.374 10.946 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.704 -3.645 10.244 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.629 -2.760 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.853 -3.651 8.082 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.970 -4.505 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.022 -5.884 9.048 1.00 0.00 H new ATOM 0 HE3 LYS A 14 4.734 -4.955 7.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 5.937 -7.135 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.673 -5.791 6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.283 -6.402 8.052 1.00 0.00 H new ATOM 232 N ASP A 15 6.431 1.184 10.911 1.00 0.00 N ATOM 233 CA ASP A 15 7.286 2.151 11.590 1.00 0.00 C ATOM 234 C ASP A 15 6.462 3.260 12.231 1.00 0.00 C ATOM 235 O ASP A 15 6.872 3.853 13.229 1.00 0.00 O ATOM 236 CB ASP A 15 8.302 2.747 10.613 1.00 0.00 C ATOM 237 CG ASP A 15 9.314 1.748 10.069 1.00 0.00 C ATOM 238 OD1 ASP A 15 9.946 1.084 10.856 1.00 0.00 O ATOM 239 OD2 ASP A 15 9.336 1.543 8.879 1.00 0.00 O ATOM 0 H ASP A 15 6.209 1.423 9.945 1.00 0.00 H new ATOM 0 HA ASP A 15 7.822 1.625 12.380 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.764 3.193 9.776 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.839 3.553 11.113 1.00 0.00 H new ATOM 244 N GLY A 16 5.299 3.536 11.652 1.00 0.00 N ATOM 245 CA GLY A 16 4.448 4.623 12.121 1.00 0.00 C ATOM 246 C GLY A 16 4.848 5.948 11.485 1.00 0.00 C ATOM 247 O GLY A 16 4.780 6.999 12.122 1.00 0.00 O ATOM 0 H GLY A 16 4.923 3.021 10.856 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.407 4.402 11.884 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.518 4.701 13.206 1.00 0.00 H new ATOM 251 N ASN A 17 5.264 5.892 10.224 1.00 0.00 N ATOM 252 CA ASN A 17 5.789 7.066 9.537 1.00 0.00 C ATOM 253 C ASN A 17 4.667 8.016 9.135 1.00 0.00 C ATOM 254 O ASN A 17 4.887 9.215 8.969 1.00 0.00 O ATOM 255 CB ASN A 17 6.608 6.678 8.320 1.00 0.00 C ATOM 256 CG ASN A 17 7.935 6.056 8.657 1.00 0.00 C ATOM 257 OD1 ASN A 17 8.475 6.253 9.753 1.00 0.00 O ATOM 258 ND2 ASN A 17 8.502 5.376 7.693 1.00 0.00 N ATOM 0 H ASN A 17 5.248 5.045 9.657 1.00 0.00 H new ATOM 0 HA ASN A 17 6.445 7.582 10.238 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.032 5.978 7.714 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.777 7.565 7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.432 4.980 7.827 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.014 5.242 6.808 1.00 0.00 H new ATOM 265 N GLY A 18 3.465 7.472 8.981 1.00 0.00 N ATOM 266 CA GLY A 18 2.323 8.254 8.523 1.00 0.00 C ATOM 267 C GLY A 18 2.064 8.034 7.038 1.00 0.00 C ATOM 268 O GLY A 18 1.292 8.763 6.417 1.00 0.00 O ATOM 0 H GLY A 18 3.256 6.491 9.167 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.437 7.977 9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.505 9.312 8.710 1.00 0.00 H new ATOM 272 N PHE A 19 2.715 7.022 6.473 1.00 0.00 N ATOM 273 CA PHE A 19 2.552 6.699 5.062 1.00 0.00 C ATOM 274 C PHE A 19 3.075 5.301 4.752 1.00 0.00 C ATOM 275 O PHE A 19 3.748 4.683 5.577 1.00 0.00 O ATOM 276 CB PHE A 19 3.266 7.733 4.190 1.00 0.00 C ATOM 277 CG PHE A 19 4.739 7.843 4.463 1.00 0.00 C ATOM 278 CD1 PHE A 19 5.639 6.987 3.846 1.00 0.00 C ATOM 279 CD2 PHE A 19 5.228 8.801 5.339 1.00 0.00 C ATOM 280 CE1 PHE A 19 6.994 7.087 4.097 1.00 0.00 C ATOM 281 CE2 PHE A 19 6.582 8.903 5.591 1.00 0.00 C ATOM 282 CZ PHE A 19 7.466 8.045 4.969 1.00 0.00 C ATOM 0 H PHE A 19 3.361 6.411 6.973 1.00 0.00 H new ATOM 0 HA PHE A 19 1.486 6.721 4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.119 7.474 3.141 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.803 8.708 4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.277 6.234 3.162 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.542 9.475 5.830 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.684 6.414 3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.949 9.654 6.275 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.525 8.124 5.165 1.00 0.00 H new ATOM 292 N ILE A 20 2.763 4.809 3.557 1.00 0.00 N ATOM 293 CA ILE A 20 3.248 3.508 3.115 1.00 0.00 C ATOM 294 C ILE A 20 4.450 3.652 2.191 1.00 0.00 C ATOM 295 O ILE A 20 4.369 4.299 1.146 1.00 0.00 O ATOM 296 CB ILE A 20 2.148 2.712 2.390 1.00 0.00 C ATOM 297 CG1 ILE A 20 0.947 2.496 3.314 1.00 0.00 C ATOM 298 CG2 ILE A 20 2.690 1.380 1.897 1.00 0.00 C ATOM 299 CD1 ILE A 20 1.280 1.741 4.581 1.00 0.00 C ATOM 0 H ILE A 20 2.176 5.293 2.878 1.00 0.00 H new ATOM 0 HA ILE A 20 3.547 2.964 4.011 1.00 0.00 H new ATOM 0 HB ILE A 20 1.818 3.288 1.526 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.526 3.466 3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.175 1.952 2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.898 0.831 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.513 1.556 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.048 0.796 2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.379 1.627 5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.672 0.757 4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.029 2.294 5.148 1.00 0.00 H new ATOM 311 N ASP A 21 5.566 3.047 2.581 1.00 0.00 N ATOM 312 CA ASP A 21 6.775 3.070 1.767 1.00 0.00 C ATOM 313 C ASP A 21 6.716 2.021 0.664 1.00 0.00 C ATOM 314 O ASP A 21 5.827 1.169 0.650 1.00 0.00 O ATOM 315 CB ASP A 21 8.014 2.846 2.639 1.00 0.00 C ATOM 316 CG ASP A 21 9.299 3.426 2.066 1.00 0.00 C ATOM 317 OD1 ASP A 21 9.263 3.930 0.969 1.00 0.00 O ATOM 318 OD2 ASP A 21 10.266 3.501 2.786 1.00 0.00 O ATOM 0 H ASP A 21 5.658 2.534 3.458 1.00 0.00 H new ATOM 0 HA ASP A 21 6.843 4.053 1.301 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.837 3.286 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.149 1.775 2.790 1.00 0.00 H new ATOM 323 N ARG A 22 7.670 2.087 -0.260 1.00 0.00 N ATOM 324 CA ARG A 22 7.738 1.132 -1.359 1.00 0.00 C ATOM 325 C ARG A 22 7.999 -0.279 -0.848 1.00 0.00 C ATOM 326 O ARG A 22 7.358 -1.236 -1.284 1.00 0.00 O ATOM 327 CB ARG A 22 8.758 1.541 -2.411 1.00 0.00 C ATOM 328 CG ARG A 22 8.754 0.689 -3.671 1.00 0.00 C ATOM 329 CD ARG A 22 9.794 1.060 -4.666 1.00 0.00 C ATOM 330 NE ARG A 22 11.156 0.769 -4.250 1.00 0.00 N ATOM 331 CZ ARG A 22 11.743 -0.440 -4.345 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.082 -1.479 -4.803 1.00 0.00 N ATOM 333 NH2 ARG A 22 12.996 -0.559 -3.941 1.00 0.00 N ATOM 0 H ARG A 22 8.407 2.793 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 22 6.763 1.135 -1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.574 2.578 -2.691 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.753 1.502 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.893 -0.355 -3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.774 0.764 -4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.592 0.533 -5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.712 2.126 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 22 11.706 1.534 -3.859 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.109 -1.377 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 22 11.541 -2.387 -4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.491 0.252 -3.570 1.00 0.00 H new ATOM 0 HH22 ARG A 22 13.467 -1.462 -4.000 1.00 0.00 H new ATOM 347 N GLU A 23 8.943 -0.402 0.078 1.00 0.00 N ATOM 348 CA GLU A 23 9.263 -1.692 0.679 1.00 0.00 C ATOM 349 C GLU A 23 8.122 -2.189 1.557 1.00 0.00 C ATOM 350 O GLU A 23 7.845 -3.387 1.612 1.00 0.00 O ATOM 351 CB GLU A 23 10.552 -1.596 1.498 1.00 0.00 C ATOM 352 CG GLU A 23 11.813 -1.413 0.666 1.00 0.00 C ATOM 353 CD GLU A 23 13.021 -1.216 1.540 1.00 0.00 C ATOM 354 OE1 GLU A 23 12.862 -1.160 2.736 1.00 0.00 O ATOM 355 OE2 GLU A 23 14.113 -1.235 1.023 1.00 0.00 O ATOM 0 H GLU A 23 9.501 0.376 0.429 1.00 0.00 H new ATOM 0 HA GLU A 23 9.409 -2.409 -0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.465 -0.761 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.655 -2.500 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 23 11.961 -2.285 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.695 -0.553 0.007 1.00 0.00 H new ATOM 362 N GLU A 24 7.462 -1.261 2.242 1.00 0.00 N ATOM 363 CA GLU A 24 6.291 -1.591 3.046 1.00 0.00 C ATOM 364 C GLU A 24 5.135 -2.056 2.172 1.00 0.00 C ATOM 365 O GLU A 24 4.369 -2.940 2.557 1.00 0.00 O ATOM 366 CB GLU A 24 5.862 -0.386 3.887 1.00 0.00 C ATOM 367 CG GLU A 24 6.811 -0.046 5.029 1.00 0.00 C ATOM 368 CD GLU A 24 6.411 1.232 5.710 1.00 0.00 C ATOM 369 OE1 GLU A 24 5.506 1.878 5.236 1.00 0.00 O ATOM 370 OE2 GLU A 24 6.932 1.509 6.764 1.00 0.00 O ATOM 0 H GLU A 24 7.718 -0.274 2.256 1.00 0.00 H new ATOM 0 HA GLU A 24 6.565 -2.409 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.771 0.483 3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.872 -0.580 4.299 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.817 -0.860 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.827 0.047 4.645 1.00 0.00 H new ATOM 377 N PHE A 25 5.013 -1.456 0.993 1.00 0.00 N ATOM 378 CA PHE A 25 3.998 -1.861 0.027 1.00 0.00 C ATOM 379 C PHE A 25 4.267 -3.266 -0.498 1.00 0.00 C ATOM 380 O PHE A 25 3.341 -4.055 -0.693 1.00 0.00 O ATOM 381 CB PHE A 25 3.938 -0.869 -1.134 1.00 0.00 C ATOM 382 CG PHE A 25 2.914 -1.217 -2.177 1.00 0.00 C ATOM 383 CD1 PHE A 25 1.561 -1.053 -1.925 1.00 0.00 C ATOM 384 CD2 PHE A 25 3.303 -1.712 -3.413 1.00 0.00 C ATOM 385 CE1 PHE A 25 0.619 -1.374 -2.883 1.00 0.00 C ATOM 386 CE2 PHE A 25 2.365 -2.032 -4.375 1.00 0.00 C ATOM 387 CZ PHE A 25 1.020 -1.863 -4.109 1.00 0.00 C ATOM 0 H PHE A 25 5.606 -0.686 0.683 1.00 0.00 H new ATOM 0 HA PHE A 25 3.035 -1.866 0.538 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.719 0.124 -0.740 1.00 0.00 H new ATOM 0 HB3 PHE A 25 4.919 -0.816 -1.605 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.239 -0.670 -0.968 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.353 -1.849 -3.626 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.432 -1.242 -2.672 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.683 -2.414 -5.334 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.284 -2.113 -4.859 1.00 0.00 H new ATOM 397 N GLY A 26 5.539 -3.575 -0.724 1.00 0.00 N ATOM 398 CA GLY A 26 5.948 -4.927 -1.085 1.00 0.00 C ATOM 399 C GLY A 26 5.449 -5.943 -0.066 1.00 0.00 C ATOM 400 O GLY A 26 5.002 -7.031 -0.429 1.00 0.00 O ATOM 0 H GLY A 26 6.306 -2.906 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.559 -5.176 -2.072 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.035 -4.976 -1.149 1.00 0.00 H new ATOM 404 N ASP A 27 5.530 -5.583 1.210 1.00 0.00 N ATOM 405 CA ASP A 27 4.980 -6.410 2.276 1.00 0.00 C ATOM 406 C ASP A 27 3.465 -6.528 2.155 1.00 0.00 C ATOM 407 O ASP A 27 2.903 -7.610 2.321 1.00 0.00 O ATOM 408 CB ASP A 27 5.355 -5.840 3.646 1.00 0.00 C ATOM 409 CG ASP A 27 6.802 -6.085 4.055 1.00 0.00 C ATOM 410 OD1 ASP A 27 7.454 -6.875 3.414 1.00 0.00 O ATOM 411 OD2 ASP A 27 7.289 -5.370 4.897 1.00 0.00 O ATOM 0 H ASP A 27 5.972 -4.722 1.531 1.00 0.00 H new ATOM 0 HA ASP A 27 5.409 -7.407 2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.168 -4.766 3.643 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.699 -6.276 4.399 1.00 0.00 H new ATOM 416 N ILE A 28 2.811 -5.408 1.867 1.00 0.00 N ATOM 417 CA ILE A 28 1.359 -5.380 1.736 1.00 0.00 C ATOM 418 C ILE A 28 0.881 -6.385 0.696 1.00 0.00 C ATOM 419 O ILE A 28 -0.085 -7.116 0.922 1.00 0.00 O ATOM 420 CB ILE A 28 0.852 -3.979 1.354 1.00 0.00 C ATOM 421 CG1 ILE A 28 1.060 -3.000 2.513 1.00 0.00 C ATOM 422 CG2 ILE A 28 -0.615 -4.033 0.956 1.00 0.00 C ATOM 423 CD1 ILE A 28 0.743 -1.565 2.166 1.00 0.00 C ATOM 0 H ILE A 28 3.264 -4.506 1.720 1.00 0.00 H new ATOM 0 HA ILE A 28 0.951 -5.649 2.710 1.00 0.00 H new ATOM 0 HB ILE A 28 1.427 -3.625 0.498 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.435 -3.307 