USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 369 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 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.0088) USER MOD Single : A 725 LYS NZ :NH3+ -165:sc= 2.35 (180deg=2.11) USER MOD Single : A 729 LYS NZ :NH3+ 176:sc= -0.11 (180deg=-0.19) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -34:sc= 0.0243 USER MOD Single : A 743 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.2) USER MOD Single : A 744 ASN : amide:sc= 0.921 K(o=0.92,f=-0.57) USER MOD Single : A 748 LYS NZ :NH3+ -144:sc= -0.013 (180deg=-0.265) USER MOD Single : A 751 THR OG1 : rot -118:sc= 0.395 USER MOD Single : A 752 SER OG : rot -160:sc= 0 USER MOD Single : A 753 THR OG1 : rot 72:sc= 0.696 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 756 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 759 TYR OH : rot 180:sc= 0 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 717 2.694 -3.747 -0.375 1.00 25.31 N ATOM 24 CA LEU A 717 3.526 -4.941 -0.285 1.00 35.42 C ATOM 25 C LEU A 717 3.400 -5.794 -1.532 1.00 75.01 C ATOM 26 O LEU A 717 4.379 -6.347 -2.008 1.00 71.43 O ATOM 27 CB LEU A 717 3.157 -5.769 0.925 1.00 60.33 C ATOM 28 CG LEU A 717 4.022 -7.003 1.152 1.00 25.12 C ATOM 29 CD1 LEU A 717 5.384 -6.620 1.716 1.00 1.32 C ATOM 30 CD2 LEU A 717 3.324 -7.997 2.039 1.00 12.02 C ATOM 0 HA LEU A 717 4.559 -4.606 -0.188 1.00 35.42 H new ATOM 0 HB2 LEU A 717 3.215 -5.136 1.810 1.00 60.33 H new ATOM 0 HB3 LEU A 717 2.119 -6.085 0.827 1.00 60.33 H new ATOM 0 HG LEU A 717 4.186 -7.480 0.186 1.00 25.12 H new ATOM 0 HD11 LEU A 717 5.981 -7.519 1.868 1.00 1.32 H new ATOM 0 HD12 LEU A 717 5.895 -5.960 1.016 1.00 1.32 H new ATOM 0 HD13 LEU A 717 5.252 -6.106 2.668 1.00 1.32 H new ATOM 0 HD21 LEU A 717 3.964 -8.867 2.184 1.00 12.02 H new ATOM 0 HD22 LEU A 717 3.112 -7.537 3.004 1.00 12.02 H new ATOM 0 HD23 LEU A 717 2.389 -8.308 1.572 1.00 12.02 H new ATOM 42 N LEU A 718 2.190 -5.881 -2.064 1.00 33.21 N ATOM 43 CA LEU A 718 1.925 -6.690 -3.263 1.00 62.43 C ATOM 44 C LEU A 718 2.743 -6.188 -4.438 1.00 43.02 C ATOM 45 O LEU A 718 3.057 -6.942 -5.361 1.00 53.04 O ATOM 46 CB LEU A 718 0.444 -6.635 -3.622 1.00 64.42 C ATOM 47 CG LEU A 718 -0.531 -7.077 -2.542 1.00 21.30 C ATOM 48 CD1 LEU A 718 -1.954 -6.885 -3.020 1.00 42.43 C ATOM 49 CD2 LEU A 718 -0.284 -8.528 -2.152 1.00 70.03 C ATOM 0 H LEU A 718 1.370 -5.404 -1.690 1.00 33.21 H new ATOM 0 HA LEU A 718 2.208 -7.720 -3.045 1.00 62.43 H new ATOM 0 HB2 LEU A 718 0.199 -5.611 -3.905 1.00 64.42 H new ATOM 0 HB3 LEU A 718 0.283 -7.257 -4.503 1.00 64.42 H new ATOM 0 HG LEU A 718 -0.374 -6.461 -1.656 1.00 21.30 H new ATOM 0 HD11 LEU A 718 -2.646 -7.204 -2.240 1.00 42.43 H new ATOM 0 HD12 LEU A 718 -2.123 -5.832 -3.246 1.00 42.43 H new ATOM 0 HD13 LEU A 718 -2.120 -7.480 -3.918 1.00 42.43 H new ATOM 0 HD21 LEU A 718 -0.993 -8.822 -1.378 1.00 70.03 H new ATOM 0 HD22 LEU A 718 -0.414 -9.167 -3.026 1.00 70.03 H new ATOM 0 HD23 LEU A 718 0.732 -8.635 -1.773 1.00 70.03 H new ATOM 61 N ILE A 719 3.083 -4.930 -4.392 1.00 41.14 N ATOM 62 CA ILE A 719 3.825 -4.292 -5.431 1.00 71.11 C ATOM 63 C ILE A 719 5.321 -4.265 -5.097 1.00 20.24 C ATOM 64 O ILE A 719 6.172 -4.364 -5.987 1.00 31.31 O ATOM 65 CB ILE A 719 3.308 -2.842 -5.646 1.00 22.52 C ATOM 66 CG1 ILE A 719 1.824 -2.864 -6.072 1.00 21.23 C ATOM 67 CG2 ILE A 719 4.158 -2.091 -6.666 1.00 5.31 C ATOM 68 CD1 ILE A 719 1.562 -3.620 -7.364 1.00 1.44 C ATOM 0 H ILE A 719 2.846 -4.313 -3.615 1.00 41.14 H new ATOM 0 HA ILE A 719 3.685 -4.864 -6.348 1.00 71.11 H new ATOM 0 HB ILE A 719 3.392 -2.308 -4.699 1.00 22.52 H new ATOM 0 HG12 ILE A 719 1.234 -3.315 -5.274 1.00 21.23 H new ATOM 0 HG13 ILE A 719 1.474 -1.838 -6.186 1.00 21.23 H new ATOM 0 HG21 ILE A 719 3.768 -1.081 -6.791 1.00 5.31 H new ATOM 0 HG22 ILE A 719 5.189 -2.041 -6.314 1.00 5.31 H new ATOM 0 HG23 ILE A 719 4.126 -2.614 -7.622 1.00 5.31 H new ATOM 0 HD11 ILE A 719 0.497 -3.589 -7.594 1.00 1.44 H new ATOM 0 HD12 ILE A 719 2.122 -3.157 -8.176 1.00 1.44 H new ATOM 0 HD13 ILE A 719 1.878 -4.657 -7.249 1.00 1.44 H new ATOM 80 N THR A 720 5.637 -4.172 -3.811 1.00 1.24 N ATOM 81 CA THR A 720 7.010 -4.034 -3.386 1.00 30.04 C ATOM 82 C THR A 720 7.800 -5.333 -3.631 1.00 13.12 C ATOM 83 O THR A 720 9.013 -5.331 -3.633 1.00 33.52 O ATOM 84 CB THR A 720 7.118 -3.596 -1.887 1.00 71.31 C ATOM 85 OG1 THR A 720 8.386 -2.969 -1.646 1.00 55.24 O ATOM 86 CG2 THR A 720 6.976 -4.791 -0.956 1.00 61.13 C ATOM 0 H THR A 720 4.957 -4.190 -3.051 1.00 1.24 H new ATOM 0 HA THR A 720 7.453 -3.243 -3.991 1.00 30.04 H new ATOM 0 HB THR A 720 6.310 -2.892 -1.688 1.00 71.31 H new ATOM 0 HG1 THR A 720 8.443 -2.697 -0.706 1.00 55.24 H new ATOM 0 HG21 THR A 720 7.055 -4.458 0.079 1.00 61.13 H new ATOM 0 HG22 THR A 720 6.005 -5.261 -1.113 1.00 61.13 H new ATOM 0 HG23 THR A 720 7.766 -5.512 -1.166 1.00 61.13 H new ATOM 94 N ILE A 721 7.078 -6.432 -3.842 1.00 71.34 N ATOM 95 CA ILE A 721 7.688 -7.711 -4.160 1.00 35.20 C ATOM 96 C ILE A 721 8.494 -7.608 -5.455 1.00 42.21 C ATOM 97 O ILE A 721 9.552 -8.231 -5.597 1.00 14.33 O ATOM 98 CB ILE A 721 6.610 -8.817 -4.321 1.00 61.22 C ATOM 99 CG1 ILE A 721 5.770 -8.955 -3.039 1.00 0.12 C ATOM 100 CG2 ILE A 721 7.250 -10.157 -4.697 1.00 42.23 C ATOM 101 CD1 ILE A 721 6.580 -9.305 -1.797 1.00 61.30 C ATOM 0 H ILE A 721 6.059 -6.456 -3.797 1.00 71.34 H new ATOM 0 HA ILE A 721 8.349 -7.977 -3.335 1.00 35.20 H new ATOM 0 HB ILE A 721 