USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=11 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 X(o=0,f=0) USER MOD Single : A 725 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.128) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -39:sc= 0.0622 USER MOD Single : A 743 ASN : amide:sc= 0.467 X(o=0.47,f=0) USER MOD Single : A 744 ASN : amide:sc= -2.71! C(o=-2.7!,f=-3.5!) USER MOD Single : A 748 LYS NZ :NH3+ 178:sc= 2.4 (180deg=2.39) USER MOD Single : A 751 THR OG1 : rot -60:sc= 0.799 USER MOD Single : A 752 SER OG : rot -21:sc= 0.0449 USER MOD Single : A 753 THR OG1 : rot -170:sc= -0.801 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0.261 USER MOD Single : A 756 ASN : amide:sc= -0.0342 X(o=-0.034,f=0) 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 5.158 -5.951 1.426 1.00 51.34 N ATOM 24 CA LEU A 717 5.178 -7.142 0.574 1.00 51.31 C ATOM 25 C LEU A 717 4.470 -6.912 -0.758 1.00 11.13 C ATOM 26 O LEU A 717 4.862 -7.474 -1.775 1.00 42.41 O ATOM 27 CB LEU A 717 4.581 -8.345 1.285 1.00 24.42 C ATOM 28 CG LEU A 717 4.578 -9.652 0.479 1.00 75.23 C ATOM 29 CD1 LEU A 717 5.967 -10.270 0.437 1.00 73.40 C ATOM 30 CD2 LEU A 717 3.559 -10.630 1.021 1.00 34.05 C ATOM 0 HA LEU A 717 6.227 -7.350 0.361 1.00 51.31 H new ATOM 0 HB2 LEU A 717 5.133 -8.510 2.210 1.00 24.42 H new ATOM 0 HB3 LEU A 717 3.554 -8.108 1.564 1.00 24.42 H new ATOM 0 HG LEU A 717 4.289 -9.411 -0.544 1.00 75.23 H new ATOM 0 HD11 LEU A 717 5.937 -11.194 -0.140 1.00 73.40 H new ATOM 0 HD12 LEU A 717 6.662 -9.573 -0.031 1.00 73.40 H new ATOM 0 HD13 LEU A 717 6.300 -10.487 1.452 1.00 73.40 H new ATOM 0 HD21 LEU A 717 3.582 -11.545 0.429 1.00 34.05 H new ATOM 0 HD22 LEU A 717 3.795 -10.864 2.059 1.00 34.05 H new ATOM 0 HD23 LEU A 717 2.565 -10.187 0.966 1.00 34.05 H new ATOM 42 N LEU A 718 3.446 -6.059 -0.754 1.00 24.53 N ATOM 43 CA LEU A 718 2.664 -5.787 -1.973 1.00 64.00 C ATOM 44 C LEU A 718 3.539 -5.183 -3.039 1.00 61.53 C ATOM 45 O LEU A 718 3.251 -5.278 -4.225 1.00 41.10 O ATOM 46 CB LEU A 718 1.514 -4.828 -1.669 1.00 61.33 C ATOM 47 CG LEU A 718 0.493 -5.294 -0.647 1.00 73.31 C ATOM 48 CD1 LEU A 718 -0.514 -4.193 -0.382 1.00 53.32 C ATOM 49 CD2 LEU A 718 -0.205 -6.557 -1.127 1.00 31.53 C ATOM 0 H LEU A 718 3.135 -5.545 0.070 1.00 24.53 H new ATOM 0 HA LEU A 718 2.261 -6.735 -2.330 1.00 64.00 H new ATOM 0 HB2 LEU A 718 1.939 -3.886 -1.321 1.00 61.33 H new ATOM 0 HB3 LEU A 718 0.991 -4.617 -2.602 1.00 61.33 H new ATOM 0 HG LEU A 718 1.009 -5.526 0.285 1.00 73.31 H new ATOM 0 HD11 LEU A 718 -1.243 -4.536 0.352 1.00 53.32 H new ATOM 0 HD12 LEU A 718 0.002 -3.313 0.002 1.00 53.32 H new ATOM 0 HD13 LEU A 718 -1.026 -3.937 -1.310 1.00 53.32 H new ATOM 0 HD21 LEU A 718 -0.933 -6.876 -0.381 1.00 31.53 H new ATOM 0 HD22 LEU A 718 -0.715 -6.355 -2.069 1.00 31.53 H new ATOM 0 HD23 LEU A 718 0.532 -7.346 -1.275 1.00 31.53 H new ATOM 61 N ILE A 719 4.597 -4.564 -2.612 1.00 51.41 N ATOM 62 CA ILE A 719 5.489 -3.890 -3.495 1.00 5.40 C ATOM 63 C ILE A 719 6.806 -4.676 -3.648 1.00 54.23 C ATOM 64 O ILE A 719 7.458 -4.631 -4.698 1.00 4.04 O ATOM 65 CB ILE A 719 5.812 -2.464 -2.964 1.00 61.23 C ATOM 66 CG1 ILE A 719 4.524 -1.740 -2.493 1.00 73.44 C ATOM 67 CG2 ILE A 719 6.529 -1.647 -4.023 1.00 50.44 C ATOM 68 CD1 ILE A 719 4.227 -1.909 -1.009 1.00 34.34 C ATOM 0 H ILE A 719 4.865 -4.514 -1.629 1.00 51.41 H new ATOM 0 HA ILE A 719 4.998 -3.815 -4.465 1.00 5.40 H new ATOM 0 HB ILE A 719 6.474 -2.567 -2.104 1.00 61.23 H new ATOM 0 HG12 ILE A 719 4.615 -0.677 -2.716 1.00 73.44 H new ATOM 0 HG13 ILE A 719 3.677 -2.116 -3.068 1.00 73.44 H new ATOM 0 HG21 ILE A 719 6.746 -0.653 -3.631 1.00 50.44 H new ATOM 0 HG22 ILE A 719 7.462 -2.141 -4.294 1.00 50.44 H new ATOM 0 HG23 ILE A 719 5.895 -1.559 -4.905 1.00 50.44 H new ATOM 0 HD11 ILE A 719 3.311 -1.374 -0.758 1.00 34.34 H new ATOM 0 HD12 ILE A 719 4.103 -2.968 -0.781 1.00 34.34 H new ATOM 0 HD13 ILE A 719 5.054 -1.507 -0.424 1.00 34.34 H new ATOM 80 N THR A 720 7.164 -5.414 -2.611 1.00 43.23 N ATOM 81 CA THR A 720 8.465 -6.049 -2.534 1.00 65.11 C ATOM 82 C THR A 720 8.614 -7.184 -3.541 1.00 14.51 C ATOM 83 O THR A 720 9.703 -7.525 -3.915 1.00 0.41 O ATOM 84 CB THR A 720 8.777 -6.560 -1.086 1.00 3.41 C ATOM 85 OG1 THR A 720 10.174 -6.449 -0.815 1.00 52.13 O ATOM 86 CG2 THR A 720 8.357 -8.009 -0.911 1.00 20.50 C ATOM 0 H THR A 720 6.564 -5.588 -1.805 1.00 43.23 H new ATOM 0 HA THR A 720 9.195 -5.281 -2.790 1.00 65.11 H new ATOM 0 HB THR A 720 8.211 -5.941 -0.390 1.00 3.41 H new ATOM 0 HG1 THR A 720 10.358 -6.769 0.093 1.00 52.13 H new ATOM 0 HG21 THR A 720 8.586 -8.334 0.104 1.00 20.50 H new ATOM 0 HG22 THR A 720 7.285 -8.101 -1.088 1.00 20.50 H new ATOM 0 HG23 THR A 720 8.897 -8.633 -1.623 1.00 20.50 H new ATOM 94 N ILE A 721 7.513 -7.748 -3.969 1.00 13.25 N ATOM 95 CA ILE A 721 7.552 -8.836 -4.916 1.00 64.32 C ATOM 96 C ILE A 721 8.062 -8.343 -6.273 1.00 74.13 C ATOM 97 O ILE A 721 8.863 -8.999 -6.929 1.00 43.33 O ATOM 98 CB ILE A 721 6.171 -9.474 -5.079 1.00 14.42 C ATOM 99 CG1 ILE A 721 5.700 -10.083 -3.745 1.00 40.11 C ATOM 100 CG2 ILE A 721 6.197 -10.525 -6.178 1.00 54.22 C ATOM 101 CD1 ILE A 721 4.291 -10.638 -3.781 1.00 4.51 C ATOM 0 H ILE A 721 6.576 -7.472 -3.676 1.00 13.25 H new ATOM 0 HA ILE A 721 8.236 -9.592 -4.530 1.00 64.32 H new ATOM 0 HB ILE A 721 5.461 -8.699 -5.368 1.00 14.42 H new ATOM 0 HG12 ILE A 721 6.386 -10.881 -3.460 1.00 40.11 H new ATOM 0 HG13 ILE