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.096 -3.063 2.847 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.957 -3.033 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.736 -4.698 0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.205 -4.407 1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.915 -0.933 3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.385 -1.238 1.349 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.301 -1.486 1.861 1.00 0.00 H new ATOM 435 N ILE A 29 1.562 -6.417 -0.445 1.00 0.00 N ATOM 436 CA ILE A 29 1.243 -7.370 -1.500 1.00 0.00 C ATOM 437 C ILE A 29 1.360 -8.806 -1.001 1.00 0.00 C ATOM 438 O ILE A 29 0.530 -9.655 -1.326 1.00 0.00 O ATOM 439 CB ILE A 29 2.160 -7.186 -2.724 1.00 0.00 C ATOM 440 CG1 ILE A 29 1.940 -5.809 -3.354 1.00 0.00 C ATOM 441 CG2 ILE A 29 1.913 -8.288 -3.745 1.00 0.00 C ATOM 442 CD1 ILE A 29 0.513 -5.554 -3.783 1.00 0.00 C ATOM 0 H ILE A 29 2.339 -5.793 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 29 0.212 -7.175 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 29 3.197 -7.251 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.237 -5.041 -2.639 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.593 -5.708 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.569 -8.143 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.119 -9.257 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.874 -8.254 -4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.437 -4.558 -4.220 1.00 0.00 H new ATOM 0 HD12 ILE A 29 0.217 -6.298 -4.522 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.145 -5.621 -2.917 1.00 0.00 H new ATOM 454 N ARG A 30 2.394 -9.069 -0.210 1.00 0.00 N ATOM 455 CA ARG A 30 2.574 -10.377 0.405 1.00 0.00 C ATOM 456 C ARG A 30 1.500 -10.647 1.452 1.00 0.00 C ATOM 457 O ARG A 30 1.044 -11.780 1.609 1.00 0.00 O ATOM 458 CB ARG A 30 3.971 -10.554 0.983 1.00 0.00 C ATOM 459 CG ARG A 30 5.072 -10.730 -0.050 1.00 0.00 C ATOM 460 CD ARG A 30 6.411 -11.014 0.527 1.00 0.00 C ATOM 461 NE ARG A 30 7.089 -9.852 1.079 1.00 0.00 N ATOM 462 CZ ARG A 30 7.886 -9.024 0.376 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.139 -9.246 -0.896 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.427 -7.995 1.003 1.00 0.00 N ATOM 0 H ARG A 30 3.121 -8.392 0.020 1.00 0.00 H new ATOM 0 HA ARG A 30 2.464 -11.119 -0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.206 -9.686 1.599 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.969 -11.422 1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.798 -11.544 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.134 -9.826 -0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.303 -11.763 1.312 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.041 -11.452 -0.247 1.00 0.00 H new ATOM 0 HE ARG A 30 6.951 -9.649 2.069 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.730 -10.055 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.745 -8.609 -1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.237 -7.844 1.994 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.035 -7.351 0.496 1.00 0.00 H new ATOM 478 N LEU A 31 1.100 -9.600 2.164 1.00 0.00 N ATOM 479 CA LEU A 31 0.122 -9.732 3.237 1.00 0.00 C ATOM 480 C LEU A 31 -1.271 -10.002 2.683 1.00 0.00 C ATOM 481 O LEU A 31 -2.090 -10.656 3.330 1.00 0.00 O ATOM 482 CB LEU A 31 0.114 -8.468 4.107 1.00 0.00 C ATOM 483 CG LEU A 31 1.372 -8.255 4.959 1.00 0.00 C ATOM 484 CD1 LEU A 31 1.337 -6.878 5.605 1.00 0.00 C ATOM 485 CD2 LEU A 31 1.458 -9.345 6.018 1.00 0.00 C ATOM 0 H LEU A 31 1.438 -8.649 2.017 1.00 0.00 H new ATOM 0 HA LEU A 31 0.410 -10.584 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.018 -7.601 3.460 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.751 -8.507 4.769 1.00 0.00 H new ATOM 0 HG LEU A 31 2.256 -8.311 4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.234 -6.736 6.208 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.296 -6.113 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.456 -6.797 6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.352 -9.194 6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.576 -9.302 6.656 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.509 -10.320 5.533 1.00 0.00 H new ATOM 497 N THR A 32 -1.534 -9.496 1.484 1.00 0.00 N ATOM 498 CA THR A 32 -2.813 -9.719 0.821 1.00 0.00 C ATOM 499 C THR A 32 -2.808 -11.025 0.038 1.00 0.00 C ATOM 500 O THR A 32 -3.838 -11.451 -0.485 1.00 0.00 O ATOM 501 CB THR A 32 -3.164 -8.562 -0.134 1.00 0.00 C ATOM 502 OG1 THR A 32 -2.124 -8.410 -1.107 1.00 0.00 O ATOM 503 CG2 THR A 32 -3.324 -7.262 0.640 1.00 0.00 C ATOM 0 H THR A 32 -0.877 -8.927 0.950 1.00 0.00 H new ATOM 0 HA THR A 32 -3.567 -9.772 1.606 1.00 0.00 H new ATOM 0 HB THR A 32 -4.105 -8.794 -0.632 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.421 -9.072 -0.941 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.572 -6.456 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.124 -7.371 1.373 1.00 0.00 H new ATOM 0 HG23 THR A 32 -2.391 -7.027 1.153 1.00 0.00 H new ATOM 511 N GLY A 33 -1.643 -11.659 -0.038 1.00 0.00 N ATOM 512 CA GLY A 33 -1.519 -12.963 -0.679 1.00 0.00 C ATOM 513 C GLY A 33 -1.554 -12.835 -2.197 1.00 0.00 C ATOM 514 O GLY A 33 -1.966 -13.760 -2.898 1.00 0.00 O ATOM 0 H GLY A 33 -0.769 -11.290 0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.585 -13.435 -0.372 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.329 -13.613 -0.347 1.00 0.00 H new ATOM 518 N GLU A 34 -1.120 -11.684 -2.699 1.00 0.00 N ATOM 519 CA GLU A 34 -1.117 -11.427 -4.134 1.00 0.00 C ATOM 520 C GLU A 34 0.219 -11.808 -4.760 1.00 0.00 C ATOM 521 O GLU A 34 1.280 -11.485 -4.225 1.00 0.00 O ATOM 522 CB GLU A 34 -1.429 -9.955 -4.415 1.00 0.00 C ATOM 523 CG GLU A 34 -2.881 -9.565 -4.182 1.00 0.00 C ATOM 524 CD GLU A 34 -3.807 -10.345 -5.072 1.00 0.00 C ATOM 525 OE1 GLU A 34 -3.609 -10.328 -6.263 1.00 0.00 O ATOM 