5.945 -8.521 -5.133 1.00 61.22 H new ATOM 0 HG12 ILE A 721 5.241 -8.019 -2.862 1.00 0.12 H new ATOM 0 HG13 ILE A 721 5.014 -9.724 -3.195 1.00 0.12 H new ATOM 0 HG21 ILE A 721 6.473 -10.914 -4.804 1.00 42.23 H new ATOM 0 HG22 ILE A 721 7.786 -10.052 -5.640 1.00 42.23 H new ATOM 0 HG23 ILE A 721 7.947 -10.460 -3.915 1.00 42.23 H new ATOM 0 HD11 ILE A 721 5.913 -9.384 -0.938 1.00 61.30 H new ATOM 0 HD12 ILE A 721 7.088 -10.257 -1.950 1.00 61.30 H new ATOM 0 HD13 ILE A 721 7.319 -8.525 -1.613 1.00 61.30 H new ATOM 113 N HIS A 722 8.001 -6.809 -6.384 1.00 13.54 N ATOM 114 CA HIS A 722 8.669 -6.621 -7.645 1.00 53.11 C ATOM 115 C HIS A 722 9.967 -5.881 -7.430 1.00 4.32 C ATOM 116 O HIS A 722 11.001 -6.230 -8.005 1.00 30.22 O ATOM 117 CB HIS A 722 7.775 -5.852 -8.616 1.00 32.32 C ATOM 118 CG HIS A 722 7.960 -6.264 -10.029 1.00 72.44 C ATOM 119 ND1 HIS A 722 8.164 -5.379 -11.066 1.00 41.41 N ATOM 120 CD2 HIS A 722 7.952 -7.487 -10.583 1.00 30.13 C ATOM 121 CE1 HIS A 722 8.271 -6.046 -12.191 1.00 53.31 C ATOM 122 NE2 HIS A 722 8.148 -7.326 -11.927 1.00 21.44 N ATOM 0 H HIS A 722 7.135 -6.280 -6.281 1.00 13.54 H new ATOM 0 HA HIS A 722 8.883 -7.598 -8.078 1.00 53.11 H new ATOM 0 HB2 HIS A 722 6.732 -5.999 -8.335 1.00 32.32 H new ATOM 0 HB3 HIS A 722 7.982 -4.786 -8.525 1.00 32.32 H new ATOM 0 HD2 HIS A 722 7.816 -8.424 -10.064 1.00 30.13 H new ATOM 0 HE1 HIS A 722 8.433 -5.615 -13.168 1.00 53.31 H new ATOM 0 HE2 HIS A 722 8.192 -8.079 -12.614 1.00 21.44 H new ATOM 131 N ASP A 723 9.921 -4.884 -6.567 1.00 41.31 N ATOM 132 CA ASP A 723 11.104 -4.105 -6.232 1.00 31.05 C ATOM 133 C ASP A 723 12.009 -4.895 -5.334 1.00 24.02 C ATOM 134 O ASP A 723 13.177 -4.637 -5.248 1.00 24.32 O ATOM 135 CB ASP A 723 10.717 -2.808 -5.534 1.00 14.33 C ATOM 136 CG ASP A 723 9.919 -1.883 -6.402 1.00 41.11 C ATOM 137 OD1 ASP A 723 8.679 -1.979 -6.399 1.00 1.42 O ATOM 138 OD2 ASP A 723 10.527 -1.040 -7.095 1.00 33.52 O ATOM 0 H ASP A 723 9.073 -4.591 -6.081 1.00 41.31 H new ATOM 0 HA ASP A 723 11.624 -3.869 -7.160 1.00 31.05 H new ATOM 0 HB2 ASP A 723 10.141 -3.043 -4.639 1.00 14.33 H new ATOM 0 HB3 ASP A 723 11.622 -2.297 -5.205 1.00 14.33 H new ATOM 143 N ARG A 724 11.452 -5.861 -4.679 1.00 42.21 N ATOM 144 CA ARG A 724 12.189 -6.737 -3.836 1.00 74.24 C ATOM 145 C ARG A 724 13.146 -7.589 -4.661 1.00 55.13 C ATOM 146 O ARG A 724 14.222 -7.951 -4.211 1.00 12.22 O ATOM 147 CB ARG A 724 11.221 -7.606 -3.044 1.00 10.41 C ATOM 148 CG ARG A 724 11.849 -8.719 -2.267 1.00 72.43 C ATOM 149 CD ARG A 724 10.815 -9.436 -1.447 1.00 52.14 C ATOM 150 NE ARG A 724 10.387 -8.644 -0.284 1.00 0.03 N ATOM 151 CZ ARG A 724 9.792 -9.157 0.804 1.00 54.04 C ATOM 152 NH1 ARG A 724 9.539 -10.461 0.874 1.00 54.44 N ATOM 153 NH2 ARG A 724 9.441 -8.362 1.813 1.00 74.44 N ATOM 0 H ARG A 724 10.453 -6.065 -4.717 1.00 42.21 H new ATOM 0 HA ARG A 724 12.788 -6.153 -3.137 1.00 74.24 H new ATOM 0 HB2 ARG A 724 10.669 -6.969 -2.353 1.00 10.41 H new ATOM 0 HB3 ARG A 724 10.493 -8.033 -3.734 1.00 10.41 H new ATOM 0 HG2 ARG A 724 12.331 -9.420 -2.949 1.00 72.43 H new ATOM 0 HG3 ARG A 724 12.627 -8.322 -1.615 1.00 72.43 H new ATOM 0 HD2 ARG A 724 9.950 -9.661 -2.071 1.00 52.14 H new ATOM 0 HD3 ARG A 724 11.219 -10.390 -1.107 1.00 52.14 H new ATOM 0 HE ARG A 724 10.553 -7.638 -0.306 1.00 0.03 H new ATOM 0 HH11 ARG A 724 9.797 -11.073 0.100 1.00 54.44 H new ATOM 0 HH12 ARG A 724 9.087 -10.849 1.702 1.00 54.44 H new ATOM 0 HH21 ARG A 724 9.624 -7.360 1.760 1.00 74.44 H new ATOM 0 HH22 ARG A 724 8.989 -8.755 2.639 1.00 74.44 H new ATOM 167 N LYS A 725 12.761 -7.890 -5.844 1.00 10.11 N ATOM 168 CA LYS A 725 13.604 -8.640 -6.715 1.00 55.45 C ATOM 169 C LYS A 725 14.654 -7.750 -7.346 1.00 73.11 C ATOM 170 O LYS A 725 15.825 -8.095 -7.377 1.00 55.15 O ATOM 171 CB LYS A 725 12.786 -9.364 -7.773 1.00 72.00 C ATOM 172 CG LYS A 725 11.658 -10.192 -7.188 1.00 53.22 C ATOM 173 CD LYS A 725 12.175 -11.206 -6.186 1.00 15.42 C ATOM 174 CE LYS A 725 11.050 -11.757 -5.342 1.00 43.23 C ATOM 175 NZ LYS A 725 11.517 -12.802 -4.421 1.00 14.34 N ATOM 0 H LYS A 725 11.859 -7.628 -6.241 1.00 10.11 H new ATOM 0 HA LYS A 725 14.120 -9.395 -6.122 1.00 55.45 H new ATOM 0 HB2 LYS A 725 12.370 -8.633 -8.466 1.00 72.00 H new ATOM 0 HB3 LYS A 725 13.444 -10.013 -8.351 1.00 72.00 H new ATOM 0 HG2 LYS A 725 10.937 -9.535 -6.703 1.00 53.22 H new ATOM 0 HG3 LYS A 725 11.130 -10.708 -7.990 1.00 53.22 H new ATOM 0 HD2 LYS A 725 12.672 -12.021 -6.712 1.00 15.42 H new ATOM 0 HD3 LYS A 725 12.921 -10.739 -5.543 1.00 15.42 H new ATOM 0 HE2 LYS A 725 10.594 -10.948 -4.772 1.00 43.23 H new ATOM 0 HE3 LYS A 725 10.275 -12.165 -5.991 1.00 43.23 H new ATOM 0 HZ1 LYS A 725 10.700 -13.327 -4.048 1.00 14.34 H new ATOM 0 HZ2 LYS A 725 12.146 -13.456 -4.929 1.00 14.34 H new ATOM 0 HZ3 LYS A 725 12.036 -12.364 -3.633 1.00 14.34 H new ATOM 189 N GLU A 726 14.232 -6.614 -7.848 1.00 72.42 N ATOM 190 CA GLU A 726 15.142 -5.711 -8.492 1.00 52.42 C ATOM 191 C GLU A 726 16.001 -4.917 -7.467 1.00 74.33 C ATOM 192 O GLU A 726 17.219 -5.080 -7.406 1.00 12.40 O ATOM 193 CB GLU A 726 14.395 -4.762 -9.425 1.00 13.12 C ATOM 194 CG GLU A 726 15.303 -3.968 -10.339 1.00 53.55 C ATOM 195 CD GLU A 726 16.201 -4.861 -11.166 1.00 31.22 C ATOM 196 OE1 GLU A 726 15.741 -5.376 -12.214 1.00 64.04 O ATOM 197 OE2 GLU A 726 17.369 -5.065 -10.774 1.00 24.33 O ATOM 0 H GLU A 726 13.263 -6.297 -7.821 1.00 72.42 H new ATOM 0 HA GLU A 726 15.827 -6.314 -9.088 1.00 52.42 