A 721 5.759 -9.320 -2.969 1.00 40.11 H new ATOM 0 HG21 ILE A 721 5.207 -10.969 -6.281 1.00 54.22 H new ATOM 0 HG22 ILE A 721 6.485 -10.059 -7.120 1.00 54.22 H new ATOM 0 HG23 ILE A 721 6.918 -11.302 -5.922 1.00 54.22 H new ATOM 0 HD11 ILE A 721 4.036 -11.048 -2.804 1.00 4.51 H new ATOM 0 HD12 ILE A 721 3.592 -9.840 -4.033 1.00 4.51 H new ATOM 0 HD13 ILE A 721 4.229 -11.426 -4.532 1.00 4.51 H new ATOM 113 N HIS A 722 7.615 -7.191 -6.661 1.00 31.20 N ATOM 114 CA HIS A 722 8.052 -6.586 -7.895 1.00 31.00 C ATOM 115 C HIS A 722 9.502 -6.132 -7.808 1.00 71.12 C ATOM 116 O HIS A 722 10.241 -6.181 -8.794 1.00 24.41 O ATOM 117 CB HIS A 722 7.156 -5.419 -8.268 1.00 61.14 C ATOM 118 CG HIS A 722 5.920 -5.808 -9.018 1.00 23.44 C ATOM 119 ND1 HIS A 722 5.606 -5.303 -10.254 1.00 31.11 N ATOM 120 CD2 HIS A 722 4.912 -6.644 -8.697 1.00 3.01 C ATOM 121 CE1 HIS A 722 4.467 -5.808 -10.659 1.00 32.42 C ATOM 122 NE2 HIS A 722 4.026 -6.625 -9.734 1.00 73.33 N ATOM 0 H HIS A 722 6.937 -6.637 -6.137 1.00 31.20 H new ATOM 0 HA HIS A 722 7.982 -7.344 -8.675 1.00 31.00 H new ATOM 0 HB2 HIS A 722 6.865 -4.894 -7.358 1.00 61.14 H new ATOM 0 HB3 HIS A 722 7.728 -4.715 -8.873 1.00 61.14 H new ATOM 0 HD2 HIS A 722 4.823 -7.221 -7.788 1.00 3.01 H new ATOM 0 HE1 HIS A 722 3.975 -5.589 -11.595 1.00 32.42 H new ATOM 0 HE2 HIS A 722 3.159 -7.161 -9.782 1.00 73.33 H new ATOM 131 N ASP A 723 9.915 -5.710 -6.636 1.00 11.14 N ATOM 132 CA ASP A 723 11.266 -5.198 -6.459 1.00 14.13 C ATOM 133 C ASP A 723 12.237 -6.267 -5.974 1.00 34.20 C ATOM 134 O ASP A 723 13.434 -6.026 -5.906 1.00 13.11 O ATOM 135 CB ASP A 723 11.286 -3.998 -5.504 1.00 3.43 C ATOM 136 CG ASP A 723 10.788 -2.714 -6.141 1.00 32.41 C ATOM 137 OD1 ASP A 723 11.551 -2.089 -6.916 1.00 33.24 O ATOM 138 OD2 ASP A 723 9.643 -2.312 -5.860 1.00 24.44 O ATOM 0 H ASP A 723 9.343 -5.708 -5.791 1.00 11.14 H new ATOM 0 HA ASP A 723 11.600 -4.872 -7.444 1.00 14.13 H new ATOM 0 HB2 ASP A 723 10.671 -4.225 -4.633 1.00 3.43 H new ATOM 0 HB3 ASP A 723 12.304 -3.846 -5.144 1.00 3.43 H new ATOM 143 N ARG A 724 11.723 -7.455 -5.657 1.00 33.30 N ATOM 144 CA ARG A 724 12.563 -8.542 -5.102 1.00 42.40 C ATOM 145 C ARG A 724 13.712 -8.951 -6.045 1.00 22.35 C ATOM 146 O ARG A 724 14.699 -9.543 -5.611 1.00 34.33 O ATOM 147 CB ARG A 724 11.718 -9.764 -4.686 1.00 71.42 C ATOM 148 CG ARG A 724 11.159 -10.573 -5.820 1.00 11.34 C ATOM 149 CD ARG A 724 10.236 -11.633 -5.293 1.00 3.03 C ATOM 150 NE ARG A 724 9.663 -12.457 -6.343 1.00 64.30 N ATOM 151 CZ ARG A 724 8.643 -13.292 -6.161 1.00 61.23 C ATOM 152 NH1 ARG A 724 8.054 -13.380 -4.967 1.00 32.42 N ATOM 153 NH2 ARG A 724 8.206 -14.026 -7.165 1.00 35.15 N ATOM 0 H ARG A 724 10.739 -7.698 -5.770 1.00 33.30 H new ATOM 0 HA ARG A 724 13.026 -8.136 -4.203 1.00 42.40 H new ATOM 0 HB2 ARG A 724 12.333 -10.416 -4.065 1.00 71.42 H new ATOM 0 HB3 ARG A 724 10.891 -9.419 -4.065 1.00 71.42 H new ATOM 0 HG2 ARG A 724 10.622 -9.923 -6.510 1.00 11.34 H new ATOM 0 HG3 ARG A 724 11.971 -11.034 -6.383 1.00 11.34 H new ATOM 0 HD2 ARG A 724 10.782 -12.269 -4.596 1.00 3.03 H new ATOM 0 HD3 ARG A 724 9.432 -11.160 -4.730 1.00 3.03 H new ATOM 0 HE ARG A 724 10.067 -12.392 -7.277 1.00 64.30 H new ATOM 0 HH11 ARG A 724 8.385 -12.806 -4.191 1.00 32.42 H new ATOM 0 HH12 ARG A 724 7.272 -14.021 -4.830 1.00 32.42 H new ATOM 0 HH21 ARG A 724 8.650 -13.954 -8.081 1.00 35.15 H new ATOM 0 HH22 ARG A 724 7.424 -14.666 -7.026 1.00 35.15 H new ATOM 167 N LYS A 725 13.565 -8.668 -7.301 1.00 2.03 N ATOM 168 CA LYS A 725 14.649 -8.885 -8.247 1.00 5.11 C ATOM 169 C LYS A 725 15.642 -7.736 -8.210 1.00 63.44 C ATOM 170 O LYS A 725 16.791 -7.910 -7.873 1.00 51.11 O ATOM 171 CB LYS A 725 14.131 -9.082 -9.684 1.00 42.31 C ATOM 172 CG LYS A 725 13.297 -10.350 -9.916 1.00 44.05 C ATOM 173 CD LYS A 725 11.925 -10.268 -9.261 1.00 41.13 C ATOM 174 CE LYS A 725 11.128 -9.064 -9.759 1.00 41.13 C ATOM 175 NZ LYS A 725 10.959 -9.072 -11.229 1.00 32.01 N ATOM 0 H LYS A 725 12.712 -8.286 -7.709 1.00 2.03 H new ATOM 0 HA LYS A 725 15.153 -9.802 -7.942 1.00 5.11 H new ATOM 0 HB2 LYS A 725 13.528 -8.216 -9.956 1.00 42.31 H new ATOM 0 HB3 LYS A 725 14.985 -9.101 -10.361 1.00 42.31 H new ATOM 0 HG2 LYS A 725 13.177 -10.512 -10.987 1.00 44.05 H new ATOM 0 HG3 LYS A 725 13.834 -11.213 -9.522 1.00 44.05 H new ATOM 0 HD2 LYS A 725 11.369 -11.182 -9.468 1.00 41.13 H new ATOM 0 HD3 LYS A 725 12.042 -10.204 -8.179 1.00 41.13 H new ATOM 0 HE2 LYS A 725 10.148 -9.058 -9.283 1.00 41.13 H new ATOM 0 HE3 LYS A 725 11.634 -8.147 -9.459 1.00 41.13 H new ATOM 0 HZ1 LYS A 725 10.315 -8.305 -11.509 1.00 32.01 H new ATOM 0 HZ2 LYS A 725 11.883 -8.932 -11.685 1.00 32.01 H new ATOM 0 HZ3 LYS A 725 10.560 -9.985 -11.528 1.00 32.01 H new ATOM 189 N GLU A 726 15.165 -6.563 -8.560 1.00 72.01 N ATOM 190 CA GLU A 726 16.019 -5.392 -8.736 1.00 74.12 C ATOM 191 C GLU A 726 16.471 -4.815 -7.403 1.00 5.11 C ATOM 192 O GLU A 726 17.663 -4.790 -7.092 1.00 71.11 O ATOM 193 CB GLU A 726 15.272 -4.322 -9.525 1.00 73.40 C ATOM 194 CG GLU A 726 14.269 -4.880 -10.505 1.00 13.11 C ATOM 195 CD GLU A 726 13.707 -3.835 -11.429 1.00 33.11 C ATOM 196 OE1 GLU A 726 14.361 -3.520 -12.435 1.00 41.01 O ATOM 197 OE2 GLU A 726 12.607 -3.336 -11.165 1.00 52.22 O ATOM 0 H GLU A 726 14.176 -6.385 -8.733 1.00 72.01 H new ATOM 0 HA GLU A 726 16.906 -5.710 -9.283 1.00 74.12 H new ATOM 0 HB2 GLU A 726 14.756 -3.662 -8.827 1.00 73.40 H new ATOM 0 HB3 GLU A 726 