526 OE2 GLU A 34 -4.643 -11.047 -4.556 1.00 0.00 O ATOM 0 H GLU A 34 -0.765 -10.914 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.893 -12.046 -4.585 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.793 -9.334 -3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.167 -9.732 -5.449 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.143 -9.740 -3.139 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.007 -8.498 -4.368 1.00 0.00 H new ATOM 533 N GLN A 35 0.161 -12.496 -5.894 1.00 0.00 N ATOM 534 CA GLN A 35 1.366 -12.952 -6.577 1.00 0.00 C ATOM 535 C GLN A 35 1.814 -11.948 -7.632 1.00 0.00 C ATOM 536 O GLN A 35 1.356 -11.987 -8.774 1.00 0.00 O ATOM 537 CB GLN A 35 1.128 -14.316 -7.230 1.00 0.00 C ATOM 538 CG GLN A 35 0.784 -15.424 -6.249 1.00 0.00 C ATOM 539 CD GLN A 35 1.910 -15.702 -5.272 1.00 0.00 C ATOM 540 OE1 GLN A 35 3.050 -15.954 -5.671 1.00 0.00 O ATOM 541 NE2 GLN A 35 1.596 -15.662 -3.982 1.00 0.00 N ATOM 0 H GLN A 35 -0.709 -12.751 -6.361 1.00 0.00 H new ATOM 0 HA GLN A 35 2.155 -13.044 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.319 -14.223 -7.955 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.022 -14.602 -7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.114 -15.149 -5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.552 -16.335 -6.801 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.640 -15.449 -3.696 1.00 0.00 H new ATOM 0 HE22 GLN A 35 2.311 -15.844 -3.277 1.00 0.00 H new ATOM 550 N LEU A 36 2.710 -11.048 -7.243 1.00 0.00 N ATOM 551 CA LEU A 36 3.235 -10.044 -8.158 1.00 0.00 C ATOM 552 C LEU A 36 4.755 -10.117 -8.245 1.00 0.00 C ATOM 553 O LEU A 36 5.417 -10.582 -7.318 1.00 0.00 O ATOM 554 CB LEU A 36 2.792 -8.642 -7.719 1.00 0.00 C ATOM 555 CG LEU A 36 1.276 -8.414 -7.696 1.00 0.00 C ATOM 556 CD1 LEU A 36 0.964 -7.029 -7.145 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.716 -8.574 -9.101 1.00 0.00 C ATOM 0 H LEU A 36 3.088 -10.994 -6.297 1.00 0.00 H new ATOM 0 HA LEU A 36 2.832 -10.248 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.188 -8.449 -6.722 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.243 -7.910 -8.388 1.00 0.00 H new ATOM 0 HG LEU A 36 0.808 -9.153 -7.046 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.115 -6.877 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.354 -6.945 -6.131 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.430 -6.273 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.362 -8.412 -9.084 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.182 -7.845 -9.764 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.926 -9.580 -9.464 1.00 0.00 H new ATOM 569 N THR A 37 5.301 -9.654 -9.364 1.00 0.00 N ATOM 570 CA THR A 37 6.746 -9.535 -9.519 1.00 0.00 C ATOM 571 C THR A 37 7.256 -8.225 -8.933 1.00 0.00 C ATOM 572 O THR A 37 6.472 -7.363 -8.539 1.00 0.00 O ATOM 573 CB THR A 37 7.166 -9.622 -10.998 1.00 0.00 C ATOM 574 OG1 THR A 37 6.672 -8.477 -11.706 1.00 0.00 O ATOM 575 CG2 THR A 37 6.609 -10.886 -11.637 1.00 0.00 C ATOM 0 H THR A 37 4.764 -9.355 -10.178 1.00 0.00 H new ATOM 0 HA THR A 37 7.189 -10.370 -8.976 1.00 0.00 H new ATOM 0 HB THR A 37 8.254 -9.649 -11.050 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.941 -8.533 -12.647 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.916 -10.931 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.991 -11.760 -11.109 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.521 -10.874 -11.578 1.00 0.00 H new ATOM 583 N ASP A 38 8.577 -8.081 -8.880 1.00 0.00 N ATOM 584 CA ASP A 38 9.194 -6.844 -8.418 1.00 0.00 C ATOM 585 C ASP A 38 8.738 -5.655 -9.255 1.00 0.00 C ATOM 586 O ASP A 38 8.552 -4.554 -8.738 1.00 0.00 O ATOM 587 CB ASP A 38 10.720 -6.959 -8.457 1.00 0.00 C ATOM 588 CG ASP A 38 11.310 -7.853 -7.375 1.00 0.00 C ATOM 589 OD1 ASP A 38 10.596 -8.202 -6.465 1.00 0.00 O ATOM 590 OD2 ASP A 38 12.416 -8.306 -7.546 1.00 0.00 O ATOM 0 H ASP A 38 9.240 -8.807 -9.152 1.00 0.00 H new ATOM 0 HA ASP A 38 8.877 -6.678 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.019 -7.344 -9.432 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.150 -5.962 -8.362 1.00 0.00 H new ATOM 595 N GLU A 39 8.559 -5.885 -10.552 1.00 0.00 N ATOM 596 CA GLU A 39 8.122 -4.834 -11.463 1.00 0.00 C ATOM 597 C GLU A 39 6.638 -4.538 -11.289 1.00 0.00 C ATOM 598 O GLU A 39 6.219 -3.381 -11.323 1.00 0.00 O ATOM 599 CB GLU A 39 8.413 -5.227 -12.914 1.00 0.00 C ATOM 600 CG GLU A 39 9.892 -5.273 -13.268 1.00 0.00 C ATOM 601 CD GLU A 39 10.102 -5.753 -14.676 1.00 0.00 C ATOM 602 OE1 GLU A 39 9.136 -6.091 -15.319 1.00 0.00 O ATOM 603 OE2 GLU A 39 11.211 -5.677 -15.151 1.00 0.00 O ATOM 0 H GLU A 39 8.710 -6.791 -10.996 1.00 0.00 H new ATOM 0 HA GLU A 39 8.681 -3.930 -11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.975 -6.206 -13.107 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.915 -4.519 -13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.327 -4.280 -13.151 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.414 -5.933 -12.575 1.00 0.00 H new ATOM 610 N ASP A 40 5.847 -5.588 -11.103 1.00 0.00 N ATOM 611 CA ASP A 40 4.406 -5.443 -10.937 1.00 0.00 C ATOM 612 C ASP A 40 4.072 -4.687 -9.657 1.00 0.00 C ATOM 613 O ASP A 40 3.167 -3.853 -9.636 1.00 0.00 O ATOM 614 CB ASP A 40 3.725 -6.814 -10.929 1.00 0.00 C ATOM 615 CG ASP A 40 3.667 -7.496 -12.290 1.00 0.00 C ATOM 616 OD1 ASP A 40 3.909 -6.836 -13.273 1.00 0.00 O ATOM 617 OD2 ASP A 40 3.539 -8.696 -12.325 1.00 0.00 O ATOM 0 H ASP A 40 6.180 -6.551 -11.063 1.00 0.00 H new ATOM 0 HA ASP A 40 4.031 -4.866 -11.783 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.254 -7.465 -10.232 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.709 -6.699 -10.550 1.00 0.00 H new ATOM 622 N VAL A 41 4.809 -4.982 -8.592 1.00 0.00 N ATOM 623 CA VAL A 41 4.605 -4.317 -7.311 1.00 0.00 C ATOM 624 C VAL A 41 4.994 -2.846 -7.387 1.00 0.00 C ATOM 625 O VAL A 41 4.255 -1.975 -6.929 1.00 0.00 O ATOM 626 CB VAL A 41 5.413 -4.994 -6.187 1.00 0.00 C ATOM 627 CG1 VAL A 41 5.348 -4.167 -4.912 1.00 0.00 C ATOM 628 CG2 VAL A 41 4.895 -6.402 -5.933 1.00 0.00 C ATOM 0 H VAL A 41 5.554 -5.678 -8.591 1.00 0.00 H new ATOM 0 HA VAL A 41 3.543 -4.398 -7.081 1.00 0.00 H new ATOM 0 HB VAL A 41 6.454 -5.060 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.924 -4.660 -4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.763 -3.177 -5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.310 -4.071 -4.593 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.477 -6.866 -5.136 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.847 -6.356 -5.637 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.990 -6.994 -6.843 1.00 0.00 H new ATOM 638 N ASP A 42 6.159 -2.576 -7.967 1.00 0.00 N ATOM 639 CA ASP A 42 6.632 -1.208 -8.136 1.00 0.00 C ATOM 640 C ASP A 42 5.734 -0.428 -9.088 1.00 0.00 C ATOM 641 O ASP A 42 5.547 0.779 -8.931 1.00 0.00 O ATOM 642 CB ASP A 42 8.075 -1.198 -8.648 1.00 0.00 C ATOM 643 CG ASP A 42 9.114 -1.587 -7.605 1.00 0.00 C ATOM 644 OD1 ASP A 42 8.775 -1.638 -6.447 1.00 0.00 O ATOM 645 OD2 ASP A 42 10.190 -1.981 -7.988 1.00 0.00 O ATOM 0 H ASP A 42 6.793 -3.288 -8.328 1.00 0.00 H new ATOM 0 HA ASP A 42 6.599 -0.722 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.153 -1.882 -9.493 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.308 -0.201 -9.022 1.00 0.00 H new ATOM 650 N GLU A 43 5.180 -1.124 -10.075 1.00 0.00 N ATOM 651 CA GLU A 43 4.280 -0.503 -11.038 1.00 0.00 C ATOM 652 C GLU A 43 3.024 0.027 -10.358 1.00 0.00 C ATOM 653 O GLU A 43 2.637 1.178 -10.558 1.00 0.00 O ATOM 654 CB GLU A 43 3.901 -1.499 -12.136 1.00 0.00 C ATOM 655 CG GLU A 43 2.979 -0.934 -13.208 1.00 0.00 C ATOM 656 CD GLU A 43 2.680 -1.958 -14.267 1.00 0.00 C ATOM 657 OE1 GLU A 43 3.181 -3.052 -14.167 1.00 0.00 O ATOM 658 OE2 GLU A 43 1.862 -1.686 -15.114 1.00 0.00 O ATOM 0 H GLU A 43 5.339 -2.120 -10.229 1.00 0.00 H new ATOM 0 HA GLU A 43 4.805 0.339 -11.488 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.813 -1.860 -12.612 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.418 -2.361 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.048 -0.599 -12.750 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.442 -0.060 -13.665 1.00 0.00 H new ATOM 665 N ILE A 44 2.391 -0.819 -9.552 1.00 0.00 N ATOM 666 CA ILE A 44 1.193 -0.429 -8.820 1.00 0.00 C ATOM 667 C ILE A 44 1.500 0.660 -7.801 1.00 0.00 C ATOM 668 O ILE A 44 0.713 1.588 -7.614 1.00 0.00 O ATOM 669 CB ILE A 44 0.556 -1.631 -8.098 1.00 0.00 C ATOM 670 CG1 ILE A 44 0.028 -2.647 -9.113 1.00 0.00 C ATOM 671 CG2 ILE A 44 -0.561 -1.166 -7.175 1.00 0.00 C ATOM 672 CD1 ILE A 44 -0.365 -3.973 -8.504 1.00 0.00 C ATOM 0 H ILE A 44 2.689 -1.781 -9.389 1.00 0.00 H new ATOM 0 HA ILE A 44 0.487 -0.044 -9.556 1.00 0.00 H new ATOM 0 HB ILE A 44 1.322 -2.117 -7.493 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.837 -2.222 -9.622 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.792 -2.819 -9.871 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.000 -2.028 -6.673 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -0.156 -0.480 -6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.328 -0.657 -7.759 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.729 -4.639 -9.286 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.502 -4.422 -8.020 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.152 -3.816 -7.766 1.00 0.00 H new ATOM 684 N PHE A 45 2.649 0.541 -7.143 1.00 0.00 N ATOM 685 CA PHE A 45 3.099 1.556 -6.198 1.00 0.00 C ATOM 686 C PHE A 45 3.148 2.932 -6.849 1.00 0.00 C ATOM 687 O PHE A 45 2.629 3.906 -6.304 1.00 0.00 O ATOM 688 CB PHE A 45 4.475 1.191 -5.638 1.00 0.00 C ATOM 689 CG PHE A 45 5.023 2.201 -4.669 1.00 0.00 C ATOM 690 CD1 PHE A 45 4.641 2.183 -3.336 1.00 0.00 C ATOM 691 CD2 PHE A 45 5.919 3.171 -5.090 1.00 0.00 C ATOM 692 CE1 PHE A 45 5.144 3.112 -2.445 1.00 0.00 C ATOM 693 CE2 PHE A 45 6.425 4.100 -4.202 1.00 0.00 C ATOM 694 CZ PHE A 45 6.036 4.070 -2.877 1.00 0.00 C ATOM 0 H PHE A 45 3.286 -0.249 -7.247 1.00 0.00 H new ATOM 0 HA PHE A 45 2.380 1.592 -5.379 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.410 0.223 -5.141 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.175 1.078 -6.465 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.943 1.435 -2.990 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.225 3.201 -6.125 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.838 3.087 -1.410 1.00 0.00 H new ATOM 0 HE2 PHE A 45 7.124 4.849 -4.543 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.430 4.796 -2.181 1.00 0.00 H new ATOM 704 N GLY A 46 3.774 3.006 -8.019 1.00 0.00 N ATOM 705 CA GLY A 46 3.902 4.266 -8.742 1.00 0.00 C ATOM 706 C GLY A 46 2.548 4.755 -9.239 1.00 0.00 C ATOM 707 O GLY A 46 2.299 5.959 -9.307 1.00 0.00 O ATOM 0 H GLY A 46 4.201 2.207 -8.487 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.347 5.018 -8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.578 4.136 -9.587 1.00 0.00 H new ATOM 711 N ASP A 47 1.675 3.814 -9.587 1.00 0.00 N ATOM 712 CA ASP A 47 0.343 4.148 -10.076 1.00 0.00 C ATOM 713 C ASP A 47 -0.525 4.720 -8.961 1.00 0.00 C ATOM 714 O ASP A 47 -1.352 5.602 -9.195 1.00 0.00 O ATOM 715 CB ASP A 47 -0.329 2.915 -10.685 1.00 0.00 C ATOM 716 CG ASP A 47 0.217 2.511 -12.049 1.00 0.00 C ATOM 717 OD1 ASP A 47 0.930 3.290 -12.635 1.00 0.00 O ATOM 718 OD2 ASP A 47 0.048 1.375 -12.420 1.00 0.00 O ATOM 0 H ASP A 47 1.867 2.813 -9.539 1.00 0.00 H new ATOM 0 HA ASP A 47 0.452 4.909 -10.848 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.214 2.077 -9.998 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.398 3.107 -10.777 1.00 0.00 H new ATOM 723 N SER A 48 -0.331 4.212 -7.748 1.00 0.00 N ATOM 724 CA SER A 48 -1.093 4.676 -6.595 1.00 0.00 C ATOM 725 C SER A 48 -0.518 5.973 -6.040 1.00 0.00 C ATOM 726 O SER A 