H new ATOM 0 HB2 GLU A 726 13.697 -5.338 -10.032 1.00 13.12 H new ATOM 0 HB3 GLU A 726 13.802 -4.071 -8.827 1.00 13.12 H new ATOM 0 HG2 GLU A 726 14.698 -3.349 -11.002 1.00 53.55 H new ATOM 0 HG3 GLU A 726 15.915 -3.292 -9.743 1.00 53.55 H new ATOM 204 N PHE A 727 15.352 -4.105 -6.665 1.00 35.11 N ATOM 205 CA PHE A 727 16.045 -3.190 -5.768 1.00 53.53 C ATOM 206 C PHE A 727 16.552 -3.871 -4.521 1.00 60.33 C ATOM 207 O PHE A 727 17.682 -3.684 -4.143 1.00 34.03 O ATOM 208 CB PHE A 727 15.159 -2.020 -5.385 1.00 32.25 C ATOM 209 CG PHE A 727 15.841 -1.033 -4.473 1.00 11.25 C ATOM 210 CD1 PHE A 727 16.653 -0.050 -4.987 1.00 60.35 C ATOM 211 CD2 PHE A 727 15.665 -1.098 -3.102 1.00 53.12 C ATOM 212 CE1 PHE A 727 17.277 0.854 -4.159 1.00 73.11 C ATOM 213 CE2 PHE A 727 16.285 -0.201 -2.268 1.00 61.00 C ATOM 214 CZ PHE A 727 17.093 0.779 -2.796 1.00 73.42 C ATOM 0 H PHE A 727 14.335 -4.055 -6.611 1.00 35.11 H new ATOM 0 HA PHE A 727 16.909 -2.822 -6.321 1.00 53.53 H new ATOM 0 HB2 PHE A 727 14.836 -1.506 -6.290 1.00 32.25 H new ATOM 0 HB3 PHE A 727 14.261 -2.397 -4.895 1.00 32.25 H new ATOM 0 HD1 PHE A 727 16.803 0.013 -6.055 1.00 60.35 H new ATOM 0 HD2 PHE A 727 15.031 -1.865 -2.682 1.00 53.12 H new ATOM 0 HE1 PHE A 727 17.911 1.622 -4.577 1.00 73.11 H new ATOM 0 HE2 PHE A 727 16.139 -0.265 -1.200 1.00 61.00 H new ATOM 0 HZ PHE A 727 17.582 1.488 -2.144 1.00 73.42 H new ATOM 224 N ALA A 728 15.707 -4.644 -3.874 1.00 42.23 N ATOM 225 CA ALA A 728 16.094 -5.299 -2.620 1.00 43.14 C ATOM 226 C ALA A 728 17.296 -6.178 -2.815 1.00 64.04 C ATOM 227 O ALA A 728 18.122 -6.299 -1.938 1.00 11.25 O ATOM 228 CB ALA A 728 14.961 -6.082 -2.039 1.00 62.30 C ATOM 0 H ALA A 728 14.755 -4.840 -4.182 1.00 42.23 H new ATOM 0 HA ALA A 728 16.357 -4.513 -1.912 1.00 43.14 H new ATOM 0 HB1 ALA A 728 15.283 -6.554 -1.111 1.00 62.30 H new ATOM 0 HB2 ALA A 728 14.124 -5.414 -1.835 1.00 62.30 H new ATOM 0 HB3 ALA A 728 14.649 -6.850 -2.747 1.00 62.30 H new ATOM 234 N LYS A 729 17.401 -6.779 -3.985 1.00 74.30 N ATOM 235 CA LYS A 729 18.546 -7.587 -4.313 1.00 13.32 C ATOM 236 C LYS A 729 19.843 -6.758 -4.288 1.00 70.50 C ATOM 237 O LYS A 729 20.932 -7.297 -4.082 1.00 4.25 O ATOM 238 CB LYS A 729 18.358 -8.264 -5.672 1.00 30.43 C ATOM 239 CG LYS A 729 19.527 -9.156 -6.115 1.00 44.34 C ATOM 240 CD LYS A 729 19.858 -10.221 -5.067 1.00 51.34 C ATOM 241 CE LYS A 729 18.666 -11.117 -4.777 1.00 71.40 C ATOM 242 NZ LYS A 729 18.197 -11.825 -5.985 1.00 34.50 N ATOM 0 H LYS A 729 16.700 -6.718 -4.723 1.00 74.30 H new ATOM 0 HA LYS A 729 18.636 -8.363 -3.553 1.00 13.32 H new ATOM 0 HB2 LYS A 729 17.451 -8.868 -5.639 1.00 30.43 H new ATOM 0 HB3 LYS A 729 18.201 -7.494 -6.427 1.00 30.43 H new ATOM 0 HG2 LYS A 729 19.277 -9.640 -7.059 1.00 44.34 H new ATOM 0 HG3 LYS A 729 20.407 -8.539 -6.296 1.00 44.34 H new ATOM 0 HD2 LYS A 729 20.693 -10.828 -5.417 1.00 51.34 H new ATOM 0 HD3 LYS A 729 20.181 -9.736 -4.146 1.00 51.34 H new ATOM 0 HE2 LYS A 729 18.938 -11.845 -4.013 1.00 71.40 H new ATOM 0 HE3 LYS A 729 17.852 -10.517 -4.370 1.00 71.40 H new ATOM 0 HZ1 LYS A 729 17.427 -12.476 -5.729 1.00 34.50 H new ATOM 0 HZ2 LYS A 729 17.850 -11.133 -6.680 1.00 34.50 H new ATOM 0 HZ3 LYS A 729 18.984 -12.365 -6.398 1.00 34.50 H new ATOM 256 N PHE A 730 19.717 -5.458 -4.482 1.00 5.14 N ATOM 257 CA PHE A 730 20.864 -4.587 -4.461 1.00 41.23 C ATOM 258 C PHE A 730 21.378 -4.500 -3.059 1.00 62.31 C ATOM 259 O PHE A 730 22.564 -4.725 -2.797 1.00 73.45 O ATOM 260 CB PHE A 730 20.476 -3.193 -4.937 1.00 61.11 C ATOM 261 CG PHE A 730 21.587 -2.446 -5.627 1.00 41.31 C ATOM 262 CD1 PHE A 730 22.615 -1.875 -4.899 1.00 20.22 C ATOM 263 CD2 PHE A 730 21.596 -2.316 -7.004 1.00 11.54 C ATOM 264 CE1 PHE A 730 23.632 -1.186 -5.528 1.00 74.41 C ATOM 265 CE2 PHE A 730 22.611 -1.628 -7.641 1.00 42.34 C ATOM 266 CZ PHE A 730 23.630 -1.063 -6.903 1.00 15.03 C ATOM 0 H PHE A 730 18.829 -4.988 -4.656 1.00 5.14 H new ATOM 0 HA PHE A 730 21.632 -4.987 -5.123 1.00 41.23 H new ATOM 0 HB2 PHE A 730 19.630 -3.276 -5.620 1.00 61.11 H new ATOM 0 HB3 PHE A 730 20.138 -2.610 -4.081 1.00 61.11 H new ATOM 0 HD1 PHE A 730 22.622 -1.970 -3.823 1.00 20.22 H new ATOM 0 HD2 PHE A 730 20.801 -2.757 -7.587 1.00 11.54 H new ATOM 0 HE1 PHE A 730 24.427 -0.744 -4.946 1.00 74.41 H new ATOM 0 HE2 PHE A 730 22.606 -1.533 -8.717 1.00 42.34 H new ATOM 0 HZ PHE A 730 24.424 -0.526 -7.400 1.00 15.03 H new ATOM 276 N GLU A 731 20.482 -4.198 -2.147 1.00 43.21 N ATOM 277 CA GLU A 731 20.834 -4.054 -0.780 1.00 24.33 C ATOM 278 C GLU A 731 21.172 -5.408 -0.144 1.00 71.43 C ATOM 279 O GLU A 731 21.971 -5.476 0.763 1.00 2.14 O ATOM 280 CB GLU A 731 19.737 -3.336 -0.001 1.00 0.30 C ATOM 281 CG GLU A 731 18.470 -4.142 0.198 1.00 1.32 C ATOM 282 CD GLU A 731 17.541 -3.510 1.182 1.00 54.43 C ATOM 283 OE1 GLU A 731 16.707 -2.693 0.780 1.00 63.13 O ATOM 284 OE2 GLU A 731 17.643 -3.827 2.381 1.00 20.34 O ATOM 0 H GLU A 731 19.493 -4.048 -2.347 1.00 43.21 H new ATOM 0 HA GLU A 731 21.731 -3.437 -0.734 1.00 24.33 H new ATOM 0 HB2 GLU A 731 20.129 -3.054 0.976 1.00 0.30 H new ATOM 0 HB3 GLU A 731 19.486 -2.412 -0.522 1.00 0.30 H new ATOM 0 HG2 GLU A 731 17.960 -4.254 -0.759 1.00 1.32 H new ATOM 0 HG3 GLU A 731 18.730 -5.144 0.540 1.00 1.32 H new ATOM 291 N GLU A 732 20.546 -6.491 -0.652 1.00 64.25 N ATOM 292 CA GLU A 732 20.820 -7.855 -0.163 1.00 54.02 C ATOM 293 C GLU A 732 22.290 -8.163 -0.186 1.00 4.34 C ATOM 294 O GLU A 732 22.789 -8.812 