USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=13 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 -42:sc= 0.0125 USER MOD Single : A 722 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=-0.009) USER MOD Single : A 725 LYS NZ :NH3+ 143:sc= 0.301 (180deg=0.0126) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 738 LYS NZ :NH3+ 172:sc=-0.00196 (180deg=-0.0867) USER MOD Single : A 741 THR OG1 : rot -23:sc= 0.0572 USER MOD Single : A 743 ASN :FLIP amide:sc= -1.28 F(o=-2.8!,f=-1.3) USER MOD Single : A 744 ASN :FLIP amide:sc= -1.37! C(o=-2.8!,f=-1.4!) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 751 THR OG1 : rot 133:sc= -0.436 USER MOD Single : A 752 SER OG : rot -160:sc= 0 USER MOD Single : A 753 THR OG1 : rot 180:sc= -0.0833 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0 USER MOD Single : A 756 ASN : amide:sc= 0 X(o=0,f=-0.023) 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 4.041 -5.278 1.231 1.00 54.02 N ATOM 24 CA LEU A 717 4.581 -6.403 0.443 1.00 51.41 C ATOM 25 C LEU A 717 3.993 -6.472 -0.962 1.00 1.14 C ATOM 26 O LEU A 717 4.718 -6.691 -1.922 1.00 23.21 O ATOM 27 CB LEU A 717 4.355 -7.720 1.163 1.00 51.23 C ATOM 28 CG LEU A 717 4.799 -8.974 0.405 1.00 32.51 C ATOM 29 CD1 LEU A 717 6.315 -9.116 0.420 1.00 12.11 C ATOM 30 CD2 LEU A 717 4.124 -10.212 0.955 1.00 1.44 C ATOM 0 HA LEU A 717 5.651 -6.224 0.340 1.00 51.41 H new ATOM 0 HB2 LEU A 717 4.883 -7.688 2.116 1.00 51.23 H new ATOM 0 HB3 LEU A 717 3.293 -7.812 1.390 1.00 51.23 H new ATOM 0 HG LEU A 717 4.488 -8.864 -0.634 1.00 32.51 H new ATOM 0 HD11 LEU A 717 6.602 -10.015 -0.126 1.00 12.11 H new ATOM 0 HD12 LEU A 717 6.767 -8.244 -0.054 1.00 12.11 H new ATOM 0 HD13 LEU A 717 6.663 -9.190 1.450 1.00 12.11 H new ATOM 0 HD21 LEU A 717 4.458 -11.087 0.397 1.00 1.44 H new ATOM 0 HD22 LEU A 717 4.384 -10.331 2.007 1.00 1.44 H new ATOM 0 HD23 LEU A 717 3.043 -10.111 0.857 1.00 1.44 H new ATOM 42 N LEU A 718 2.694 -6.264 -1.072 1.00 65.32 N ATOM 43 CA LEU A 718 1.999 -6.310 -2.376 1.00 50.41 C ATOM 44 C LEU A 718 2.615 -5.326 -3.382 1.00 13.34 C ATOM 45 O LEU A 718 2.485 -5.494 -4.594 1.00 61.42 O ATOM 46 CB LEU A 718 0.470 -6.029 -2.219 1.00 14.12 C ATOM 47 CG LEU A 718 0.045 -4.577 -1.840 1.00 31.53 C ATOM 48 CD1 LEU A 718 -1.456 -4.415 -1.979 1.00 21.21 C ATOM 49 CD2 LEU A 718 0.480 -4.224 -0.420 1.00 74.24 C ATOM 0 H LEU A 718 2.084 -6.060 -0.280 1.00 65.32 H new ATOM 0 HA LEU A 718 2.126 -7.320 -2.765 1.00 50.41 H new ATOM 0 HB2 LEU A 718 -0.019 -6.289 -3.158 1.00 14.12 H new ATOM 0 HB3 LEU A 718 0.079 -6.704 -1.458 1.00 14.12 H new ATOM 0 HG LEU A 718 0.544 -3.893 -2.527 1.00 31.53 H new ATOM 0 HD11 LEU A 718 -1.738 -3.397 -1.711 1.00 21.21 H new ATOM 0 HD12 LEU A 718 -1.750 -4.614 -3.010 1.00 21.21 H new ATOM 0 HD13 LEU A 718 -1.961 -5.118 -1.316 1.00 21.21 H new ATOM 0 HD21 LEU A 718 0.169 -3.206 -0.187 1.00 74.24 H new ATOM 0 HD22 LEU A 718 0.018 -4.915 0.285 1.00 74.24 H new ATOM 0 HD23 LEU A 718 1.565 -4.299 -0.343 1.00 74.24 H new ATOM 61 N ILE A 719 3.278 -4.320 -2.871 1.00 72.44 N ATOM 62 CA ILE A 719 3.896 -3.328 -3.698 1.00 11.43 C ATOM 63 C ILE A 719 5.421 -3.559 -3.777 1.00 72.03 C ATOM 64 O ILE A 719 6.051 -3.285 -4.810 1.00 13.11 O ATOM 65 CB ILE A 719 3.615 -1.891 -3.155 1.00 53.11 C ATOM 66 CG1 ILE A 719 2.096 -1.643 -3.031 1.00 43.14 C ATOM 67 CG2 ILE A 719 4.256 -0.836 -4.049 1.00 24.24 C ATOM 68 CD1 ILE A 719 1.337 -1.752 -4.346 1.00 75.04 C ATOM 0 H ILE A 719 3.402 -4.170 -1.870 1.00 72.44 H new ATOM 0 HA ILE A 719 3.467 -3.417 -4.696 1.00 11.43 H new ATOM 0 HB ILE A 719 4.060 -1.813 -2.163 1.00 53.11 H new ATOM 0 HG12 ILE A 719 1.679 -2.359 -2.323 1.00 43.14 H new ATOM 0 HG13 ILE A 719 1.934 -0.650 -2.612 1.00 43.14 H new ATOM 0 HG21 ILE A 719 4.046 0.156 -3.649 1.00 24.24 H new ATOM 0 HG22 ILE A 719 5.334 -0.993 -4.082 1.00 24.24 H new ATOM 0 HG23 ILE A 719 3.847 -0.915 -5.056 1.00 24.24 H new ATOM 0 HD11 ILE A 719 0.278 -1.564 -4.171 1.00 75.04 H new ATOM 0 HD12 ILE A 719 1.724 -1.017 -5.052 1.00 75.04 H new ATOM 0 HD13 ILE A 719 1.465 -2.753 -4.758 1.00 75.04 H new ATOM 80 N THR A 720 5.999 -4.106 -2.697 1.00 24.42 N ATOM 81 CA THR A 720 7.445 -4.251 -2.594 1.00 25.23 C ATOM 82 C THR A 720 7.979 -5.314 -3.570 1.00 61.23 C ATOM 83 O THR A 720 9.176 -5.397 -3.810 1.00 65.35 O ATOM 84 CB THR A 720 7.886 -4.607 -1.135 1.00 12.33 C ATOM 85 OG1 THR A 720 9.267 -4.255 -0.945 1.00 75.41 O ATOM 86 CG2 THR A 720 7.713 -6.095 -0.872 1.00 43.23 C ATOM 0 H THR A 720 5.482 -4.452 -1.889 1.00 24.42 H new ATOM 0 HA THR A 720 7.874 -3.285 -2.862 1.00 25.23 H new ATOM 0 HB THR A 720 7.260 -4.047 -0.440 1.00 12.33 H new ATOM 0 HG1 THR A 720 9.783 -4.516 -1.736 1.00 75.41 H new ATOM 0 HG21 THR A 720 8.025 -6.323 0.147 1.00 43.23 H new ATOM 0 HG22 THR A 720 6.666 -6.368 -1.001 1.00 43.23 H new ATOM 0 HG23 THR A 720 8.325 -6.662 -1.574 1.00 43.23 H new ATOM 94 N ILE A 721 7.075 -6.102 -4.135 1.00 24.22 N ATOM 95 CA ILE A 721 7.443 -7.167 -5.056 1.00 21.13 C ATOM 96 C ILE