48 -1.175 6.676 -5.273 1.00 0.00 O ATOM 727 CB SER A 48 -1.114 3.607 -5.520 1.00 0.00 C ATOM 728 OG SER A 48 0.160 3.369 -4.988 1.00 0.00 O ATOM 0 H SER A 48 0.347 3.479 -7.539 1.00 0.00 H new ATOM 0 HA SER A 48 -2.114 4.874 -6.920 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.789 3.911 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.511 2.682 -5.937 1.00 0.00 H new ATOM 0 HG SER A 48 0.842 3.653 -5.632 1.00 0.00 H new ATOM 734 N ASP A 49 0.712 6.285 -6.434 1.00 0.00 N ATOM 735 CA ASP A 49 1.340 7.545 -6.057 1.00 0.00 C ATOM 736 C ASP A 49 0.786 8.704 -6.876 1.00 0.00 C ATOM 737 O ASP A 49 1.434 9.187 -7.805 1.00 0.00 O ATOM 738 CB ASP A 49 2.859 7.460 -6.229 1.00 0.00 C ATOM 739 CG ASP A 49 3.619 8.674 -5.711 1.00 0.00 C ATOM 740 OD1 ASP A 49 3.010 9.512 -5.090 1.00 0.00 O ATOM 741 OD2 ASP A 49 4.824 8.678 -5.802 1.00 0.00 O ATOM 0 H ASP A 49 1.294 5.682 -7.015 1.00 0.00 H new ATOM 0 HA ASP A 49 1.112 7.729 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.222 6.572 -5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.086 7.328 -7.287 1.00 0.00 H new ATOM 746 N THR A 50 -0.418 9.146 -6.527 1.00 0.00 N ATOM 747 CA THR A 50 -1.096 10.194 -7.280 1.00 0.00 C ATOM 748 C THR A 50 -0.351 11.519 -7.174 1.00 0.00 C ATOM 749 O THR A 50 -0.222 12.250 -8.155 1.00 0.00 O ATOM 750 CB THR A 50 -2.544 10.392 -6.794 1.00 0.00 C ATOM 751 OG1 THR A 50 -3.289 9.185 -7.001 1.00 0.00 O ATOM 752 CG2 THR A 50 -3.210 11.531 -7.551 1.00 0.00 C ATOM 0 H THR A 50 -0.944 8.794 -5.727 1.00 0.00 H new ATOM 0 HA THR A 50 -1.112 9.872 -8.321 1.00 0.00 H new ATOM 0 HB THR A 50 -2.525 10.638 -5.732 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.210 9.311 -6.690 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.232 11.656 -7.194 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.652 12.453 -7.386 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.223 11.301 -8.616 1.00 0.00 H new ATOM 760 N ASP A 51 0.139 11.822 -5.976 1.00 0.00 N ATOM 761 CA ASP A 51 0.838 13.078 -5.730 1.00 0.00 C ATOM 762 C ASP A 51 2.251 13.042 -6.297 1.00 0.00 C ATOM 763 O ASP A 51 2.935 14.064 -6.352 1.00 0.00 O ATOM 764 CB ASP A 51 0.881 13.383 -4.231 1.00 0.00 C ATOM 765 CG ASP A 51 -0.454 13.816 -3.639 1.00 0.00 C ATOM 766 OD1 ASP A 51 -1.341 14.136 -4.395 1.00 0.00 O ATOM 767 OD2 ASP A 51 -0.629 13.677 -2.452 1.00 0.00 O ATOM 0 H ASP A 51 0.065 11.214 -5.160 1.00 0.00 H new ATOM 0 HA ASP A 51 0.287 13.870 -6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.229 12.496 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.615 14.169 -4.053 1.00 0.00 H new ATOM 772 N LYS A 52 2.685 11.857 -6.717 1.00 0.00 N ATOM 773 CA LYS A 52 4.029 11.681 -7.254 1.00 0.00 C ATOM 774 C LYS A 52 5.085 12.153 -6.264 1.00 0.00 C ATOM 775 O LYS A 52 6.032 12.847 -6.636 1.00 0.00 O ATOM 776 CB LYS A 52 4.178 12.428 -8.580 1.00 0.00 C ATOM 777 CG LYS A 52 3.231 11.961 -9.677 1.00 0.00 C ATOM 778 CD LYS A 52 3.439 12.748 -10.961 1.00 0.00 C ATOM 779 CE LYS A 52 2.455 12.320 -12.040 1.00 0.00 C ATOM 780 NZ LYS A 52 2.590 13.140 -13.274 1.00 0.00 N ATOM 0 H LYS A 52 2.125 11.005 -6.695 1.00 0.00 H new ATOM 0 HA LYS A 52 4.181 10.616 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 52 4.014 13.491 -8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.204 12.318 -8.932 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.389 10.900 -9.869 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.200 12.074 -9.342 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.321 13.813 -10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.459 12.602 -11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.617 11.270 -12.283 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.438 12.405 -11.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.902 12.816 -13.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.410 14.139 -13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.553 13.039 -13.654 1.00 0.00 H new ATOM 794 N ASN A 53 4.917 11.775 -5.002 1.00 0.00 N ATOM 795 CA ASN A 53 5.800 12.240 -3.938 1.00 0.00 C ATOM 796 C ASN A 53 6.772 11.148 -3.511 1.00 0.00 C ATOM 797 O ASN A 53 7.592 11.348 -2.616 1.00 0.00 O ATOM 798 CB ASN A 53 5.011 12.738 -2.741 1.00 0.00 C ATOM 799 CG ASN A 53 4.213 11.665 -2.053 1.00 0.00 C ATOM 800 OD1 ASN A 53 4.174 10.512 -2.496 1.00 0.00 O ATOM 801 ND2 ASN A 53 3.511 12.057 -1.020 1.00 0.00 N ATOM 0 H ASN A 53 4.176 11.147 -4.690 1.00 0.00 H new ATOM 0 HA ASN A 53 6.375 13.075 -4.339 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.700 13.183 -2.023 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.335 13.529 -3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.896 11.399 -0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.579 13.021 -0.693 1.00 0.00 H new ATOM 808 N GLY A 54 6.674 9.990 -4.157 1.00 0.00 N ATOM 809 CA GLY A 54 7.607 8.897 -3.914 1.00 0.00 C ATOM 810 C GLY A 54 7.054 7.920 -2.885 1.00 0.00 C ATOM 811 O GLY A 54 7.676 6.901 -2.586 1.00 0.00 O ATOM 0 H GLY A 54 5.957 9.785 -4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.807 8.371 -4.848 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.558 9.298 -3.564 1.00 0.00 H new ATOM 815 N ARG A 55 5.882 8.237 -2.346 1.00 0.00 N ATOM 816 CA ARG A 55 5.266 7.412 -1.313 1.00 0.00 C ATOM 817 C ARG A 55 3.778 7.221 -1.577 1.00 0.00 C ATOM 818 O ARG A 55 3.221 7.809 -2.503 1.00 0.00 O ATOM 819 CB ARG A 55 5.518 7.958 0.084 1.00 0.00 C ATOM 820 CG ARG A 55 6.984 8.061 0.475 1.00 0.00 C ATOM 821 CD ARG A 55 7.661 6.752 0.665 1.00 0.00 C ATOM 822 NE ARG A 55 9.020 6.845 1.173 1.00 0.00 N ATOM 823 CZ ARG A 55 10.118 6.980 0.402 1.00 0.00 C ATOM 824 NH1 ARG A 55 10.026 7.001 -0.909 1.00 0.00 N ATOM 825 NH2 ARG A 55 11.293 7.067 0.999 1.00 0.00 N ATOM 0 H ARG A 55 5.339 9.060 -2.607 1.00 0.00 H new ATOM 0 HA ARG A 55 5.742 6.433 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.066 8.947 0.159 