0.693 1.00 60.53 O ATOM 295 CB GLU A 732 20.050 -8.916 -0.961 1.00 75.42 C ATOM 296 CG GLU A 732 18.591 -9.063 -0.568 1.00 72.53 C ATOM 297 CD GLU A 732 17.905 -10.200 -1.298 1.00 31.41 C ATOM 298 OE1 GLU A 732 18.194 -11.376 -0.980 1.00 4.01 O ATOM 299 OE2 GLU A 732 17.065 -9.926 -2.181 1.00 45.21 O ATOM 0 H GLU A 732 19.851 -6.446 -1.397 1.00 64.25 H new ATOM 0 HA GLU A 732 20.473 -7.889 0.870 1.00 54.02 H new ATOM 0 HB2 GLU A 732 20.104 -8.666 -2.021 1.00 75.42 H new ATOM 0 HB3 GLU A 732 20.546 -9.878 -0.835 1.00 75.42 H new ATOM 0 HG2 GLU A 732 18.523 -9.232 0.507 1.00 72.53 H new ATOM 0 HG3 GLU A 732 18.066 -8.131 -0.778 1.00 72.53 H new ATOM 306 N GLU A 733 22.977 -7.675 -1.196 1.00 42.34 N ATOM 307 CA GLU A 733 24.417 -7.880 -1.313 1.00 12.30 C ATOM 308 C GLU A 733 25.156 -7.395 -0.055 1.00 53.33 C ATOM 309 O GLU A 733 25.924 -8.139 0.542 1.00 14.44 O ATOM 310 CB GLU A 733 24.955 -7.181 -2.550 1.00 13.34 C ATOM 311 CG GLU A 733 24.390 -7.720 -3.838 1.00 61.11 C ATOM 312 CD GLU A 733 24.918 -7.006 -5.052 1.00 62.24 C ATOM 313 OE1 GLU A 733 24.393 -5.927 -5.390 1.00 42.22 O ATOM 314 OE2 GLU A 733 25.863 -7.527 -5.693 1.00 40.11 O ATOM 0 H GLU A 733 22.566 -7.130 -1.954 1.00 42.34 H new ATOM 0 HA GLU A 733 24.595 -8.951 -1.411 1.00 12.30 H new ATOM 0 HB2 GLU A 733 24.732 -6.116 -2.482 1.00 13.34 H new ATOM 0 HB3 GLU A 733 26.040 -7.279 -2.570 1.00 13.34 H new ATOM 0 HG2 GLU A 733 24.625 -8.782 -3.916 1.00 61.11 H new ATOM 0 HG3 GLU A 733 23.304 -7.635 -3.816 1.00 61.11 H new ATOM 321 N ARG A 734 24.900 -6.161 0.339 1.00 2.21 N ATOM 322 CA ARG A 734 25.546 -5.577 1.519 1.00 54.04 C ATOM 323 C ARG A 734 24.878 -6.039 2.828 1.00 5.34 C ATOM 324 O ARG A 734 25.524 -6.133 3.868 1.00 4.31 O ATOM 325 CB ARG A 734 25.611 -4.011 1.416 1.00 63.43 C ATOM 326 CG ARG A 734 24.274 -3.306 1.094 1.00 73.23 C ATOM 327 CD ARG A 734 23.368 -3.166 2.324 1.00 63.11 C ATOM 328 NE ARG A 734 23.889 -2.195 3.302 1.00 33.30 N ATOM 329 CZ ARG A 734 23.132 -1.586 4.235 1.00 54.10 C ATOM 330 NH1 ARG A 734 21.844 -1.876 4.339 1.00 33.22 N ATOM 331 NH2 ARG A 734 23.673 -0.699 5.056 1.00 0.31 N ATOM 0 H ARG A 734 24.249 -5.536 -0.136 1.00 2.21 H new ATOM 0 HA ARG A 734 26.572 -5.945 1.544 1.00 54.04 H new ATOM 0 HB2 ARG A 734 25.990 -3.618 2.360 1.00 63.43 H new ATOM 0 HB3 ARG A 734 26.336 -3.745 0.646 1.00 63.43 H new ATOM 0 HG2 ARG A 734 24.479 -2.317 0.684 1.00 73.23 H new ATOM 0 HG3 ARG A 734 23.748 -3.868 0.322 1.00 73.23 H new ATOM 0 HD2 ARG A 734 22.373 -2.857 2.005 1.00 63.11 H new ATOM 0 HD3 ARG A 734 23.261 -4.138 2.804 1.00 63.11 H new ATOM 0 HE ARG A 734 24.883 -1.970 3.271 1.00 33.30 H new ATOM 0 HH11 ARG A 734 21.423 -2.562 3.712 1.00 33.22 H new ATOM 0 HH12 ARG A 734 21.273 -1.414 5.046 1.00 33.22 H new ATOM 0 HH21 ARG A 734 24.665 -0.475 4.983 1.00 0.31 H new ATOM 0 HH22 ARG A 734 23.097 -0.239 5.761 1.00 0.31 H new ATOM 345 N ALA A 735 23.597 -6.336 2.754 1.00 71.22 N ATOM 346 CA ALA A 735 22.839 -6.762 3.912 1.00 50.21 C ATOM 347 C ALA A 735 23.187 -8.183 4.292 1.00 62.32 C ATOM 348 O ALA A 735 23.512 -8.462 5.426 1.00 60.44 O ATOM 349 CB ALA A 735 21.353 -6.634 3.640 1.00 11.32 C ATOM 0 H ALA A 735 23.053 -6.289 1.892 1.00 71.22 H new ATOM 0 HA ALA A 735 23.100 -6.115 4.750 1.00 50.21 H new ATOM 0 HB1 ALA A 735 20.793 -6.957 4.518 1.00 11.32 H new ATOM 0 HB2 ALA A 735 21.112 -5.594 3.418 1.00 11.32 H new ATOM 0 HB3 ALA A 735 21.084 -7.258 2.788 1.00 11.32 H new ATOM 355 N ARG A 736 23.142 -9.065 3.326 1.00 64.23 N ATOM 356 CA ARG A 736 23.436 -10.477 3.543 1.00 12.21 C ATOM 357 C ARG A 736 24.936 -10.684 3.810 1.00 71.03 C ATOM 358 O ARG A 736 25.361 -11.729 4.295 1.00 12.11 O ATOM 359 CB ARG A 736 22.994 -11.292 2.325 1.00 71.22 C ATOM 360 CG ARG A 736 23.176 -12.764 2.468 1.00 71.45 C ATOM 361 CD ARG A 736 22.797 -13.488 1.207 1.00 44.42 C ATOM 362 NE ARG A 736 23.042 -14.913 1.320 1.00 43.40 N ATOM 363 CZ ARG A 736 23.251 -15.734 0.293 1.00 71.33 C ATOM 364 NH1 ARG A 736 23.239 -15.263 -0.962 1.00 1.35 N ATOM 365 NH2 ARG A 736 23.474 -17.028 0.511 1.00 42.44 N ATOM 0 H ARG A 736 22.901 -8.834 2.362 1.00 64.23 H new ATOM 0 HA ARG A 736 22.885 -10.819 4.419 1.00 12.21 H new ATOM 0 HB2 ARG A 736 21.942 -11.086 2.128 1.00 71.22 H new ATOM 0 HB3 ARG A 736 23.554 -10.952 1.454 1.00 71.22 H new ATOM 0 HG2 ARG A 736 24.215 -12.981 2.716 1.00 71.45 H new ATOM 0 HG3 ARG A 736 22.568 -13.129 3.296 1.00 71.45 H new ATOM 0 HD2 ARG A 736 21.743 -13.315 0.989 1.00 44.42 H new ATOM 0 HD3 ARG A 736 23.366 -13.085 0.369 1.00 44.42 H new ATOM 0 HE ARG A 736 23.055 -15.317 2.257 1.00 43.40 H new ATOM 0 HH11 ARG A 736 23.069 -14.272 -1.133 1.00 1.35 H new ATOM 0 HH12 ARG A 736 23.400 -15.896 -1.746 1.00 1.35 H new ATOM 0 HH21 ARG A 736 23.485 -17.390 1.464 1.00 42.44 H new ATOM 0 HH22 ARG A 736 23.634 -17.657 -0.275 1.00 42.44 H new ATOM 379 N ALA A 737 25.713 -9.675 3.505 1.00 41.34 N ATOM 380 CA ALA A 737 27.154 -9.712 3.717 1.00 44.44 C ATOM 381 C ALA A 737 27.487 -9.627 5.195 1.00 13.30 C ATOM 382 O ALA A 737 28.567 -10.024 5.628 1.00 45.02 O ATOM 383 CB ALA A 737 27.801 -8.559 2.990 1.00 11.21 C ATOM 0 H ALA A 737 25.373 -8.802 3.103 1.00 41.34 H new ATOM 0 HA ALA A 737 27.535 -10.657 3.330 1.00 44.44 H new ATOM 0 HB1 ALA A 737 28.879 -8.587 3.149 1.00 11.21 H new ATOM 0 HB2 ALA A 737 27.589 -8.637 1.924 1.00 11.21 H new ATOM 0 HB3 ALA A 737 27.403 -7.619 3.371 1.00 11.21 H new ATOM 389 N LYS A 738 26.563 -9.125 5.953 1.00 45.42 