15.995 -3.711 -10.066 1.00 73.40 H new ATOM 0 HG2 GLU A 726 14.744 -5.663 -11.097 1.00 13.11 H new ATOM 0 HG3 GLU A 726 13.453 -5.347 -9.955 1.00 13.11 H new ATOM 204 N PHE A 727 15.522 -4.378 -6.628 1.00 52.11 N ATOM 205 CA PHE A 727 15.788 -3.666 -5.406 1.00 40.53 C ATOM 206 C PHE A 727 16.279 -4.585 -4.302 1.00 35.11 C ATOM 207 O PHE A 727 17.210 -4.241 -3.572 1.00 12.21 O ATOM 208 CB PHE A 727 14.551 -2.908 -4.967 1.00 20.13 C ATOM 209 CG PHE A 727 14.655 -2.325 -3.592 1.00 60.22 C ATOM 210 CD1 PHE A 727 15.613 -1.373 -3.301 1.00 55.34 C ATOM 211 CD2 PHE A 727 13.805 -2.741 -2.588 1.00 54.53 C ATOM 212 CE1 PHE A 727 15.717 -0.844 -2.033 1.00 32.14 C ATOM 213 CE2 PHE A 727 13.903 -2.221 -1.321 1.00 43.11 C ATOM 214 CZ PHE A 727 14.859 -1.268 -1.040 1.00 25.22 C ATOM 0 H PHE A 727 14.530 -4.506 -6.826 1.00 52.11 H new ATOM 0 HA PHE A 727 16.590 -2.955 -5.605 1.00 40.53 H new ATOM 0 HB2 PHE A 727 14.357 -2.105 -5.678 1.00 20.13 H new ATOM 0 HB3 PHE A 727 13.693 -3.580 -5.003 1.00 20.13 H new ATOM 0 HD1 PHE A 727 16.288 -1.040 -4.076 1.00 55.34 H new ATOM 0 HD2 PHE A 727 13.052 -3.486 -2.802 1.00 54.53 H new ATOM 0 HE1 PHE A 727 16.469 -0.099 -1.817 1.00 32.14 H new ATOM 0 HE2 PHE A 727 13.232 -2.558 -0.545 1.00 43.11 H new ATOM 0 HZ PHE A 727 14.936 -0.855 -0.045 1.00 25.22 H new ATOM 224 N ALA A 728 15.660 -5.741 -4.173 1.00 13.32 N ATOM 225 CA ALA A 728 16.066 -6.693 -3.162 1.00 13.12 C ATOM 226 C ALA A 728 17.492 -7.074 -3.345 1.00 41.04 C ATOM 227 O ALA A 728 18.268 -6.984 -2.433 1.00 73.13 O ATOM 228 CB ALA A 728 15.201 -7.903 -3.185 1.00 43.03 C ATOM 0 H ALA A 728 14.877 -6.042 -4.753 1.00 13.32 H new ATOM 0 HA ALA A 728 15.954 -6.215 -2.189 1.00 13.12 H new ATOM 0 HB1 ALA A 728 15.530 -8.600 -2.415 1.00 43.03 H new ATOM 0 HB2 ALA A 728 14.167 -7.615 -2.996 1.00 43.03 H new ATOM 0 HB3 ALA A 728 15.271 -8.382 -4.162 1.00 43.03 H new ATOM 234 N LYS A 729 17.843 -7.484 -4.558 1.00 13.02 N ATOM 235 CA LYS A 729 19.214 -7.828 -4.880 1.00 5.14 C ATOM 236 C LYS A 729 20.157 -6.656 -4.623 1.00 11.45 C ATOM 237 O LYS A 729 21.299 -6.850 -4.225 1.00 52.14 O ATOM 238 CB LYS A 729 19.317 -8.312 -6.338 1.00 74.31 C ATOM 239 CG LYS A 729 20.736 -8.526 -6.859 1.00 62.04 C ATOM 240 CD LYS A 729 21.530 -9.481 -5.986 1.00 41.33 C ATOM 241 CE LYS A 729 20.861 -10.832 -5.865 1.00 20.53 C ATOM 242 NZ LYS A 729 21.754 -11.808 -5.233 1.00 44.25 N ATOM 0 H LYS A 729 17.190 -7.585 -5.335 1.00 13.02 H new ATOM 0 HA LYS A 729 19.522 -8.642 -4.224 1.00 5.14 H new ATOM 0 HB2 LYS A 729 18.769 -9.250 -6.431 1.00 74.31 H new ATOM 0 HB3 LYS A 729 18.818 -7.586 -6.980 1.00 74.31 H new ATOM 0 HG2 LYS A 729 20.693 -8.917 -7.876 1.00 62.04 H new ATOM 0 HG3 LYS A 729 21.252 -7.567 -6.908 1.00 62.04 H new ATOM 0 HD2 LYS A 729 22.529 -9.608 -6.404 1.00 41.33 H new ATOM 0 HD3 LYS A 729 21.652 -9.047 -4.993 1.00 41.33 H new ATOM 0 HE2 LYS A 729 19.947 -10.738 -5.279 1.00 20.53 H new ATOM 0 HE3 LYS A 729 20.570 -11.187 -6.854 1.00 20.53 H new ATOM 0 HZ1 LYS A 729 21.270 -12.726 -5.162 1.00 44.25 H new ATOM 0 HZ2 LYS A 729 22.615 -11.913 -5.807 1.00 44.25 H new ATOM 0 HZ3 LYS A 729 22.011 -11.478 -4.281 1.00 44.25 H new ATOM 256 N PHE A 730 19.659 -5.453 -4.814 1.00 54.24 N ATOM 257 CA PHE A 730 20.454 -4.269 -4.633 1.00 52.42 C ATOM 258 C PHE A 730 20.914 -4.168 -3.215 1.00 51.32 C ATOM 259 O PHE A 730 22.105 -4.041 -2.942 1.00 54.04 O ATOM 260 CB PHE A 730 19.645 -3.050 -4.977 1.00 64.22 C ATOM 261 CG PHE A 730 20.464 -1.812 -5.232 1.00 1.15 C ATOM 262 CD1 PHE A 730 21.027 -1.584 -6.472 1.00 70.34 C ATOM 263 CD2 PHE A 730 20.662 -0.876 -4.229 1.00 54.33 C ATOM 264 CE1 PHE A 730 21.774 -0.447 -6.709 1.00 3.22 C ATOM 265 CE2 PHE A 730 21.406 0.261 -4.460 1.00 62.32 C ATOM 266 CZ PHE A 730 21.963 0.475 -5.702 1.00 33.51 C ATOM 0 H PHE A 730 18.696 -5.274 -5.098 1.00 54.24 H new ATOM 0 HA PHE A 730 21.321 -4.330 -5.291 1.00 52.42 H new ATOM 0 HB2 PHE A 730 19.047 -3.264 -5.863 1.00 64.22 H new ATOM 0 HB3 PHE A 730 18.949 -2.849 -4.163 1.00 64.22 H new ATOM 0 HD1 PHE A 730 20.882 -2.303 -7.265 1.00 70.34 H new ATOM 0 HD2 PHE A 730 20.228 -1.040 -3.254 1.00 54.33 H new ATOM 0 HE1 PHE A 730 22.210 -0.280 -7.683 1.00 3.22 H new ATOM 0 HE2 PHE A 730 21.552 0.982 -3.670 1.00 62.32 H new ATOM 0 HZ PHE A 730 22.547 1.364 -5.886 1.00 33.51 H new ATOM 276 N GLU A 731 19.981 -4.219 -2.319 1.00 44.22 N ATOM 277 CA GLU A 731 20.275 -4.113 -0.939 1.00 24.41 C ATOM 278 C GLU A 731 20.961 -5.387 -0.423 1.00 55.21 C ATOM 279 O GLU A 731 21.816 -5.324 0.439 1.00 54.11 O ATOM 280 CB GLU A 731 19.019 -3.805 -0.148 1.00 21.15 C ATOM 281 CG GLU A 731 18.029 -4.949 -0.066 1.00 13.24 C ATOM 282 CD GLU A 731 16.997 -4.734 0.985 1.00 31.52 C ATOM 283 OE1 GLU A 731 17.250 -5.097 2.148 1.00 45.23 O ATOM 284 OE2 GLU A 731 15.927 -4.200 0.673 1.00 74.24 O ATOM 0 H GLU A 731 18.990 -4.336 -2.532 1.00 44.22 H new ATOM 0 HA GLU A 731 20.971 -3.286 -0.800 1.00 24.41 H new ATOM 0 HB2 GLU A 731 19.304 -3.515 0.863 1.00 21.15 H new ATOM 0 HB3 GLU A 731 18.524 -2.945 -0.598 1.00 21.15 H new ATOM 0 HG2 GLU A 731 17.539 -5.072 -1.032 1.00 13.24 H new ATOM 0 HG3 GLU A 731 18.565 -5.875 0.140 1.00 13.24 H new ATOM 291 N GLU A 732 20.579 -6.538 -0.996 1.00 5.11 N ATOM 292 CA GLU A 732 21.133 -7.850 -0.621 1.00 63.14 C ATOM 293 C GLU A 732 22.642 -7.899 -0.749 1.00 22.15 C ATOM 294 O GLU A 732 23.310 -8.634 -0.013 1.00 30.02 O ATOM 295 CB GLU A 732 20.504 -8.954 -1.463 1.00 