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.008 7.320 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.514 8.622 -0.294 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.062 8.634 1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.070 6.148 1.353 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.678 6.224 -0.289 1.00 0.00 H new ATOM 0 HE ARG A 55 9.152 6.805 2.184 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.114 6.914 -1.358 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.867 7.104 -1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.352 7.031 2.017 1.00 0.00 H new ATOM 0 HH22 ARG A 55 12.142 7.170 0.442 1.00 0.00 H new ATOM 839 N ILE A 56 3.138 6.395 -0.755 1.00 0.00 N ATOM 840 CA ILE A 56 1.685 6.276 -0.767 1.00 0.00 C ATOM 841 C ILE A 56 1.069 6.916 0.471 1.00 0.00 C ATOM 842 O ILE A 56 1.318 6.481 1.595 1.00 0.00 O ATOM 843 CB ILE A 56 1.240 4.804 -0.848 1.00 0.00 C ATOM 844 CG1 ILE A 56 1.716 4.173 -2.159 1.00 0.00 C ATOM 845 CG2 ILE A 56 -0.272 4.698 -0.721 1.00 0.00 C ATOM 846 CD1 ILE A 56 1.480 2.683 -2.241 1.00 0.00 C ATOM 0 H ILE A 56 3.604 5.798 -0.072 1.00 0.00 H new ATOM 0 HA ILE A 56 1.334 6.801 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 56 1.693 4.259 -0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.206 4.658 -2.991 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.781 4.370 -2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.570 3.651 -0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.586 5.111 0.238 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.745 5.256 -1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.843 2.309 -3.198 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.013 2.185 -1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.413 2.478 -2.153 1.00 0.00 H new ATOM 858 N ASP A 57 0.264 7.951 0.257 1.00 0.00 N ATOM 859 CA ASP A 57 -0.384 8.658 1.356 1.00 0.00 C ATOM 860 C ASP A 57 -1.571 7.871 1.893 1.00 0.00 C ATOM 861 O ASP A 57 -1.957 6.847 1.329 1.00 0.00 O ATOM 862 CB ASP A 57 -0.835 10.050 0.905 1.00 0.00 C ATOM 863 CG ASP A 57 -0.914 11.078 2.026 1.00 0.00 C ATOM 864 OD1 ASP A 57 -0.709 10.711 3.159 1.00 0.00 O ATOM 865 OD2 ASP A 57 -1.021 12.244 1.729 1.00 0.00 O ATOM 0 H ASP A 57 0.044 8.319 -0.668 1.00 0.00 H new ATOM 0 HA ASP A 57 0.344 8.765 2.160 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.145 10.413 0.143 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.815 9.967 0.435 1.00 0.00 H new ATOM 870 N PHE A 58 -2.148 8.354 2.988 1.00 0.00 N ATOM 871 CA PHE A 58 -3.316 7.716 3.584 1.00 0.00 C ATOM 872 C PHE A 58 -4.507 7.749 2.635 1.00 0.00 C ATOM 873 O PHE A 58 -5.157 6.729 2.404 1.00 0.00 O ATOM 874 CB PHE A 58 -3.679 8.394 4.906 1.00 0.00 C ATOM 875 CG PHE A 58 -4.925 7.852 5.544 1.00 0.00 C ATOM 876 CD1 PHE A 58 -4.921 6.613 6.166 1.00 0.00 C ATOM 877 CD2 PHE A 58 -6.107 8.578 5.521 1.00 0.00 C ATOM 878 CE1 PHE A 58 -6.067 6.111 6.753 1.00 0.00 C ATOM 879 CE2 PHE A 58 -7.255 8.080 6.109 1.00 0.00 C ATOM 880 CZ PHE A 58 -7.234 6.846 6.725 1.00 0.00 C ATOM 0 H PHE A 58 -1.825 9.186 3.481 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.064 6.673 3.777 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.847 8.281 5.602 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.806 9.463 4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.011 6.033 6.192 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.131 9.544 5.038 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -6.049 5.144 7.233 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.168 8.657 6.086 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.130 6.456 7.185 1.00 0.00 H new ATOM 890 N ASP A 59 -4.786 8.926 2.086 1.00 0.00 N ATOM 891 CA ASP A 59 -5.871 9.085 1.124 1.00 0.00 C ATOM 892 C ASP A 59 -5.619 8.260 -0.132 1.00 0.00 C ATOM 893 O ASP A 59 -6.544 7.680 -0.702 1.00 0.00 O ATOM 894 CB ASP A 59 -6.052 10.559 0.757 1.00 0.00 C ATOM 895 CG ASP A 59 -6.679 11.408 1.854 1.00 0.00 C ATOM 896 OD1 ASP A 59 -7.185 10.847 2.797 1.00 0.00 O ATOM 897 OD2 ASP A 59 -6.512 12.604 1.821 1.00 0.00 O ATOM 0 H ASP A 59 -4.275 9.785 2.291 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.786 8.723 1.592 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.079 10.979 0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.673 10.625 -0.136 1.00 0.00 H new ATOM 902 N GLU A 60 -4.362 8.210 -0.559 1.00 0.00 N ATOM 903 CA GLU A 60 -3.968 7.377 -1.688 1.00 0.00 C ATOM 904 C GLU A 60 -4.081 5.896 -1.346 1.00 0.00 C ATOM 905 O GLU A 60 -4.419 5.076 -2.198 1.00 0.00 O ATOM 906 CB GLU A 60 -2.540 7.708 -2.127 1.00 0.00 C ATOM 907 CG GLU A 60 -2.382 9.078 -2.771 1.00 0.00 C ATOM 908 CD GLU A 60 -0.933 9.431 -2.956 1.00 0.00 C ATOM 909 OE1 GLU A 60 -0.096 8.667 -2.536 1.00 0.00 O ATOM 910 OE2 GLU A 60 -0.658 10.405 -3.616 1.00 0.00 O ATOM 0 H GLU A 60 -3.597 8.738 -0.139 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.649 7.590 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.883 7.650 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.204 6.948 -2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.887 9.089 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.866 9.832 -2.150 1.00 0.00 H new ATOM 917 N PHE A 61 -3.794 5.562 -0.092 1.00 0.00 N ATOM 918 CA PHE A 61 -3.885 4.182 0.372 1.00 0.00 C ATOM 919 C PHE A 61 -5.311 3.660 0.270 1.00 0.00 C ATOM 920 O PHE A 61 -5.540 2.535 -0.174 1.00 0.00 O ATOM 921 CB PHE A 61 -3.384 4.069 1.814 1.00 0.00 C ATOM 922 CG PHE A 61 -3.537 2.696 2.402 1.00 0.00 C ATOM 923 CD1 PHE A 61 -2.549 1.738 2.230 1.00 0.00 C ATOM 924 CD2 PHE A 61 -4.670 2.358 3.127 1.00 0.00 C ATOM 925 CE1 PHE A 61 -2.688 0.473 2.772 1.00 0.00 C ATOM 926 CE2 PHE A 61 -4.811 1.095 3.671 1.00 0.00 C ATOM 927 CZ PHE A 61 -3.819 0.153 3.492 1.00 0.00 C ATOM 0 H PHE A 61 -3.496 6.228 0.621 1.00 0.00 H new ATOM 0 HA PHE A 61 -3.253 3.570 -0.272 