N ATOM 390 CA LYS A 738 26.788 -8.847 7.347 1.00 5.34 C ATOM 391 C LYS A 738 25.705 -9.448 8.195 1.00 72.20 C ATOM 392 O LYS A 738 25.923 -9.785 9.355 1.00 11.04 O ATOM 393 CB LYS A 738 26.875 -7.324 7.568 1.00 75.33 C ATOM 394 CG LYS A 738 28.017 -6.652 6.802 1.00 51.12 C ATOM 395 CD LYS A 738 28.059 -5.150 7.036 1.00 32.01 C ATOM 396 CE LYS A 738 26.778 -4.476 6.580 1.00 22.35 C ATOM 397 NZ LYS A 738 26.837 -3.008 6.748 1.00 73.24 N ATOM 0 H LYS A 738 25.625 -8.893 5.626 1.00 45.42 H new ATOM 0 HA LYS A 738 27.733 -9.301 7.646 1.00 5.34 H new ATOM 0 HB2 LYS A 738 25.931 -6.868 7.268 1.00 75.33 H new ATOM 0 HB3 LYS A 738 26.999 -7.127 8.633 1.00 75.33 H new ATOM 0 HG2 LYS A 738 28.966 -7.092 7.108 1.00 51.12 H new ATOM 0 HG3 LYS A 738 27.903 -6.849 5.736 1.00 51.12 H new ATOM 0 HD2 LYS A 738 28.218 -4.951 8.096 1.00 32.01 H new ATOM 0 HD3 LYS A 738 28.906 -4.722 6.501 1.00 32.01 H new ATOM 0 HE2 LYS A 738 26.596 -4.714 5.532 1.00 22.35 H new ATOM 0 HE3 LYS A 738 25.937 -4.873 7.148 1.00 22.35 H new ATOM 0 HZ1 LYS A 738 25.943 -2.585 6.425 1.00 73.24 H new ATOM 0 HZ2 LYS A 738 26.986 -2.779 7.752 1.00 73.24 H new ATOM 0 HZ3 LYS A 738 27.624 -2.626 6.186 1.00 73.24 H new ATOM 411 N TRP A 739 24.534 -9.590 7.613 1.00 63.14 N ATOM 412 CA TRP A 739 23.377 -10.096 8.301 1.00 1.44 C ATOM 413 C TRP A 739 22.651 -11.070 7.414 1.00 40.42 C ATOM 414 O TRP A 739 21.430 -10.971 7.211 1.00 41.12 O ATOM 415 CB TRP A 739 22.458 -8.933 8.685 1.00 21.20 C ATOM 416 CG TRP A 739 23.175 -7.859 9.443 1.00 61.12 C ATOM 417 CD1 TRP A 739 23.988 -6.900 8.916 1.00 30.20 C ATOM 418 CD2 TRP A 739 23.156 -7.639 10.851 1.00 52.21 C ATOM 419 NE1 TRP A 739 24.503 -6.129 9.899 1.00 4.31 N ATOM 420 CE2 TRP A 739 23.996 -6.543 11.105 1.00 63.33 C ATOM 421 CE3 TRP A 739 22.512 -8.261 11.925 1.00 1.41 C ATOM 422 CZ2 TRP A 739 24.215 -6.053 12.390 1.00 11.05 C ATOM 423 CZ3 TRP A 739 22.728 -7.774 13.198 1.00 75.21 C ATOM 424 CH2 TRP A 739 23.572 -6.679 13.422 1.00 11.31 C ATOM 0 H TRP A 739 24.362 -9.353 6.636 1.00 63.14 H new ATOM 0 HA TRP A 739 23.686 -10.612 9.210 1.00 1.44 H new ATOM 0 HB2 TRP A 739 22.022 -8.506 7.782 1.00 21.20 H new ATOM 0 HB3 TRP A 739 21.633 -9.311 9.290 1.00 21.20 H new ATOM 0 HD1 TRP A 739 24.192 -6.774 7.863 1.00 30.20 H new ATOM 0 HE1 TRP A 739 25.163 -5.362 9.766 1.00 4.31 H new ATOM 0 HE3 TRP A 739 21.859 -9.105 11.762 1.00 1.41 H new ATOM 0 HZ2 TRP A 739 24.868 -5.211 12.565 1.00 11.05 H new ATOM 0 HZ3 TRP A 739 22.237 -8.246 14.037 1.00 75.21 H new ATOM 0 HH2 TRP A 739 23.718 -6.322 14.431 1.00 11.31 H new ATOM 435 N ASP A 740 23.408 -11.994 6.868 1.00 31.05 N ATOM 436 CA ASP A 740 22.872 -13.100 6.023 1.00 44.21 C ATOM 437 C ASP A 740 21.630 -13.737 6.636 1.00 31.23 C ATOM 438 O ASP A 740 20.637 -13.941 5.955 1.00 73.10 O ATOM 439 CB ASP A 740 23.958 -14.180 5.806 1.00 23.45 C ATOM 440 CG ASP A 740 23.439 -15.443 5.092 1.00 51.23 C ATOM 441 OD1 ASP A 740 22.920 -16.346 5.772 1.00 44.23 O ATOM 442 OD2 ASP A 740 23.574 -15.535 3.858 1.00 74.41 O ATOM 0 H ASP A 740 24.421 -12.022 6.983 1.00 31.05 H new ATOM 0 HA ASP A 740 22.586 -12.667 5.064 1.00 44.21 H new ATOM 0 HB2 ASP A 740 24.773 -13.752 5.222 1.00 23.45 H new ATOM 0 HB3 ASP A 740 24.374 -14.464 6.773 1.00 23.45 H new ATOM 447 N THR A 741 21.681 -14.012 7.923 1.00 11.10 N ATOM 448 CA THR A 741 20.594 -14.718 8.576 1.00 61.40 C ATOM 449 C THR A 741 19.417 -13.775 8.898 1.00 12.35 C ATOM 450 O THR A 741 18.291 -14.221 9.098 1.00 61.54 O ATOM 451 CB THR A 741 21.070 -15.459 9.887 1.00 34.55 C ATOM 452 OG1 THR A 741 20.060 -16.372 10.322 1.00 31.54 O ATOM 453 CG2 THR A 741 21.352 -14.469 11.009 1.00 1.24 C ATOM 0 H THR A 741 22.457 -13.760 8.535 1.00 11.10 H new ATOM 0 HA THR A 741 20.249 -15.473 7.869 1.00 61.40 H new ATOM 0 HB THR A 741 21.989 -15.996 9.651 1.00 34.55 H new ATOM 0 HG1 THR A 741 19.175 -16.001 10.121 1.00 31.54 H new ATOM 0 HG21 THR A 741 21.678 -15.009 11.898 1.00 1.24 H new ATOM 0 HG22 THR A 741 22.136 -13.779 10.697 1.00 1.24 H new ATOM 0 HG23 THR A 741 20.445 -13.909 11.237 1.00 1.24 H new ATOM 461 N ALA A 742 19.683 -12.484 8.917 1.00 23.42 N ATOM 462 CA ALA A 742 18.672 -11.509 9.305 1.00 35.12 C ATOM 463 C ALA A 742 17.836 -11.076 8.118 1.00 53.05 C ATOM 464 O ALA A 742 16.667 -10.715 8.263 1.00 44.31 O ATOM 465 CB ALA A 742 19.318 -10.305 9.972 1.00 32.20 C ATOM 0 H ALA A 742 20.587 -12.082 8.670 1.00 23.42 H new ATOM 0 HA ALA A 742 18.006 -11.989 10.023 1.00 35.12 H new ATOM 0 HB1 ALA A 742 18.547 -9.588 10.254 1.00 32.20 H new ATOM 0 HB2 ALA A 742 19.857 -10.628 10.863 1.00 32.20 H new ATOM 0 HB3 ALA A 742 20.014 -9.834 9.278 1.00 32.20 H new ATOM 471 N ASN A 743 18.422 -11.113 6.957 1.00 64.31 N ATOM 472 CA ASN A 743 17.722 -10.703 5.748 1.00 32.12 C ATOM 473 C ASN A 743 17.219 -11.887 4.993 1.00 73.11 C ATOM 474 O ASN A 743 16.136 -11.856 4.417 1.00 54.52 O ATOM 475 CB ASN A 743 18.634 -9.871 4.845 1.00 50.01 C ATOM 476 CG ASN A 743 19.076 -8.589 5.487 1.00 63.01 C ATOM 477 OD1 ASN A 743 18.407 -7.563 5.374 1.00 51.40 O ATOM 478 ND2 ASN A 743 20.200 -8.630 6.158 1.00 75.33 N ATOM 0 H ASN A 743 19.383 -11.421 6.809 1.00 64.31 H new ATOM 0 HA ASN A 743 16.872 -10.093 6.054 1.00 32.12 H new ATOM 0 HB2 ASN A 743 19.512 -10.461 4.580 1.00 50.01 H new ATOM 0 HB3 ASN A 743 18.110 -9.645 3.916 1.00 50.01 H new ATOM 0 HD21 ASN A 743 20.553 -7.788 6.613 1.00 75.33 H new ATOM 0 HD22 ASN A 743 20.722 -9.504 6.225 1.00 75.33 H new ATOM 485 