24.23 C ATOM 296 CG GLU A 732 19.157 -9.442 -0.938 1.00 61.00 C ATOM 297 CD GLU A 732 18.467 -10.395 -1.885 1.00 23.02 C ATOM 298 OE1 GLU A 732 19.161 -11.145 -2.586 1.00 62.21 O ATOM 299 OE2 GLU A 732 17.206 -10.401 -1.918 1.00 3.12 O ATOM 0 H GLU A 732 19.876 -6.587 -1.734 1.00 5.11 H new ATOM 0 HA GLU A 732 20.889 -8.008 0.429 1.00 63.14 H new ATOM 0 HB2 GLU A 732 20.375 -8.591 -2.483 1.00 24.23 H new ATOM 0 HB3 GLU A 732 21.192 -9.798 -1.510 1.00 24.23 H new ATOM 0 HG2 GLU A 732 19.304 -9.936 0.023 1.00 61.00 H new ATOM 0 HG3 GLU A 732 18.510 -8.583 -0.759 1.00 61.00 H new ATOM 306 N GLU A 733 23.178 -7.136 -1.670 1.00 53.25 N ATOM 307 CA GLU A 733 24.609 -7.084 -1.861 1.00 74.35 C ATOM 308 C GLU A 733 25.314 -6.631 -0.583 1.00 45.12 C ATOM 309 O GLU A 733 26.271 -7.238 -0.154 1.00 61.11 O ATOM 310 CB GLU A 733 24.962 -6.181 -3.032 1.00 2.21 C ATOM 311 CG GLU A 733 24.372 -6.652 -4.346 1.00 1.51 C ATOM 312 CD GLU A 733 24.756 -5.790 -5.516 1.00 12.24 C ATOM 313 OE1 GLU A 733 25.808 -6.054 -6.134 1.00 52.45 O ATOM 314 OE2 GLU A 733 24.007 -4.846 -5.839 1.00 35.14 O ATOM 0 H GLU A 733 22.643 -6.540 -2.302 1.00 53.25 H new ATOM 0 HA GLU A 733 24.959 -8.090 -2.094 1.00 74.35 H new ATOM 0 HB2 GLU A 733 24.609 -5.171 -2.823 1.00 2.21 H new ATOM 0 HB3 GLU A 733 26.047 -6.126 -3.127 1.00 2.21 H new ATOM 0 HG2 GLU A 733 24.697 -7.675 -4.536 1.00 1.51 H new ATOM 0 HG3 GLU A 733 23.286 -6.673 -4.261 1.00 1.51 H new ATOM 321 N ARG A 734 24.834 -5.569 -0.004 1.00 34.54 N ATOM 322 CA ARG A 734 25.357 -5.081 1.254 1.00 71.43 C ATOM 323 C ARG A 734 24.756 -5.844 2.440 1.00 74.43 C ATOM 324 O ARG A 734 25.472 -6.323 3.307 1.00 61.45 O ATOM 325 CB ARG A 734 25.094 -3.580 1.392 1.00 31.11 C ATOM 326 CG ARG A 734 25.534 -2.968 2.713 1.00 32.50 C ATOM 327 CD ARG A 734 27.018 -3.166 2.966 1.00 34.11 C ATOM 328 NE ARG A 734 27.483 -2.327 4.081 1.00 13.20 N ATOM 329 CZ ARG A 734 28.629 -2.505 4.765 1.00 3.14 C ATOM 330 NH1 ARG A 734 29.429 -3.527 4.483 1.00 55.11 N ATOM 331 NH2 ARG A 734 28.959 -1.657 5.733 1.00 34.10 N ATOM 0 H ARG A 734 24.069 -5.012 -0.385 1.00 34.54 H new ATOM 0 HA ARG A 734 26.434 -5.251 1.260 1.00 71.43 H new ATOM 0 HB2 ARG A 734 25.605 -3.061 0.581 1.00 31.11 H new ATOM 0 HB3 ARG A 734 24.027 -3.400 1.263 1.00 31.11 H new ATOM 0 HG2 ARG A 734 25.305 -1.902 2.713 1.00 32.50 H new ATOM 0 HG3 ARG A 734 24.965 -3.416 3.527 1.00 32.50 H new ATOM 0 HD2 ARG A 734 27.215 -4.215 3.189 1.00 34.11 H new ATOM 0 HD3 ARG A 734 27.579 -2.921 2.064 1.00 34.11 H new ATOM 0 HE ARG A 734 26.888 -1.546 4.359 1.00 13.20 H new ATOM 0 HH11 ARG A 734 29.177 -4.183 3.744 1.00 55.11 H new ATOM 0 HH12 ARG A 734 30.296 -3.656 5.005 1.00 55.11 H new ATOM 0 HH21 ARG A 734 28.345 -0.874 5.956 1.00 34.10 H new ATOM 0 HH22 ARG A 734 29.826 -1.789 6.253 1.00 34.10 H new ATOM 345 N ALA A 735 23.448 -5.961 2.445 1.00 45.32 N ATOM 346 CA ALA A 735 22.717 -6.503 3.592 1.00 42.14 C ATOM 347 C ALA A 735 23.000 -7.979 3.806 1.00 22.54 C ATOM 348 O ALA A 735 23.553 -8.364 4.824 1.00 3.34 O ATOM 349 CB ALA A 735 21.222 -6.256 3.440 1.00 0.00 C ATOM 0 H ALA A 735 22.853 -5.687 1.663 1.00 45.32 H new ATOM 0 HA ALA A 735 23.071 -5.977 4.479 1.00 42.14 H new ATOM 0 HB1 ALA A 735 20.696 -6.666 4.302 1.00 0.00 H new ATOM 0 HB2 ALA A 735 21.035 -5.184 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 735 20.864 -6.741 2.532 1.00 0.00 H new ATOM 355 N ARG A 736 22.639 -8.796 2.838 1.00 4.04 N ATOM 356 CA ARG A 736 22.797 -10.241 2.944 1.00 72.01 C ATOM 357 C ARG A 736 24.284 -10.656 3.046 1.00 61.51 C ATOM 358 O ARG A 736 24.602 -11.778 3.442 1.00 50.22 O ATOM 359 CB ARG A 736 22.101 -10.940 1.767 1.00 4.23 C ATOM 360 CG ARG A 736 22.137 -12.434 1.835 1.00 54.32 C ATOM 361 CD ARG A 736 20.926 -13.058 1.182 1.00 34.24 C ATOM 362 NE ARG A 736 20.780 -12.731 -0.262 1.00 41.24 N ATOM 363 CZ ARG A 736 21.157 -13.541 -1.273 1.00 35.42 C ATOM 364 NH1 ARG A 736 21.842 -14.659 -1.020 1.00 2.21 N ATOM 365 NH2 ARG A 736 20.835 -13.226 -2.533 1.00 3.34 N ATOM 0 H ARG A 736 22.229 -8.484 1.958 1.00 4.04 H new ATOM 0 HA ARG A 736 22.319 -10.562 3.870 1.00 72.01 H new ATOM 0 HB2 ARG A 736 21.062 -10.614 1.728 1.00 4.23 H new ATOM 0 HB3 ARG A 736 22.571 -10.618 0.838 1.00 4.23 H new ATOM 0 HG2 ARG A 736 23.041 -12.798 1.346 1.00 54.32 H new ATOM 0 HG3 ARG A 736 22.190 -12.749 2.877 1.00 54.32 H new ATOM 0 HD2 ARG A 736 20.983 -14.141 1.295 1.00 34.24 H new ATOM 0 HD3 ARG A 736 20.031 -12.729 1.711 1.00 34.24 H new ATOM 0 HE ARG A 736 20.366 -11.831 -0.505 1.00 41.24 H new ATOM 0 HH11 ARG A 736 22.082 -14.904 -0.059 1.00 2.21 H new ATOM 0 HH12 ARG A 736 22.125 -15.268 -1.787 1.00 2.21 H new ATOM 0 HH21 ARG A 736 20.306 -12.376 -2.727 1.00 3.34 H new ATOM 0 HH22 ARG A 736 21.119 -13.836 -3.300 1.00 3.34 H new ATOM 379 N ALA A 737 25.170 -9.741 2.721 1.00 64.43 N ATOM 380 CA ALA A 737 26.612 -10.006 2.808 1.00 41.31 C ATOM 381 C ALA A 737 27.092 -10.076 4.272 1.00 2.13 C ATOM 382 O ALA A 737 28.219 -10.502 4.550 1.00 74.15 O ATOM 383 CB ALA A 737 27.395 -8.961 2.051 1.00 3.22 C ATOM 0 H ALA A 737 24.931 -8.805 2.393 1.00 64.43 H new ATOM 0 HA ALA A 737 26.791 -10.979 2.351 1.00 41.31 H new ATOM 0 HB1 ALA A 737 28.460 -9.177 2.129 1.00 3.22 H new ATOM 0 HB2 ALA A 737 27.098 -8.973 1.002 1.00 3.22 H new ATOM 0 HB3 ALA A 737 27.192 -7.977 2.474 1.00 3.22 H new ATOM 389 N LYS A 738 26.248 -9.650 5.185 1.00 72.44 N ATOM 390 CA LYS A 738 26.586 -9.665 6.595 