A 721 8.221 -6.617 -6.238 1.00 73.23 C ATOM 97 O ILE A 721 9.142 -7.254 -6.744 1.00 33.31 O ATOM 98 CB ILE A 721 6.199 -7.901 -5.580 1.00 51.22 C ATOM 99 CG1 ILE A 721 5.368 -8.458 -4.421 1.00 70.14 C ATOM 100 CG2 ILE A 721 6.593 -9.007 -6.546 1.00 75.33 C ATOM 101 CD1 ILE A 721 6.137 -9.389 -3.501 1.00 62.23 C ATOM 0 H ILE A 721 6.072 -6.022 -3.969 1.00 24.22 H new ATOM 0 HA ILE A 721 8.068 -7.868 -4.503 1.00 21.13 H new ATOM 0 HB ILE A 721 5.583 -7.183 -6.122 1.00 51.22 H new ATOM 0 HG12 ILE A 721 4.977 -7.626 -3.835 1.00 70.14 H new ATOM 0 HG13 ILE A 721 4.509 -8.993 -4.827 1.00 70.14 H new ATOM 0 HG21 ILE A 721 5.697 -9.513 -6.904 1.00 75.33 H new ATOM 0 HG22 ILE A 721 7.130 -8.577 -7.392 1.00 75.33 H new ATOM 0 HG23 ILE A 721 7.235 -9.724 -6.035 1.00 75.33 H new ATOM 0 HD11 ILE A 721 5.479 -9.741 -2.706 1.00 62.23 H new ATOM 0 HD12 ILE A 721 6.505 -10.242 -4.071 1.00 62.23 H new ATOM 0 HD13 ILE A 721 6.980 -8.854 -3.064 1.00 62.23 H new ATOM 113 N HIS A 722 7.876 -5.442 -6.653 1.00 42.00 N ATOM 114 CA HIS A 722 8.522 -4.842 -7.768 1.00 54.32 C ATOM 115 C HIS A 722 9.930 -4.405 -7.399 1.00 20.22 C ATOM 116 O HIS A 722 10.846 -4.441 -8.222 1.00 4.20 O ATOM 117 CB HIS A 722 7.730 -3.666 -8.265 1.00 1.51 C ATOM 118 CG HIS A 722 7.984 -3.383 -9.679 1.00 61.31 C ATOM 119 ND1 HIS A 722 8.524 -2.210 -10.137 1.00 31.12 N ATOM 120 CD2 HIS A 722 7.765 -4.137 -10.748 1.00 14.53 C ATOM 121 CE1 HIS A 722 8.622 -2.259 -11.441 1.00 72.54 C ATOM 122 NE2 HIS A 722 8.167 -3.421 -11.841 1.00 3.14 N ATOM 0 H HIS A 722 7.141 -4.875 -6.229 1.00 42.00 H new ATOM 0 HA HIS A 722 8.585 -5.583 -8.565 1.00 54.32 H new ATOM 0 HB2 HIS A 722 6.667 -3.859 -8.121 1.00 1.51 H new ATOM 0 HB3 HIS A 722 7.978 -2.787 -7.670 1.00 1.51 H new ATOM 0 HD2 HIS A 722 7.346 -5.133 -10.754 1.00 14.53 H new ATOM 0 HE1 HIS A 722 9.010 -1.477 -12.077 1.00 72.54 H new ATOM 0 HE2 HIS A 722 8.120 -3.739 -12.809 1.00 3.14 H new ATOM 131 N ASP A 723 10.097 -4.029 -6.174 1.00 4.33 N ATOM 132 CA ASP A 723 11.370 -3.537 -5.698 1.00 5.23 C ATOM 133 C ASP A 723 12.203 -4.645 -5.101 1.00 53.33 C ATOM 134 O ASP A 723 13.340 -4.428 -4.713 1.00 53.12 O ATOM 135 CB ASP A 723 11.179 -2.425 -4.670 1.00 1.24 C ATOM 136 CG ASP A 723 10.418 -1.249 -5.210 1.00 72.20 C ATOM 137 OD1 ASP A 723 10.898 -0.613 -6.158 1.00 40.25 O ATOM 138 OD2 ASP A 723 9.327 -0.952 -4.684 1.00 74.53 O ATOM 0 H ASP A 723 9.362 -4.050 -5.467 1.00 4.33 H new ATOM 0 HA ASP A 723 11.900 -3.133 -6.561 1.00 5.23 H new ATOM 0 HB2 ASP