N ASN A 744 17.980 -12.924 4.998 1.00 74.21 N ATOM 486 CA ASN A 744 17.659 -14.084 4.242 1.00 22.43 C ATOM 487 C ASN A 744 17.426 -15.257 5.165 1.00 1.32 C ATOM 488 O ASN A 744 18.236 -15.530 6.037 1.00 31.50 O ATOM 489 CB ASN A 744 18.789 -14.387 3.244 1.00 72.23 C ATOM 490 CG ASN A 744 19.021 -13.238 2.258 1.00 60.42 C ATOM 491 OD1 ASN A 744 19.823 -12.342 2.513 1.00 74.43 O ATOM 492 ND2 ASN A 744 18.327 -13.260 1.147 1.00 30.42 N ATOM 0 H ASN A 744 18.848 -12.993 5.529 1.00 74.21 H new ATOM 0 HA ASN A 744 16.742 -13.905 3.680 1.00 22.43 H new ATOM 0 HB2 ASN A 744 19.711 -14.584 3.792 1.00 72.23 H new ATOM 0 HB3 ASN A 744 18.547 -15.294 2.690 1.00 72.23 H new ATOM 0 HD21 ASN A 744 18.443 -12.517 0.458 1.00 30.42 H new ATOM 0 HD22 ASN A 744 17.671 -14.021 0.971 1.00 30.42 H new ATOM 499 N PRO A 745 16.297 -15.967 4.991 1.00 31.22 N ATOM 500 CA PRO A 745 15.920 -17.105 5.866 1.00 64.41 C ATOM 501 C PRO A 745 16.806 -18.333 5.635 1.00 62.21 C ATOM 502 O PRO A 745 16.862 -19.244 6.467 1.00 41.01 O ATOM 503 CB PRO A 745 14.479 -17.406 5.430 1.00 1.33 C ATOM 504 CG PRO A 745 14.413 -16.936 4.014 1.00 41.41 C ATOM 505 CD PRO A 745 15.281 -15.716 3.942 1.00 72.22 C ATOM 0 HA PRO A 745 16.030 -16.866 6.924 1.00 64.41 H new ATOM 0 HB2 PRO A 745 14.255 -18.470 5.506 1.00 1.33 H new ATOM 0 HB3 PRO A 745 13.757 -16.882 6.056 1.00 1.33 H new ATOM 0 HG2 PRO A 745 14.767 -17.707 3.330 1.00 41.41 H new ATOM 0 HG3 PRO A 745 13.387 -16.703 3.728 1.00 41.41 H new ATOM 0 HD2 PRO A 745 15.736 -15.602 2.958 1.00 72.22 H new ATOM 0 HD3 PRO A 745 14.715 -14.806 4.138 1.00 72.22 H new ATOM 513 N LEU A 746 17.486 -18.341 4.518 1.00 34.43 N ATOM 514 CA LEU A 746 18.348 -19.440 4.136 1.00 31.01 C ATOM 515 C LEU A 746 19.197 -19.027 2.989 1.00 33.20 C ATOM 516 O LEU A 746 20.429 -19.156 3.016 1.00 23.03 O ATOM 517 CB LEU A 746 17.503 -20.669 3.735 1.00 23.11 C ATOM 518 CG LEU A 746 18.283 -21.900 3.260 1.00 44.25 C ATOM 519 CD1 LEU A 746 19.115 -22.481 4.389 1.00 32.32 C ATOM 520 CD2 LEU A 746 17.340 -22.943 2.692 1.00 1.33 C ATOM 0 H LEU A 746 17.460 -17.580 3.839 1.00 34.43 H new ATOM 0 HA LEU A 746 18.979 -19.706 4.984 1.00 31.01 H new ATOM 0 HB2 LEU A 746 16.893 -20.959 4.590 1.00 23.11 H new ATOM 0 HB3 LEU A 746 16.818 -20.370 2.941 1.00 23.11 H new ATOM 0 HG LEU A 746 18.963 -21.588 2.467 1.00 44.25 H new ATOM 0 HD11 LEU A 746 19.659 -23.354 4.028 1.00 32.32 H new ATOM 0 HD12 LEU A 746 19.823 -21.732 4.742 1.00 32.32 H new ATOM 0 HD13 LEU A 746 18.460 -22.776 5.209 1.00 32.32 H new ATOM 0 HD21 LEU A 746 17.913 -23.809 2.360 1.00 1.33 H new ATOM 0 HD22 LEU A 746 16.631 -23.250 3.461 1.00 1.33 H new ATOM 0 HD23 LEU A 746 16.798 -22.521 1.846 1.00 1.33 H new ATOM 556 N LYS A 748 17.284 -17.341 -0.202 1.00 64.12 N ATOM 557 CA LYS A 748 16.494 -16.510 -0.997 1.00 31.14 C ATOM 558 C LYS A 748 15.102 -16.455 -0.424 1.00 2.24 C ATOM 559 O LYS A 748 14.845 -17.018 0.636 1.00 61.30 O ATOM 560 CB LYS A 748 16.446 -17.117 -2.420 1.00 24.50 C ATOM 561 CG LYS A 748 17.785 -17.155 -3.154 1.00 41.42 C ATOM 562 CD LYS A 748 18.392 -15.780 -3.316 1.00 5.12 C ATOM 563 CE LYS A 748 17.986 -15.141 -4.627 1.00 32.13 C ATOM 564 NZ LYS A 748 18.620 -15.812 -5.795 1.00 5.33 N ATOM 0 HA LYS A 748 16.906 -15.502 -1.030 1.00 31.14 H new ATOM 0 HB2 LYS A 748 16.058 -18.133 -2.352 1.00 24.50 H new ATOM 0 HB3 LYS A 748 15.737 -16.545 -3.019 1.00 24.50 H new ATOM 0 HG2 LYS A 748 18.479 -17.793 -2.606 1.00 41.42 H new ATOM 0 HG3 LYS A 748 17.645 -17.606 -4.137 1.00 41.42 H new ATOM 0 HD2 LYS A 748 18.079 -15.144 -2.488 1.00 5.12 H new ATOM 0 HD3 LYS A 748 19.478 -15.854 -3.268 1.00 5.12 H new ATOM 0 HE2 LYS A 748 16.902 -15.182 -4.730 1.00 32.13 H new ATOM 0 HE3 LYS A 748 18.265 -14.087 -4.619 1.00 32.13 H new ATOM 0 HZ1 LYS A 748 18.850 -15.103 -6.520 1.00 5.33 H new ATOM 0 HZ2 LYS A 748 19.491 -16.291 -5.490 1.00 5.33 H new ATOM 0 HZ3 LYS A 748 17.962 -16.512 -6.193 1.00 5.33 H new ATOM 578 N GLU A 749 14.226 -15.784 -1.092 1.00 1.54 N ATOM 579 CA GLU A 749 12.833 -15.835 -0.749 1.00 30.32 C ATOM 580 C GLU A 749 12.229 -17.046 -1.397 1.00 70.13 C ATOM 581 O GLU A 749 11.399 -17.737 -0.814 1.00 22.34 O ATOM 582 CB GLU A 749 12.110 -14.581 -1.233 1.00 21.11 C ATOM 583 CG GLU A 749 10.621 -14.573 -0.927 1.00 2.32 C ATOM 584 CD GLU A 749 9.901 -13.426 -1.567 1.00 52.34 C ATOM 585 OE1 GLU A 749 9.575 -13.524 -2.773 1.00 53.44 O ATOM 586 OE2 GLU A 749 9.645 -12.432 -0.886 1.00 24.34 O ATOM 0 H GLU A 749 14.447 -15.186 -1.888 1.00 1.54 H new ATOM 0 HA GLU A 749 12.730 -15.890 0.335 1.00 30.32 H new ATOM 0 HB2 GLU A 749 12.571 -13.707 -0.772 1.00 21.11 H new ATOM 0 HB3 GLU A 749 12.250 -14.485 -2.310 1.00 21.11 H new ATOM 0 HG2 GLU A 749 10.180 -15.509 -1.269 1.00 2.32 H new ATOM 0 HG3 GLU A 749 10.477 -14.529 0.153 1.00 2.32 H new ATOM 593 N ALA A 750 12.690 -17.322 -2.611 1.00 32.10 N ATOM 594 CA ALA A 750 12.197 -18.428 -3.396 1.00 74.40 C ATOM 595 C ALA A 750 12.436 -19.756 -2.712 1.00 4.41 C ATOM 596 O ALA A 750 11.696 -20.711 -2.927 1.00 52.25 O ATOM 597 CB ALA A 750 12.833 -18.425 -4.741 1.00 15.31 C ATOM 0 H ALA A 750 13.419 -16.778 -3.073 1.00 32.10 H new ATOM 0 HA ALA A 750 11.120 -18.301 -3.503 1.00 74.40 H new ATOM 0 HB1 ALA A 750 12.454 -19.264 -5.325 1.00 15.31 H new ATOM 0 HB2 ALA A 750 12.598 -17.491 -5.252 1.00 15.31 H new ATOM 0 HB3 ALA A 750 13.914 -18.518 -4.633 1.00 15.31 H new ATOM 603 N THR A 751 13.459 -19.809 -1.878 1.00 63.22 N ATOM 604 CA