1.00 61.21 C ATOM 391 C LYS A 738 25.394 -10.095 7.443 1.00 71.55 C ATOM 392 O LYS A 738 25.556 -10.666 8.527 1.00 60.41 O ATOM 393 CB LYS A 738 27.108 -8.296 7.036 1.00 61.34 C ATOM 394 CG LYS A 738 27.818 -8.309 8.385 1.00 5.50 C ATOM 395 CD LYS A 738 28.444 -6.957 8.705 1.00 31.01 C ATOM 396 CE LYS A 738 29.466 -6.549 7.648 1.00 34.12 C ATOM 397 NZ LYS A 738 30.154 -5.296 8.004 1.00 33.04 N ATOM 0 H LYS A 738 25.318 -9.287 4.977 1.00 72.44 H new ATOM 0 HA LYS A 738 27.379 -10.398 6.746 1.00 61.21 H new ATOM 0 HB2 LYS A 738 27.795 -7.919 6.279 1.00 61.34 H new ATOM 0 HB3 LYS A 738 26.272 -7.598 7.083 1.00 61.34 H new ATOM 0 HG2 LYS A 738 27.108 -8.576 9.168 1.00 5.50 H new ATOM 0 HG3 LYS A 738 28.592 -9.077 8.382 1.00 5.50 H new ATOM 0 HD2 LYS A 738 27.663 -6.199 8.769 1.00 31.01 H new ATOM 0 HD3 LYS A 738 28.927 -7.000 9.681 1.00 31.01 H new ATOM 0 HE2 LYS A 738 30.201 -7.345 7.527 1.00 34.12 H new ATOM 0 HE3 LYS A 738 28.966 -6.428 6.687 1.00 34.12 H new ATOM 0 HZ1 LYS A 738 30.840 -5.053 7.261 1.00 33.04 H new ATOM 0 HZ2 LYS A 738 29.456 -4.530 8.094 1.00 33.04 H new ATOM 0 HZ3 LYS A 738 30.653 -5.419 8.908 1.00 33.04 H new ATOM 411 N TRP A 739 24.201 -9.840 6.939 1.00 61.24 N ATOM 412 CA TRP A 739 22.980 -10.109 7.659 1.00 2.44 C ATOM 413 C TRP A 739 22.056 -10.951 6.822 1.00 24.20 C ATOM 414 O TRP A 739 20.842 -10.700 6.749 1.00 42.35 O ATOM 415 CB TRP A 739 22.316 -8.791 8.048 1.00 24.45 C ATOM 416 CG TRP A 739 23.258 -7.877 8.751 1.00 53.12 C ATOM 417 CD1 TRP A 739 24.255 -7.165 8.179 1.00 61.21 C ATOM 418 CD2 TRP A 739 23.303 -7.583 10.143 1.00 62.43 C ATOM 419 NE1 TRP A 739 24.945 -6.485 9.106 1.00 32.34 N ATOM 420 CE2 TRP A 739 24.375 -6.699 10.334 1.00 12.34 C ATOM 421 CE3 TRP A 739 22.546 -7.983 11.248 1.00 50.33 C ATOM 422 CZ2 TRP A 739 24.717 -6.202 11.588 1.00 33.14 C ATOM 423 CZ3 TRP A 739 22.883 -7.487 12.493 1.00 51.34 C ATOM 424 CH2 TRP A 739 23.959 -6.605 12.654 1.00 15.12 C ATOM 0 H TRP A 739 24.056 -9.438 6.013 1.00 61.24 H new ATOM 0 HA TRP A 739 23.210 -10.665 8.567 1.00 2.44 H new ATOM 0 HB2 TRP A 739 21.934 -8.300 7.153 1.00 24.45 H new ATOM 0 HB3 TRP A 739 21.459 -8.993 8.691 1.00 24.45 H new ATOM 0 HD1 TRP A 739 24.467 -7.147 7.120 1.00 61.21 H new ATOM 0 HE1 TRP A 739 25.763 -5.902 8.926 1.00 32.34 H new ATOM 0 HE3 TRP A 739 21.716 -8.664 11.131 1.00 50.33 H new ATOM 0 HZ2 TRP A 739 25.548 -5.524 11.715 1.00 33.14 H new ATOM 0 HZ3 TRP A 739 22.307 -7.785 13.357 1.00 51.34 H new ATOM 0 HH2 TRP A 739 24.196 -6.235 13.641 1.00 15.12 H new ATOM 435 N ASP A 740 22.634 -11.948 6.190 1.00 65.01 N ATOM 436 CA ASP A 740 21.887 -12.957 5.411 1.00 12.41 C ATOM 437 C ASP A 740 20.720 -13.509 6.207 1.00 60.52 C ATOM 438 O ASP A 740 19.597 -13.572 5.716 1.00 15.41 O ATOM 439 CB ASP A 740 22.834 -14.109 5.018 1.00 1.24 C ATOM 440 CG ASP A 740 22.125 -15.282 4.333 1.00 30.15 C ATOM 441 OD1 ASP A 740 21.600 -16.181 5.046 1.00 42.34 O ATOM 442 OD2 ASP A 740 22.114 -15.320 3.097 1.00 44.14 O ATOM 0 H ASP A 740 23.643 -12.098 6.191 1.00 65.01 H new ATOM 0 HA ASP A 740 21.494 -12.476 4.515 1.00 12.41 H new ATOM 0 HB2 ASP A 740 23.605 -13.723 4.351 1.00 1.24 H new ATOM 0 HB3 ASP A 740 23.339 -14.473 5.912 1.00 1.24 H new ATOM 447 N THR A 741 20.983 -13.867 7.445 1.00 11.11 N ATOM 448 CA THR A 741 19.989 -14.503 8.286 1.00 71.10 C ATOM 449 C THR A 741 19.010 -13.469 8.875 1.00 40.42 C ATOM 450 O THR A 741 17.943 -13.823 9.375 1.00 0.14 O ATOM 451 CB THR A 741 20.663 -15.332 9.443 1.00 64.32 C ATOM 452 OG1 THR A 741 19.685 -16.146 10.117 1.00 33.50 O ATOM 453 CG2 THR A 741 21.343 -14.414 10.454 1.00 41.14 C ATOM 0 H THR A 741 21.887 -13.727 7.896 1.00 11.11 H new ATOM 0 HA THR A 741 19.426 -15.190 7.654 1.00 71.10 H new ATOM 0 HB THR A 741 21.418 -15.975 8.991 1.00 64.32 H new ATOM 0 HG1 THR A 741 18.848 -15.644 10.208 1.00 33.50 H new ATOM 0 HG21 THR A 741 21.799 -15.014 11.241 1.00 41.14 H new ATOM 0 HG22 THR A 741 22.113 -13.827 9.953 1.00 41.14 H new ATOM 0 HG23 THR A 741 20.603 -13.744 10.892 1.00 41.14 H new ATOM 461 N ALA A 742 19.371 -12.208 8.786 1.00 64.10 N ATOM 462 CA ALA A 742 18.586 -11.158 9.406 1.00 60.23 C ATOM 463 C ALA A 742 17.547 -10.597 8.454 1.00 30.04 C ATOM 464 O ALA A 742 16.529 -10.048 8.884 1.00 3.22 O ATOM 465 CB ALA A 742 19.488 -10.052 9.925 1.00 63.45 C ATOM 0 H ALA A 742 20.202 -11.883 8.291 1.00 64.10 H new ATOM 0 HA ALA A 742 18.054 -11.600 10.249 1.00 60.23 H new ATOM 0 HB1 ALA A 742 18.880 -9.274 10.387 1.00 63.45 H new ATOM 0 HB2 ALA A 742 20.177 -10.461 10.664 1.00 63.45 H new ATOM 0 HB3 ALA A 742 20.055 -9.626 9.097 1.00 63.45 H new ATOM 471 N ASN A 743 17.792 -10.728 7.172 1.00 62.54 N ATOM 472 CA ASN A 743 16.875 -10.177 6.176 1.00 71.15 C ATOM 473 C ASN A 743 16.226 -11.258 5.364 1.00 0.53 C ATOM 474 O ASN A 743 15.045 -11.170 5.020 1.00 2.41 O ATOM 475 CB ASN A 743 17.599 -9.210 5.240 1.00 25.55 C ATOM 476 CG ASN A 743 18.204 -8.040 5.957 1.00 73.10 C ATOM 477 OD1 ASN A 743 17.548 -7.018 6.172 1.00 75.22 O ATOM 478 ND2 ASN A 743 19.446 -8.167 6.327 1.00 25.43 N ATOM 0 H ASN A 743 18.607 -11.205 6.787 1.00 62.54 H new ATOM 0 HA ASN A 743 16.101 -9.639 6.723 1.00 71.15 H new ATOM 0 HB2 ASN A 743 18.384 -9.748 4.708 1.00 25.55 H new ATOM 0 HB3 ASN A 743 16.897 -8.846 4.490 1.00 25.55 H new ATOM 0 HD21 ASN A 743 19.913 -7.403 6.815 1.00 25.43 H new ATOM 0 HD22 ASN A 743 19.951 -9.030 6.129 1.00 25.43 H new ATOM 485 N ASN A 744 16.965 -12.280 5.071 