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.332 4.353 1.847 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.926 4.782 2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.661 1.983 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.451 3.090 3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.911 -0.264 2.631 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.697 0.846 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.929 -0.834 3.916 1.00 0.00 H new ATOM 937 N LEU A 62 -6.269 4.483 0.685 1.00 0.00 N ATOM 938 CA LEU A 62 -7.674 4.096 0.663 1.00 0.00 C ATOM 939 C LEU A 62 -8.137 3.780 -0.753 1.00 0.00 C ATOM 940 O LEU A 62 -8.936 2.868 -0.966 1.00 0.00 O ATOM 941 CB LEU A 62 -8.539 5.207 1.272 1.00 0.00 C ATOM 942 CG LEU A 62 -8.320 5.459 2.770 1.00 0.00 C ATOM 943 CD1 LEU A 62 -9.113 6.680 3.215 1.00 0.00 C ATOM 944 CD2 LEU A 62 -8.737 4.226 3.559 1.00 0.00 C ATOM 0 H LEU A 62 -6.097 5.423 1.041 1.00 0.00 H new ATOM 0 HA LEU A 62 -7.785 3.192 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.345 6.134 0.732 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.588 4.958 1.111 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.264 5.653 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.951 6.851 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -8.782 7.553 2.653 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.174 6.511 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.581 4.405 4.623 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -9.791 4.017 3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.138 3.372 3.243 1.00 0.00 H new ATOM 956 N LYS A 63 -7.632 4.539 -1.718 1.00 0.00 N ATOM 957 CA LYS A 63 -7.965 4.318 -3.121 1.00 0.00 C ATOM 958 C LYS A 63 -7.108 3.211 -3.722 1.00 0.00 C ATOM 959 O LYS A 63 -7.512 2.553 -4.681 1.00 0.00 O ATOM 960 CB LYS A 63 -7.793 5.609 -3.922 1.00 0.00 C ATOM 961 CG LYS A 63 -8.760 6.722 -3.538 1.00 0.00 C ATOM 962 CD LYS A 63 -8.526 7.972 -4.372 1.00 0.00 C ATOM 963 CE LYS A 63 -9.484 9.087 -3.981 1.00 0.00 C ATOM 964 NZ LYS A 63 -9.271 10.315 -4.793 1.00 0.00 N ATOM 0 H LYS A 63 -6.989 5.314 -1.555 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.008 4.007 -3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.773 5.970 -3.792 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.919 5.384 -4.981 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.785 6.378 -3.674 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.642 6.960 -2.481 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.498 8.311 -4.242 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.652 7.735 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.511 8.743 -4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.353 9.323 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.944 11.050 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.299 10.659 -4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.421 10.096 -5.799 1.00 0.00 H new ATOM 978 N MET A 64 -5.925 3.010 -3.153 1.00 0.00 N ATOM 979 CA MET A 64 -5.008 1.984 -3.635 1.00 0.00 C ATOM 980 C MET A 64 -5.535 0.587 -3.330 1.00 0.00 C ATOM 981 O MET A 64 -5.524 -0.293 -4.191 1.00 0.00 O ATOM 982 CB MET A 64 -3.627 2.175 -3.010 1.00 0.00 C ATOM 983 CG MET A 64 -2.607 1.115 -3.401 1.00 0.00 C ATOM 984 SD MET A 64 -2.715 -0.366 -2.377 1.00 0.00 S ATOM 985 CE MET A 64 -2.028 0.238 -0.837 1.00 0.00 C ATOM 0 H MET A 64 -5.578 3.545 -2.357 1.00 0.00 H new ATOM 0 HA MET A 64 -4.926 2.085 -4.717 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.244 3.154 -3.298 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.730 2.179 -1.925 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.756 0.841 -4.446 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.604 1.535 -3.321 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.730 -0.606 -0.216 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.158 0.860 -1.046 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.778 0.828 -0.311 1.00 0.00 H new ATOM 995 N MET A 65 -5.997 0.390 -2.100 1.00 0.00 N ATOM 996 CA MET A 65 -6.444 -0.923 -1.651 1.00 0.00 C ATOM 997 C MET A 65 -7.706 -1.356 -2.386 1.00 0.00 C ATOM 998 O MET A 65 -8.012 -2.546 -2.467 1.00 0.00 O ATOM 999 CB MET A 65 -6.688 -0.910 -0.143 1.00 0.00 C ATOM 1000 CG MET A 65 -5.423 -0.817 0.699 1.00 0.00 C ATOM 1001 SD MET A 65 -4.308 -2.209 0.434 1.00 0.00 S ATOM 1002 CE MET A 65 -5.262 -3.548 1.142 1.00 0.00 C ATOM 0 H MET A 65 -6.072 1.124 -1.396 1.00 0.00 H new ATOM 0 HA MET A 65 -5.658 -1.643 -1.878 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.335 -0.067 0.101 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.228 -1.816 0.133 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.902 0.111 0.463 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.696 -0.771 1.753 1.00 0.00 H new ATOM 0 HE1 MET A 65 -4.616 -4.412 1.298 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.681 -3.231 2.097 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.070 -3.818 0.463 1.00 0.00 H new ATOM 1012 N GLU A 66 -8.437 -0.384 -2.920 1.00 0.00 N ATOM 1013 CA GLU A 66 -9.599 -0.668 -3.754 1.00 0.00 C ATOM 1014 C GLU A 66 -9.197 -1.401 -5.027 1.00 0.00 C ATOM 1015 O GLU A 66 -10.002 -2.113 -5.625 1.00 0.00 O ATOM 1016 CB GLU A 66 -10.337 0.627 -4.103 1.00 0.00 C ATOM 1017 CG GLU A 66 -11.092 1.254 -2.940 1.00 0.00 C ATOM 1018 CD GLU A 66 -11.664 2.592 -3.317 1.00 0.00 C ATOM 1019 OE1 GLU A 66 -11.406 3.040 -4.409 1.00 0.00 O ATOM 1020 OE2 GLU A 66 -12.448 3.115 -2.561 1.00 0.00 O ATOM 0 H GLU A 66 -8.245 0.609 -2.790 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.268 -1.314 -3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.616 1.350 -4.484 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.041 0.423 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.896 0.589 -2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.421 1.370 -2.089 1.00 0.00 H new