THR A 751 13.797 -21.016 -1.170 1.00 20.42 C ATOM 605 C THR A 751 12.730 -21.355 -0.127 1.00 23.33 C ATOM 606 O THR A 751 12.551 -22.512 0.242 1.00 21.44 O ATOM 607 CB THR A 751 15.200 -20.916 -0.499 1.00 70.52 C ATOM 608 OG1 THR A 751 15.302 -19.699 0.252 1.00 45.05 O ATOM 609 CG2 THR A 751 16.292 -20.945 -1.549 1.00 23.51 C ATOM 0 H THR A 751 14.071 -19.018 -1.678 1.00 63.22 H new ATOM 0 HA THR A 751 13.835 -21.821 -1.904 1.00 20.42 H new ATOM 0 HB THR A 751 15.321 -21.769 0.169 1.00 70.52 H new ATOM 0 HG1 THR A 751 16.019 -19.144 -0.120 1.00 45.05 H new ATOM 0 HG21 THR A 751 17.265 -20.874 -1.064 1.00 23.51 H new ATOM 0 HG22 THR A 751 16.233 -21.878 -2.110 1.00 23.51 H new ATOM 0 HG23 THR A 751 16.164 -20.104 -2.230 1.00 23.51 H new ATOM 617 N SER A 752 12.020 -20.338 0.327 1.00 64.51 N ATOM 618 CA SER A 752 10.960 -20.523 1.272 1.00 72.52 C ATOM 619 C SER A 752 9.617 -20.653 0.543 1.00 72.13 C ATOM 620 O SER A 752 8.707 -21.338 1.011 1.00 40.43 O ATOM 621 CB SER A 752 10.916 -19.344 2.235 1.00 44.34 C ATOM 622 OG SER A 752 12.214 -19.043 2.734 1.00 65.44 O ATOM 0 H SER A 752 12.169 -19.369 0.046 1.00 64.51 H new ATOM 0 HA SER A 752 11.144 -21.438 1.834 1.00 72.52 H new ATOM 0 HB2 SER A 752 10.506 -18.471 1.727 1.00 44.34 H new ATOM 0 HB3 SER A 752 10.248 -19.573 3.065 1.00 44.34 H new ATOM 0 HG SER A 752 12.134 -18.522 3.560 1.00 65.44 H new ATOM 628 N THR A 753 9.505 -19.987 -0.596 1.00 63.21 N ATOM 629 CA THR A 753 8.285 -20.002 -1.374 1.00 53.45 C ATOM 630 C THR A 753 8.098 -21.352 -2.092 1.00 52.41 C ATOM 631 O THR A 753 7.015 -21.946 -2.053 1.00 23.30 O ATOM 632 CB THR A 753 8.286 -18.864 -2.421 1.00 41.34 C ATOM 633 OG1 THR A 753 8.663 -17.634 -1.790 1.00 34.13 O ATOM 634 CG2 THR A 753 6.907 -18.704 -3.034 1.00 72.55 C ATOM 0 H THR A 753 10.254 -19.426 -1.001 1.00 63.21 H new ATOM 0 HA THR A 753 7.458 -19.853 -0.680 1.00 53.45 H new ATOM 0 HB THR A 753 8.998 -19.115 -3.207 1.00 41.34 H new ATOM 0 HG1 THR A 753 9.618 -17.658 -1.571 1.00 34.13 H new ATOM 0 HG21 THR A 753 6.926 -17.899 -3.768 1.00 72.55 H new ATOM 0 HG22 THR A 753 6.616 -19.634 -3.523 1.00 72.55 H new ATOM 0 HG23 THR A 753 6.187 -18.464 -2.252 1.00 72.55 H new ATOM 642 N PHE A 754 9.142 -21.822 -2.730 1.00 41.35 N ATOM 643 CA PHE A 754 9.087 -23.055 -3.487 1.00 24.53 C ATOM 644 C PHE A 754 10.204 -23.985 -3.058 1.00 72.51 C ATOM 645 O PHE A 754 10.894 -23.723 -2.060 1.00 71.12 O ATOM 646 CB PHE A 754 9.209 -22.769 -4.991 1.00 44.22 C ATOM 647 CG PHE A 754 8.142 -21.870 -5.547 1.00 45.34 C ATOM 648 CD1 PHE A 754 6.847 -22.321 -5.696 1.00 53.43 C ATOM 649 CD2 PHE A 754 8.442 -20.575 -5.931 1.00 73.34 C ATOM 650 CE1 PHE A 754 5.870 -21.501 -6.214 1.00 64.15 C ATOM 651 CE2 PHE A 754 7.469 -19.750 -6.450 1.00 42.30 C ATOM 652 CZ PHE A 754 6.182 -20.214 -6.592 1.00 75.20 C ATOM 0 H PHE A 754 10.053 -21.364 -2.741 1.00 41.35 H new ATOM 0 HA PHE A 754 8.126 -23.532 -3.292 1.00 24.53 H new ATOM 0 HB2 PHE A 754 10.182 -22.317 -5.183 1.00 44.22 H new ATOM 0 HB3 PHE A 754 9.185 -23.716 -5.530 1.00 44.22 H new ATOM 0 HD1 PHE A 754 6.596 -23.330 -5.403 1.00 53.43 H new ATOM 0 HD2 PHE A 754 9.451 -20.207 -5.822 1.00 73.34 H new ATOM 0 HE1 PHE A 754 4.860 -21.867 -6.324 1.00 64.15 H new ATOM 0 HE2 PHE A 754 7.716 -18.741 -6.745 1.00 42.30 H new ATOM 0 HZ PHE A 754 5.417 -19.570 -6.999 1.00 75.20 H new ATOM 662 N THR A 755 10.387 -25.062 -3.791 1.00 62.44 N ATOM 663 CA THR A 755 11.449 -25.986 -3.501 1.00 40.24 C ATOM 664 C THR A 755 12.492 -26.020 -4.651 1.00 11.41 C ATOM 665 O THR A 755 13.671 -26.302 -4.421 1.00 41.20 O ATOM 666 CB THR A 755 10.909 -27.432 -3.192 1.00 2.11 C ATOM 667 OG1 THR A 755 11.982 -28.278 -2.744 1.00 21.53 O ATOM 668 CG2 THR A 755 10.254 -28.054 -4.421 1.00 44.42 C ATOM 0 H THR A 755 9.810 -25.315 -4.593 1.00 62.44 H new ATOM 0 HA THR A 755 11.945 -25.626 -2.599 1.00 40.24 H new ATOM 0 HB THR A 755 10.158 -27.344 -2.407 1.00 2.11 H new ATOM 0 HG1 THR A 755 11.634 -29.174 -2.553 1.00 21.53 H new ATOM 0 HG21 THR A 755 9.892 -29.052 -4.174 1.00 44.42 H new ATOM 0 HG22 THR A 755 9.417 -27.433 -4.741 1.00 44.42 H new ATOM 0 HG23 THR A 755 10.984 -28.122 -5.227 1.00 44.42 H new ATOM 676 N ASN A 756 12.047 -25.702 -5.879 1.00 13.02 N ATOM 677 CA ASN A 756 12.949 -25.669 -7.050 1.00 44.23 C ATOM 678 C ASN A 756 12.318 -24.893 -8.195 1.00 23.30 C ATOM 679 O ASN A 756 11.356 -25.360 -8.817 1.00 74.20 O ATOM 680 CB ASN A 756 13.293 -27.098 -7.519 1.00 42.25 C ATOM 681 CG ASN A 756 14.254 -27.114 -8.711 1.00 73.01 C ATOM 682 OD1 ASN A 756 13.829 -27.062 -9.872 1.00 15.35 O ATOM 683 ND2 ASN A 756 15.530 -27.191 -8.433 1.00 24.45 N ATOM 0 H ASN A 756 11.077 -25.466 -6.089 1.00 13.02 H new ATOM 0 HA ASN A 756 13.868 -25.167 -6.746 1.00 44.23 H new ATOM 0 HB2 ASN A 756 13.738 -27.650 -6.691 1.00 42.25 H new ATOM 0 HB3 ASN A 756 12.374 -27.618 -7.791 1.00 42.25 H new ATOM 0 HD21 ASN A 756 16.216 -27.210 -9.188 1.00 24.45 H new ATOM 0 HD22 ASN A 756 15.839 -27.232 -7.462 1.00 24.45 H new ATOM 690 N ILE A 757 12.846 -23.715 -8.475 1.00 61.53 N ATOM 691 CA ILE A 757 12.295 -22.868 -9.532 1.00 65.45 C ATOM 692 C ILE A 757 13.326 -22.654 -10.621 1.00 33.31 C ATOM 693 O ILE A 757 14.524 -22.731 -10.372 1.00 54.40 O ATOM 694 CB ILE A 757 11.850 -21.447 -9.005 1.00 10.51 C ATOM 695 CG1 ILE A 757 11.270 -21.507 -7.591 1.00 44.21 C ATOM 696 CG2 ILE A 757 10.844 -20.807 -9.956 1.00 1.25 C ATOM 697 CD1 ILE A 757 12.309 -21.494 -6.491 1.00 74.03 C ATOM 