1.00 55.52 N ATOM 486 CA ASN A 744 16.496 -13.312 4.194 1.00 15.40 C ATOM 487 C ASN A 744 16.283 -14.599 4.951 1.00 5.22 C ATOM 488 O ASN A 744 17.095 -14.970 5.786 1.00 11.15 O ATOM 489 CB ASN A 744 17.496 -13.524 3.048 1.00 62.15 C ATOM 490 CG ASN A 744 17.704 -12.271 2.211 1.00 4.12 C ATOM 491 OD1 ASN A 744 18.567 -11.452 2.510 1.00 73.54 O ATOM 492 ND2 ASN A 744 16.927 -12.115 1.176 1.00 4.42 N ATOM 0 H ASN A 744 17.909 -12.425 5.430 1.00 55.52 H new ATOM 0 HA ASN A 744 15.539 -13.002 3.774 1.00 15.40 H new ATOM 0 HB2 ASN A 744 18.453 -13.843 3.461 1.00 62.15 H new ATOM 0 HB3 ASN A 744 17.141 -14.330 2.406 1.00 62.15 H new ATOM 0 HD21 ASN A 744 17.026 -11.290 0.584 1.00 4.42 H new ATOM 0 HD22 ASN A 744 16.220 -12.818 0.958 1.00 4.42 H new ATOM 499 N PRO A 745 15.173 -15.299 4.677 1.00 44.53 N ATOM 500 CA PRO A 745 14.842 -16.563 5.356 1.00 51.20 C ATOM 501 C PRO A 745 15.757 -17.712 4.915 1.00 62.02 C ATOM 502 O PRO A 745 15.894 -18.723 5.614 1.00 73.43 O ATOM 503 CB PRO A 745 13.402 -16.830 4.908 1.00 51.04 C ATOM 504 CG PRO A 745 13.269 -16.124 3.603 1.00 4.42 C ATOM 505 CD PRO A 745 14.136 -14.907 3.694 1.00 51.22 C ATOM 0 HA PRO A 745 14.965 -16.495 6.437 1.00 51.20 H new ATOM 0 HB2 PRO A 745 13.213 -17.898 4.800 1.00 51.04 H new ATOM 0 HB3 PRO A 745 12.685 -16.452 5.637 1.00 51.04 H new ATOM 0 HG2 PRO A 745 13.584 -16.765 2.780 1.00 4.42 H new ATOM 0 HG3 PRO A 745 12.231 -15.849 3.414 1.00 4.42 H new ATOM 0 HD2 PRO A 745 14.573 -14.652 2.729 1.00 51.22 H new ATOM 0 HD3 PRO A 745 13.573 -14.036 4.029 1.00 51.22 H new ATOM 513 N LEU A 746 16.372 -17.544 3.766 1.00 15.10 N ATOM 514 CA LEU A 746 17.263 -18.533 3.204 1.00 25.23 C ATOM 515 C LEU A 746 18.018 -17.943 2.081 1.00 1.35 C ATOM 516 O LEU A 746 19.235 -18.039 2.013 1.00 10.35 O ATOM 517 CB LEU A 746 16.472 -19.761 2.714 1.00 55.03 C ATOM 518 CG LEU A 746 17.286 -20.850 2.003 1.00 23.45 C ATOM 519 CD1 LEU A 746 18.347 -21.424 2.931 1.00 63.23 C ATOM 520 CD2 LEU A 746 16.373 -21.950 1.488 1.00 55.41 C ATOM 0 H LEU A 746 16.266 -16.709 3.190 1.00 15.10 H new ATOM 0 HA LEU A 746 17.958 -18.856 3.979 1.00 25.23 H new ATOM 0 HB2 LEU A 746 15.972 -20.211 3.572 1.00 55.03 H new ATOM 0 HB3 LEU A 746 15.692 -19.418 2.035 1.00 55.03 H new ATOM 0 HG LEU A 746 17.790 -20.396 1.150 1.00 23.45 H new ATOM 0 HD11 LEU A 746 18.912 -22.194 2.406 1.00 63.23 H new ATOM 0 HD12 LEU A 746 19.023 -20.629 3.246 1.00 63.23 H new ATOM 0 HD13 LEU A 746 17.867 -21.860 3.807 1.00 63.23 H new ATOM 0 HD21 LEU A 746 16.969 -22.713 0.987 1.00 55.41 H new ATOM 0 HD22 LEU A 746 15.837 -22.399 2.324 1.00 55.41 H new ATOM 0 HD23 LEU A 746 15.657 -21.528 0.783 1.00 55.41 H new ATOM 556 N LYS A 748 15.825 -16.080 -0.731 1.00 43.04 N ATOM 557 CA LYS A 748 14.818 -15.233 -1.214 1.00 61.12 C ATOM 558 C LYS A 748 13.541 -15.579 -0.476 1.00 55.11 C ATOM 559 O LYS A 748 13.568 -16.408 0.435 1.00 73.21 O ATOM 560 CB LYS A 748 14.630 -15.492 -2.706 1.00 0.34 C ATOM 561 CG LYS A 748 15.843 -15.205 -3.594 1.00 33.31 C ATOM 562 CD LYS A 748 16.400 -13.803 -3.425 1.00 4.51 C ATOM 563 CE LYS A 748 15.508 -12.753 -4.062 1.00 51.21 C ATOM 564 NZ LYS A 748 16.193 -11.444 -4.167 1.00 11.35 N ATOM 0 HA LYS A 748 15.077 -14.185 -1.061 1.00 61.12 H new ATOM 0 HB2 LYS A 748 14.345 -16.535 -2.840 1.00 0.34 H new ATOM 0 HB3 LYS A 748 13.795 -14.886 -3.058 1.00 0.34 H new ATOM 0 HG2 LYS A 748 16.627 -15.928 -3.369 1.00 33.31 H new ATOM 0 HG3 LYS A 748 15.563 -15.353 -4.637 1.00 33.31 H new ATOM 0 HD2 LYS A 748 16.515 -13.585 -2.363 1.00 4.51 H new ATOM 0 HD3 LYS A 748 17.394 -13.752 -3.870 1.00 4.51 H new ATOM 0 HE2 LYS A 748 15.205 -13.086 -5.055 1.00 51.21 H new ATOM 0 HE3 LYS A 748 14.598 -12.642 -3.472 1.00 51.21 H new ATOM 0 HZ1 LYS A 748 15.566 -10.761 -4.637 1.00 11.35 H new ATOM 0 HZ2 LYS A 748 16.429 -11.099 -3.215 1.00 11.35 H new ATOM 0 HZ3 LYS A 748 17.065 -11.552 -4.723 1.00 11.35 H new ATOM 578 N GLU A 749 12.447 -14.987 -0.853 1.00 30.22 N ATOM 579 CA GLU A 749 11.185 -15.307 -0.234 1.00 33.34 C ATOM 580 C GLU A 749 10.578 -16.551 -0.890 1.00 14.45 C ATOM 581 O GLU A 749 10.137 -17.488 -0.206 1.00 75.45 O ATOM 582 CB GLU A 749 10.225 -14.126 -0.350 1.00 31.45 C ATOM 583 CG GLU A 749 8.925 -14.304 0.415 1.00 22.01 C ATOM 584 CD GLU A 749 9.135 -14.355 1.917 1.00 4.01 C ATOM 585 OE1 GLU A 749 9.208 -13.274 2.555 1.00 22.35 O ATOM 586 OE2 GLU A 749 9.229 -15.469 2.472 1.00 2.23 O ATOM 0 H GLU A 749 12.398 -14.279 -1.586 1.00 30.22 H new ATOM 0 HA GLU A 749 11.355 -15.515 0.823 1.00 33.34 H new ATOM 0 HB2 GLU A 749 10.726 -13.228 0.011 1.00 31.45 H new ATOM 0 HB3 GLU A 749 9.995 -13.961 -1.403 1.00 31.45 H new ATOM 0 HG2 GLU A 749 8.250 -13.483 0.174 1.00 22.01 H new ATOM 0 HG3 GLU A 749 8.438 -15.223 0.088 1.00 22.01 H new ATOM 593 N ALA A 750 10.592 -16.570 -2.212 1.00 61.31 N ATOM 594 CA ALA A 750 9.994 -17.651 -2.983 1.00 24.43 C ATOM 595 C ALA A 750 10.760 -18.971 -2.836 1.00 14.05 C ATOM 596 O ALA A 750 10.272 -20.023 -3.238 1.00 45.33 O ATOM 597 CB ALA A 750 9.879 -17.264 -4.437 1.00 24.22 C ATOM 0 H ALA A 750 11.017 -15.839 -2.782 1.00 61.31 H new ATOM 0 HA ALA A 750 8.996 -17.816 -2.578 1.00 24.43 H new ATOM 0 HB1 ALA A 750 9.430 -18.084 -4.997 1.00 24.22 H new ATOM 0 HB2 ALA A 750 9.253 -16.376 -4.529 1.00 24.22 H new ATOM 0 HB3 ALA A 750 10.871 -17.052 -4.837 1.00 24.22 H new ATOM 603 N THR A 751 11.946 -18.915 -2.254 1.00 12.45 N ATOM 604 CA THR A 751 12.735 -20.118 -2.050 1.00 5.32 C ATOM 605 C THR A 751 12.041 -21.061 -1.026 1.00 61.32 C ATOM 606 O THR A 751 12.220 -22.275 -1.067 1.00 32.42 O ATOM 607 CB THR A 751 14.205 -19.792 -1.588 1.00 43.03 C ATOM 608 OG1 THR A 751 15.028 -20.959 -1.706 1.00 61.21 O ATOM 609 CG2 THR A 751 14.231 -19.315 -0.149 1.00 31.23 C ATOM 0 H THR A 751 12.381 -18.056 -1.917 1.00 12.45 H new ATOM 0 HA THR A 751 12.801 -20.626 -3.012 1.00 5.32 H new ATOM 0 HB THR A 751 14.588 -19.000 -2.231 1.00 43.03 H new ATOM 0 HG1 THR A 751 14.666 -21.673 -1.141 1.00 61.21 H new ATOM 0 HG21 THR A 751 15.258 -19.097 0.144 1.00 31.23 H new ATOM 0 HG22 THR A 751 13.627 -18.412 -0.054 1.00 31.23 H new ATOM 0 HG23 THR A 751 13.826 -20.092 0.499 1.00 31.23 H new ATOM 617 N SER A 752 11.241 -20.477 -0.134 1.00 34.22 N ATOM 618 CA SER A 752 10.485 -21.245 0.831 1.00 64.12 C ATOM 619 C SER A 752 9.083 -21.525 0.275 1.00 24.42 C ATOM 620 O SER A 752 8.336 -22.355 0.801 1.00 42.43 O ATOM 621 CB SER A 752 10.398 -20.476 2.170 1.00 11.13 C ATOM 622 OG SER A 752 9.790 -21.262 3.190 1.00 73.33 O ATOM 0 H SER A 752 11.105 -19.468 -0.067 1.00 34.22 H new ATOM 0 HA SER A 752 10.988 -22.195 1.015 1.00 64.12 H new ATOM 0 HB2 SER A 752 11.399 -20.181 2.486 1.00 11.13 H new ATOM 0 HB3 SER A 752 9.826 -19.560 2.027 1.00 11.13 H new ATOM 0 HG SER A 752 9.253 -21.971 2.780 1.00 73.33 H new ATOM 628 N THR A 753 8.751 -20.830 -0.787 1.00 53.43 N ATOM 629 CA THR A 753 7.488 -20.979 -1.447 1.00 24.21 C ATOM 630 C THR A 753 7.547 -22.155 -2.443 1.00 1.52 C ATOM 631 O THR A 753 6.590 -22.922 -2.589 1.00 13.41 O ATOM 632 CB THR A 753 7.134 -19.672 -2.204 1.00 40.44 C ATOM 633 OG1 THR A 753 7.280 -18.556 -1.307 1.00 74.44 O ATOM 634 CG2 THR A 753 5.712 -19.707 -2.712 1.00 63.13 C ATOM 0 H THR A 753 9.363 -20.137 -1.218 1.00 53.43 H new ATOM 0 HA THR A 753 6.721 -21.183 -0.700 1.00 24.21 H new ATOM 0 HB THR A 753 7.807 -19.573 -3.056 1.00 40.44 H new ATOM 0 HG1 THR A 753 6.910 -17.750 -1.724 1.00 74.44 H new ATOM 0 HG21 THR A 753 5.491 -18.779 -3.239 1.00 63.13 H new ATOM 0 HG22 THR A 753 5.590 -20.549 -3.394 1.00 63.13 H new ATOM 0 HG23 THR A 753 5.028 -19.819 -1.871 1.00 63.13 H new ATOM 642 N PHE A 754 8.671 -22.288 -3.104 1.00 32.21 N ATOM 643 CA PHE A 754 8.890 -23.363 -4.039 1.00 12.11 C ATOM 644 C PHE A 754 9.885 -24.353 -3.470 1.00 52.11 C ATOM 645 O PHE A 754 10.194 -24.321 -2.274 1.00 74.52 O ATOM 646 CB PHE A 754 9.414 -22.818 -5.365 1.00 70.21 C ATOM 647 CG PHE A 754 8.491 -21.867 -6.048 1.00 60.00 C ATOM 648 CD1 PHE A 754 7.290 -22.302 -6.566 1.00 65.51 C ATOM 649 CD2 PHE A 754 8.829 -20.535 -6.181 1.00 43.42 C ATOM 650 CE1 PHE A 754 6.440 -21.427 -7.205 1.00 23.31 C ATOM 651 CE2 PHE A 754 7.985 -19.654 -6.817 1.00 55.04 C ATOM 652 CZ PHE A 754 6.788 -20.099 -7.330 1.00 20.22 C ATOM 0 H PHE A 754 9.462 -21.651 -3.008 1.00 32.21 H new ATOM 0 HA PHE A 754 7.939 -23.866 -4.213 1.00 12.11 H new ATOM 0 HB2 PHE A 754 10.366 -22.317 -5.187 1.00 70.21 H new ATOM 0 HB3 PHE A 754 9.614 -23.655 -6.034 1.00 70.21 H new ATOM 0 HD1 PHE A 754 7.012 -23.341 -6.470 1.00 65.51 H new ATOM 0 HD2 PHE A 754 9.767 -20.180 -5.781 1.00 43.42 H new ATOM 0 HE1 PHE A 754 5.502 -21.781 -7.608 1.00 23.31 H new ATOM 0 HE2 PHE A 754 8.262 -18.614 -6.914 1.00 55.04 H new ATOM 0 HZ PHE A 754 6.123 -19.410 -7.829 1.00 20.22 H new ATOM 662 N THR A 755 10.377 -25.225 -4.307 1.00 4.53 N ATOM 663 CA THR A 755 11.373 -26.180 -3.903 1.00 71.42 C ATOM 664 C THR A 755 12.777 -25.673 -4.262 1.00 50.44 C ATOM 665 O THR A 755 13.555 -25.288 -3.384 1.00 53.21 O ATOM 666 CB THR A 755 11.122 -27.561 -4.555 1.00 61.32 C ATOM 667 OG1 THR A 755 10.975 -27.407 -5.985 1.00 63.23 O ATOM 668 CG2 THR A 755 9.867 -28.188 -3.993 1.00 41.33 C ATOM 0 H THR A 755 10.100 -25.294 -5.286 1.00 4.53 H new ATOM 0 HA THR A 755 11.304 -26.298 -2.822 1.00 71.42 H new ATOM 0 HB THR A 755 11.973 -28.207 -4.338 1.00 61.32 H new ATOM 0 HG1 THR A 755 10.818 -28.284 -6.394 1.00 63.23 H new ATOM 0 HG21 THR A 755 9.704 -29.159 -4.461 1.00 41.33 H new ATOM 0 HG22 THR A 755 9.976 -28.318 -2.916 1.00 41.33 H new ATOM 0 HG23 THR A 755 9.014 -27.540 -4.195 1.00 41.33 H new ATOM 676 N ASN A 756 13.075 -25.656 -5.544 1.00 75.04 N ATOM 677 CA ASN A 756 14.339 -25.156 -6.049 1.00 52.00 C ATOM 678 C ASN A 756 14.151 -24.614 -7.430 1.00 2.12 C ATOM 679 O ASN A 756 13.765 -25.339 -8.344 1.00 71.23 O ATOM 680 CB ASN A 756 15.411 -26.265 -6.065 1.00 40.42 C ATOM 681 CG ASN A 756 16.772 -25.748 -6.540 1.00 33.44 C ATOM 682 OD1 ASN A 756 17.585 -25.271 -5.739 1.00 21.13 O ATOM 683 ND2 ASN A 756 17.029 -25.844 -7.818 1.00 72.34 N ATOM 0 H ASN A 756 12.443 -25.991 -6.271 1.00 75.04 H new ATOM 0 HA ASN A 756 14.682 -24.362 -5.386 1.00 52.00 H new ATOM 0 HB2 ASN A 756 15.513 -26.684 -5.064 1.00 40.42 H new ATOM 0 HB3 ASN A 756 15.084 -27.075 -6.718 1.00 40.42 H new ATOM 0 HD21 ASN A 756 17.924 -25.520 -8.184 1.00 72.34 H new ATOM 0 HD22 ASN A 756 16.334 -26.243 -8.449 1.00 72.34 H new ATOM 690 N ILE A 757 14.396 -23.354 -7.592 1.00 52.11 N ATOM 691 CA ILE A 757 14.255 -22.722 -8.878 1.00 52.55 C ATOM 692 C ILE A 757 15.546 -22.003 -9.227 1.00 12.55 C ATOM 693 O ILE A 757 16.346 -21.702 -8.337 1.00 10.04 O ATOM 694 CB ILE A 757 13.045 -21.695 -8.928 1.00 54.01 C ATOM 695 CG1 ILE A 757 12.037 -21.918 -7.766 1.00 42.33 C ATOM 696 CG2 ILE A 757 12.322 -21.810 -10.252 1.00 44.32 C ATOM 697 CD1 ILE A 757 12.468 -21.329 -6.434 1.00 1.34 C ATOM 0 H ILE A 757 14.699 -22.730 -6.844 1.00 52.11 H new ATOM 0 HA ILE A 757 14.041 -23.506 -9.605 1.00 52.55 H new ATOM 0 HB ILE A 757 13.465 -20.695 -8.817 1.00 54.01 H new ATOM 0 HG12 ILE A 757 11.077 -21.484 -8.047 1.00 42.33 H new ATOM 0 HG13 ILE A 757 11.878 -22.989 -7.641 1.00 42.33 H new ATOM 0 HG21 ILE A 757 11.494 -21.102 -10.277 1.00 44.32 H new ATOM 0 HG22 ILE A 757 13.014 -21.588 -11.065 1.00 44.32 H new ATOM 0 HG23 ILE A 757 11.937 -22.823 -10.370 1.00 44.32 H new ATOM 0 HD11 ILE A 757 11.705 -21.532 -5.682 1.00 1.34 H new ATOM 0 HD12 ILE A 757 13.411 -21.780 -6.125 1.00 1.34 H new ATOM 0 HD13 ILE A 757 12.597 -20.252 -6.537 1.00 1.34 H new ATOM 709 N THR A 758 15.761 -21.733 -10.506 1.00 33.13 N ATOM 710 CA THR A 758 17.001 -21.112 -10.946 1.00 53.54 C ATOM 711 C THR A 758 17.140 -19.662 -10.432 1.00 14.40 C ATOM 712 O THR A 758 18.220 -19.252 -9.996 1.00 33.20 O ATOM 713 CB THR A 758 17.199 -21.191 -12.500 1.00 21.54 C ATOM 714 OG1 THR A 758 18.502 -20.698 -12.859 1.00 71.13 O ATOM 715 CG2 THR A 758 16.136 -20.403 -13.246 1.00 54.15 C ATOM 0 H THR A 758 15.097 -21.933 -11.254 1.00 33.13 H new ATOM 0 HA THR A 758 17.805 -21.695 -10.497 1.00 53.54 H new ATOM 0 HB THR A 758 17.107 -22.238 -12.787 1.00 21.54 H new ATOM 0 HG1 THR A 758 18.616 -20.753 -13.831 1.00 71.13 H new ATOM 0 HG21 THR A 758 16.309 -20.484 -14.319 1.00 54.15 H new ATOM 0 HG22 THR A 758 15.151 -20.804 -13.006 1.00 54.15 H new ATOM 0 HG23 THR A 758 16.184 -19.355 -12.948 1.00 54.15 H new ATOM 723 N TYR A 759 16.054 -18.901 -10.470 1.00 42.05 N ATOM 724 CA TYR A 759 16.068 -17.572 -9.895 1.00 51.31 C ATOM 725 C TYR A 759 15.751 -17.634 -8.448 1.00 15.21 C ATOM 726 O TYR A 759 16.165 -16.767 -7.673 1.00 21.31 O ATOM 727 CB TYR A 759 15.141 -16.634 -10.626 1.00 1.50 C ATOM 728 CG TYR A 759 15.662 -16.220 -11.979 1.00 20.13 C ATOM 729 CD1 TYR A 759 16.570 -15.180 -12.098 1.00 73.53 C ATOM 730 CD2 TYR A 759 15.259 -16.870 -13.130 1.00 50.10 C ATOM 731 CE1 TYR A 759 17.058 -14.800 -13.328 1.00 24.12 C ATOM 732 CE2 TYR A 759 15.742 -16.497 -14.362 1.00 41.44 C ATOM 733 CZ TYR A 759 16.643 -15.460 -14.455 1.00 2.24 C ATOM 734 OH TYR A 759 17.130 -15.085 -15.685 1.00 55.13 O ATOM 0 H TYR A 759 15.166 -19.180 -10.888 1.00 42.05 H new ATOM 0 HA TYR A 759 17.074 -17.167 -10.008 1.00 51.31 H new ATOM 0 HB2 TYR A 759 14.171 -17.115 -10.749 1.00 1.50 H new ATOM 0 HB3 TYR A 759 14.981 -15.744 -10.017 1.00 1.50 H new ATOM 0 HD1 TYR A 759 16.900 -14.659 -11.211 1.00 73.53 H new ATOM 0 HD2 TYR A 759 14.553 -17.684 -13.061 1.00 50.10 H new ATOM 0 HE1 TYR A 759 17.764 -13.986 -13.404 1.00 24.12 H new ATOM 0 HE2 TYR A 759 15.416 -17.015 -15.252 1.00 41.44 H new ATOM 0 HH TYR A 759 16.737 -15.654 -16.380 1.00 55.13 H new ATOM 744 N ARG A 760 14.997 -18.677 -8.067 1.00 40.04 N ATOM 745 CA ARG A 760 14.774 -19.018 -6.678 1.00 73.33 C ATOM 746 C ARG A 760 14.059 -17.883 -5.925 1.00 34.33 C ATOM 747 O ARG A 760 14.135 -17.781 -4.701 1.00 31.03 O ATOM 748 CB ARG A 760 16.114 -19.351 -6.046 1.00 22.14 C ATOM 749 CG ARG A 760 16.059 -20.081 -4.753 1.00 54.32 C ATOM 750 CD ARG A 760 17.428 -20.517 -4.387 1.00 52.54 C ATOM 751 NE ARG A 760 17.506 -21.091 -3.061 1.00 12.11 N ATOM 752 CZ ARG A 760 18.651 -21.322 -2.417 1.00 32.13 C ATOM 753 NH1 ARG A 760 19.821 -21.020 -2.998 1.00 11.15 N ATOM 754 NH2 ARG A 760 18.635 -21.858 -1.204 1.00 11.11 N ATOM 0 H ARG A 760 14.530 -19.301 -8.725 1.00 40.04 H new ATOM 0 HA ARG A 760 14.117 -19.885 -6.616 1.00 73.33 H new ATOM 0 HB2 ARG A 760 16.689 -19.948 -6.754 1.00 22.14 H new ATOM 0 HB3 ARG A 760 16.663 -18.422 -5.893 1.00 22.14 H new ATOM 0 HG2 ARG A 760 15.648 -19.438 -3.975 1.00 54.32 H new ATOM 0 HG3 ARG A 760 15.398 -20.944 -4.836 1.00 54.32 H new ATOM 0 HD2 ARG A 760 17.776 -21.250 -5.115 1.00 52.54 H new ATOM 0 HD3 ARG A 760 18.103 -19.663 -4.447 1.00 52.54 H new ATOM 0 HE ARG A 760 16.634 -21.333 -2.591 1.00 12.11 H new ATOM 0 HH11 ARG A 760 19.836 -20.613 -3.933 1.00 11.15 H new ATOM 0 HH12 ARG A 760 20.696 -21.197 -2.505 1.00 11.15 H new ATOM 0 HH21 ARG A 760 17.746 -22.094 -0.762 1.00 11.11 H new ATOM 0 HH22 ARG A 760 19.511 -22.034 -0.713 1.00 11.11 H new ATOM 768 N GLY A 761 13.343 -17.085 -6.660 1.00 3.31 N ATOM 769 CA GLY A 761 12.704 -15.951 -6.094 1.00 4.54 C ATOM 770 C GLY A 761 12.428 -14.875 -7.109 1.00 51.32 C ATOM 771 O GLY A 761 12.356 -13.700 -6.767 1.00 53.33 O ATOM 0 H GLY A 761 13.190 -17.206 -7.661 1.00 3.31 H new ATOM 0 HA2 GLY A 761 11.766 -16.260 -5.633 1.00 4.54 H new ATOM 0 HA3 GLY A 761 13.330 -15.544 -5.300 1.00 4.54 H new ATOM 775 N THR A 762 12.292 -15.267 -8.350 1.00 61.54 N ATOM 776 CA THR A 762 11.958 -14.343 -9.402 1.00 43.21 C ATOM 777 C THR A 762 10.462 -13.942 -9.317 1.00 12.10 C ATOM 778 O THR A 762 9.584 -14.816 -9.518 1.00 71.21 O ATOM 779 CB THR A 762 12.305 -14.928 -10.819 1.00 21.15 C ATOM 780 OG1 THR A 762 11.889 -14.034 -11.861 1.00 43.20 O ATOM 781 CG2 THR A 762 11.675 -16.293 -11.023 1.00 61.34 C ATOM 782 OXT THR A 762 10.178 -12.782 -9.028 1.00 38.03 O ATOM 0 H THR A 762 12.409 -16.232 -8.658 1.00 61.54 H new ATOM 0 HA THR A 762 12.564 -13.448 -9.265 1.00 43.21 H new ATOM 0 HB THR A 762 13.388 -15.040 -10.867 1.00 21.15 H new ATOM 0 HG1 THR A 762 12.117 -14.419 -12.733 1.00 43.20 H new ATOM 0 HG21 THR A 762 11.934 -16.669 -12.013 1.00 61.34 H new ATOM 0 HG22 THR A 762 12.046 -16.982 -10.264 1.00 61.34 H new ATOM 0 HG23 THR A 762 10.591 -16.210 -10.939 1.00 61.34 H new