0 H ILE A 757 13.652 -23.319 -7.991 1.00 61.53 H new ATOM 0 HA ILE A 757 11.418 -23.390 -9.914 1.00 65.45 H new ATOM 0 HB ILE A 757 12.748 -20.831 -8.966 1.00 10.51 H new ATOM 0 HG12 ILE A 757 10.598 -20.660 -7.450 1.00 44.21 H new ATOM 0 HG13 ILE A 757 10.668 -22.411 -7.496 1.00 44.21 H new ATOM 0 HG21 ILE A 757 10.552 -19.829 -9.573 1.00 1.25 H new ATOM 0 HG22 ILE A 757 11.297 -20.690 -10.940 1.00 1.25 H new ATOM 0 HG23 ILE A 757 9.963 -21.444 -10.036 1.00 1.25 H new ATOM 0 HD11 ILE A 757 11.813 -21.539 -5.521 1.00 74.03 H new ATOM 0 HD12 ILE A 757 12.967 -22.356 -6.602 1.00 74.03 H new ATOM 0 HD13 ILE A 757 12.896 -20.578 -6.556 1.00 74.03 H new ATOM 709 N THR A 758 12.859 -22.381 -11.807 1.00 41.31 N ATOM 710 CA THR A 758 13.710 -22.095 -12.924 1.00 42.33 C ATOM 711 C THR A 758 14.402 -20.705 -12.758 1.00 22.45 C ATOM 712 O THR A 758 15.507 -20.485 -13.259 1.00 33.45 O ATOM 713 CB THR A 758 12.904 -22.150 -14.251 1.00 51.33 C ATOM 714 OG1 THR A 758 13.786 -22.134 -15.383 1.00 61.24 O ATOM 715 CG2 THR A 758 11.928 -20.988 -14.356 1.00 61.34 C ATOM 0 H THR A 758 11.863 -22.351 -12.026 1.00 41.31 H new ATOM 0 HA THR A 758 14.489 -22.857 -12.961 1.00 42.33 H new ATOM 0 HB THR A 758 12.339 -23.082 -14.247 1.00 51.33 H new ATOM 0 HG1 THR A 758 13.259 -22.171 -16.209 1.00 61.24 H new ATOM 0 HG21 THR A 758 11.380 -21.057 -15.296 1.00 61.34 H new ATOM 0 HG22 THR A 758 11.226 -21.026 -13.523 1.00 61.34 H new ATOM 0 HG23 THR A 758 12.478 -20.047 -14.324 1.00 61.34 H new ATOM 723 N TYR A 759 13.734 -19.787 -12.047 1.00 22.11 N ATOM 724 CA TYR A 759 14.302 -18.502 -11.749 1.00 75.41 C ATOM 725 C TYR A 759 15.036 -18.585 -10.464 1.00 34.23 C ATOM 726 O TYR A 759 16.137 -18.058 -10.323 1.00 61.22 O ATOM 727 CB TYR A 759 13.210 -17.466 -11.661 1.00 10.04 C ATOM 728 CG TYR A 759 12.369 -17.368 -12.910 1.00 51.03 C ATOM 729 CD1 TYR A 759 12.867 -16.782 -14.057 1.00 63.34 C ATOM 730 CD2 TYR A 759 11.075 -17.874 -12.939 1.00 11.44 C ATOM 731 CE1 TYR A 759 12.109 -16.695 -15.199 1.00 51.11 C ATOM 732 CE2 TYR A 759 10.307 -17.793 -14.080 1.00 71.32 C ATOM 733 CZ TYR A 759 10.827 -17.202 -15.208 1.00 1.14 C ATOM 734 OH TYR A 759 10.065 -17.118 -16.349 1.00 12.30 O ATOM 0 H TYR A 759 12.795 -19.929 -11.674 1.00 22.11 H new ATOM 0 HA TYR A 759 14.991 -18.211 -12.541 1.00 75.41 H new ATOM 0 HB2 TYR A 759 12.564 -17.702 -10.815 1.00 10.04 H new ATOM 0 HB3 TYR A 759 13.659 -16.494 -11.458 1.00 10.04 H new ATOM 0 HD1 TYR A 759 13.871 -16.385 -14.056 1.00 63.34 H new ATOM 0 HD2 TYR A 759 10.665 -18.338 -12.054 1.00 11.44 H new ATOM 0 HE1 TYR A 759 12.515 -16.232 -16.086 1.00 51.11 H new ATOM 0 HE2 TYR A 759 9.303 -18.191 -14.089 1.00 71.32 H new ATOM 0 HH TYR A 759 9.188 -17.523 -16.187 1.00 12.30 H new ATOM 744 N ARG A 760 14.414 -19.267 -9.512 1.00 72.45 N ATOM 745 CA ARG A 760 15.006 -19.568 -8.236 1.00 64.24 C ATOM 746 C ARG A 760 15.376 -18.298 -7.490 1.00 54.12 C ATOM 747 O ARG A 760 16.522 -18.109 -7.062 1.00 31.45 O ATOM 748 CB ARG A 760 16.218 -20.508 -8.411 1.00 51.32 C ATOM 749 CG ARG A 760 16.281 -21.642 -7.399 1.00 64.23 C ATOM 750 CD ARG A 760 16.716 -21.158 -6.042 1.00 22.24 C ATOM 751 NE ARG A 760 16.650 -22.215 -5.046 1.00 13.52 N ATOM 752 CZ ARG A 760 17.702 -22.720 -4.394 1.00 14.20 C ATOM 753 NH1 ARG A 760 18.928 -22.310 -4.680 1.00 65.15 N ATOM 754 NH2 ARG A 760 17.524 -23.661 -3.478 1.00 51.32 N ATOM 0 H ARG A 760 13.466 -19.629 -9.617 1.00 72.45 H new ATOM 0 HA ARG A 760 14.268 -20.090 -7.627 1.00 64.24 H new ATOM 0 HB2 ARG A 760 16.192 -20.933 -9.414 1.00 51.32 H new ATOM 0 HB3 ARG A 760 17.133 -19.920 -8.338 1.00 51.32 H new ATOM 0 HG2 ARG A 760 15.301 -22.113 -7.320 1.00 64.23 H new ATOM 0 HG3 ARG A 760 16.974 -22.406 -7.752 1.00 64.23 H new ATOM 0 HD2 ARG A 760 17.736 -20.777 -6.101 1.00 22.24 H new ATOM 0 HD3 ARG A 760 16.083 -20.326 -5.732 1.00 22.24 H new ATOM 0 HE ARG A 760 15.731 -22.601 -4.828 1.00 13.52 H new ATOM 0 HH11 ARG A 760 19.074 -21.604 -5.402 1.00 65.15 H new ATOM 0 HH12 ARG A 760 19.726 -22.700 -4.178 1.00 65.15 H new ATOM 0 HH21 ARG A 760 16.584 -24.000 -3.271 1.00 51.32 H new ATOM 0 HH22 ARG A 760 18.327 -24.047 -2.980 1.00 51.32 H new ATOM 768 N GLY A 761 14.417 -17.440 -7.347 1.00 3.04 N ATOM 769 CA GLY A 761 14.622 -16.233 -6.621 1.00 63.23 C ATOM 770 C GLY A 761 13.437 -15.341 -6.675 1.00 0.02 C ATOM 771 O GLY A 761 13.126 -14.651 -5.698 1.00 74.20 O ATOM 0 H GLY A 761 13.478 -17.557 -7.728 1.00 3.04 H new ATOM 0 HA2 GLY A 761 14.850 -16.470 -5.582 1.00 63.23 H new ATOM 0 HA3 GLY A 761 15.488 -15.709 -7.026 1.00 63.23 H new ATOM 775 N THR A 762 12.750 -15.342 -7.790 1.00 45.51 N ATOM 776 CA THR A 762 11.581 -14.525 -7.916 1.00 21.24 C ATOM 777 C THR A 762 10.371 -15.167 -7.167 1.00 1.44 C ATOM 778 O THR A 762 9.991 -14.643 -6.105 1.00 21.34 O ATOM 779 CB THR A 762 11.240 -14.198 -9.416 1.00 62.32 C ATOM 780 OG1 THR A 762 10.096 -13.329 -9.497 1.00 53.30 O ATOM 781 CG2 THR A 762 10.980 -15.457 -10.208 1.00 54.54 C ATOM 782 OXT THR A 762 9.846 -16.215 -7.627 1.00 40.07 O ATOM 0 H THR A 762 12.982 -15.896 -8.614 1.00 45.51 H new ATOM 0 HA THR A 762 11.798 -13.569 -7.439 1.00 21.24 H new ATOM 0 HB THR A 762 12.105 -13.693 -9.846 1.00 62.32 H new ATOM 0 HG1 THR A 762 9.899 -13.134 -10.437 1.00 53.30 H new ATOM 0 HG21 THR A 762 10.747 -15.196 -11.240 1.00 54.54 H new ATOM 0 HG22 THR A 762 11.866 -16.091 -10.185 1.00 54.54 H new ATOM 0 HG23 THR A 762 10.138 -15.994 -9.771 1.00 54.54 H new