A 723 10.651 -2.825 -3.804 1.00 1.24 H new ATOM 0 HB3 ASP A 723 12.155 -2.089 -4.321 1.00 1.24 H new ATOM 143 N ARG A 724 11.643 -5.829 -5.015 1.00 3.22 N ATOM 144 CA ARG A 724 12.385 -6.952 -4.481 1.00 41.25 C ATOM 145 C ARG A 724 13.368 -7.470 -5.513 1.00 34.40 C ATOM 146 O ARG A 724 14.413 -8.001 -5.182 1.00 1.12 O ATOM 147 CB ARG A 724 11.451 -8.080 -3.965 1.00 40.43 C ATOM 148 CG ARG A 724 10.850 -8.979 -5.029 1.00 61.55 C ATOM 149 CD ARG A 724 9.928 -9.996 -4.396 1.00 35.20 C ATOM 150 NE ARG A 724 9.331 -10.908 -5.369 1.00 23.54 N ATOM 151 CZ ARG A 724 8.577 -11.965 -5.036 1.00 2.11 C ATOM 152 NH1 ARG A 724 8.308 -12.210 -3.760 1.00 24.03 N ATOM 153 NH2 ARG A 724 8.091 -12.761 -5.973 1.00 4.23 N ATOM 0 H ARG A 724 10.688 -6.041 -5.303 1.00 3.22 H new ATOM 0 HA ARG A 724 12.947 -6.599 -3.616 1.00 41.25 H new ATOM 0 HB2 ARG A 724 12.013 -8.701 -3.267 1.00 40.43 H new ATOM 0 HB3 ARG A 724 10.638 -7.623 -3.401 1.00 40.43 H new ATOM 0 HG2 ARG A 724 10.299 -8.379 -5.753 1.00 61.55 H new ATOM 0 HG3 ARG A 724 11.644 -9.488 -5.576 1.00 61.55 H new ATOM 0 HD2 ARG A 724 10.485 -10.574 -3.658 1.00 35.20 H new ATOM 0 HD3 ARG A 724 9.135 -9.475 -3.860 1.00 35.20 H new ATOM 0 HE ARG A 724 9.498 -10.730 -6.359 1.00 23.54 H new ATOM 0 HH11 ARG A 724 8.675 -11.594 -3.034 1.00 24.03 H new ATOM 0 HH12 ARG A 724 7.734 -13.014 -3.505 1.00 24.03 H new ATOM 0 HH21 ARG A 724 8.289 -12.572 -6.956 1.00 4.23 H new ATOM 0 HH22 ARG A 724 7.518 -13.564 -5.713 1.00 4.23 H new ATOM 167 N LYS A 725 13.024 -7.326 -6.745 1.00 54.45 N ATOM 168 CA LYS A 725 13.928 -7.654 -7.793 1.00 41.11 C ATOM 169 C LYS A 725 14.927 -6.522 -8.047 1.00 41.55 C ATOM 170 O LYS A 725 16.110 -6.762 -8.202 1.00 62.14 O ATOM 171 CB LYS A 725 13.188 -8.055 -9.058 1.00 21.42 C ATOM 172 CG LYS A 725 12.346 -9.305 -8.887 1.00 30.12 C ATOM 173 CD LYS A 725 13.189 -10.459 -8.358 1.00 62.15 C ATOM 174 CE LYS A 725 12.346 -11.672 -8.041 1.00 13.14 C ATOM 175 NZ LYS A 725 11.752 -12.272 -9.252 1.00 61.31 N ATOM 0 H LYS A 725 12.116 -6.980 -7.054 1.00 54.45 H new ATOM 0 HA LYS A 725 14.505 -8.521 -7.472 1.00 41.11 H new ATOM 0 HB2 LYS A 725 12.546 -7.232 -9.372 1.00 21.42 H new ATOM 0 HB3 LYS A 725 13.911 -8.218 -9.858 1.00 21.42 H new ATOM 0 HG2 LYS A 725 11.525 -9.104 -8.199 1.00 30.12 H new ATOM 0 HG3 LYS A 725 11.901 -9.582 -9.843 1.00 30.12 H new ATOM 0 HD2 LYS A 725 13.945 -10.725 -9.097 1.00 62.15 H new ATOM 0 HD3 LYS A 725 13.719 -10.140 -7.460 1.00 62.15 H new ATOM 0 HE2 LYS A 725 12.960 -12.416 -7.533 1.00 13.14 H new ATOM 0 HE3 LYS A 725 11.551 -11.389 -7.351 1.00 13.14 H new ATOM 0 HZ1 LYS A 725 11.743 -13.308 -9.158 1.00 61.31 H new ATOM 0 HZ2 LYS A 725 10.778 -11.927 -9.368 1.00 61.31 H new ATOM 0 HZ3 LYS A 725 12.316 -12.005 -10.084 1.00 61.31 H new ATOM 189 N GLU A 726 14.428 -5.288 -8.090 1.00 71.43 N ATOM 190 CA GLU A 726 15.284 -4.131 -8.361 1.00 73.41 C ATOM 191 C GLU A 726 16.144 -3.730 -7.131 1.00 54.11 C ATOM 192 O GLU A 726 17.373 -3.814 -7.166 1.00 30.14 O ATOM 193 CB GLU A 726 14.441 -2.933 -8.840 1.00 23.10 C ATOM 194 CG GLU A 726 15.265 -1.697 -9.192 1.00 61.14 C ATOM 195 CD GLU A 726 14.424 -0.553 -9.706 1.00 22.21 C ATOM 196 OE1 GLU A 726 13.933 0.260 -8.882 1.00 23.04 O ATOM 197 OE2 GLU A 726 14.248 -0.448 -10.941 1.00 32.51 O ATOM 0 H GLU A 726 13.444 -5.063 -7.942 1.00 71.43 H new ATOM 0 HA GLU A 726 15.972 -4.423 -9.154 1.00 73.41 H new ATOM 0 HB2 GLU A 726 13.864 -3.234 -9.715 1.00 23.10 H new ATOM 0 HB3 GLU A 726 13.725 -2.670 -8.061 1.00 23.10 H new ATOM 0 HG2 GLU A 726 15.813 -1.369 -8.309 1.00 61.14 H new ATOM 0 HG3 GLU A 726 16.005 -1.964 -9.946 1.00 61.14 H new ATOM 204 N PHE A 727 15.482 -3.324 -6.057 1.00 71.10 N ATOM 205 CA PHE A 727 16.162 -2.771 -4.881 1.00 31.31 C ATOM 206 C PHE A 727 16.755 -3.841 -3.992 1.00 4.13 C ATOM 207 O PHE A 727 17.899 -3.730 -3.566 1.00 51.02 O ATOM 208 CB PHE A 727 15.212 -1.885 -4.071 1.00 23.13 C ATOM 209 CG PHE A 727 15.802 -1.384 -2.782 1.00 60.31 C ATOM 210 CD1 PHE A 727 16.912 -0.557 -2.787 1.00 33.55 C ATOM 211 CD2 PHE A 727 15.249 -1.745 -1.570 1.00 42.33 C ATOM 212 CE1 PHE A 727 17.454 -0.100 -1.606 1.00 11.54 C ATOM 213 CE2 PHE A 727 15.784 -1.294 -0.388 1.00 13.04 C ATOM 214 CZ PHE A 727 16.890 -0.469 -0.403 1.00 21.22 C ATOM 0 H PHE A 727 14.467 -3.365 -5.970 1.00 71.10 H new ATOM 0 HA PHE A 727 16.988 -2.167 -5.257 1.00 31.31 H new ATOM 0 HB2 PHE A 727 14.917 -1.031 -4.681 1.00 23.13 H new ATOM 0 HB3 PHE A 727 14.305 -2.447 -3.850 1.00 23.13 H new ATOM 0 HD1 PHE A 727 17.358 -0.267 -3.727 1.00 33.55 H new ATOM 0 HD2 PHE A 727 14.384 -2.391 -1.551 1.00 42.33 H new ATOM 0 HE1 PHE A 727 18.319 0.546 -1.622 1.00 11.54 H new ATOM 0 HE2 PHE A 727 15.339 -1.585 0.552 1.00 13.04 H new ATOM 0 HZ PHE A 727 17.313 -0.113 0.525 1.00 21.22 H new ATOM 224 N ALA A 728 15.976 -4.868 -3.699 1.00 4.54 N ATOM 225 CA ALA A 728 16.420 -5.918 -2.783 1.00 12.24 C ATOM 226 C ALA A 728 17.700 -6.532 -3.245 1.00 72.22 C ATOM 227 O ALA A 728 18.594 -6.730 -2.476 1.00 13.12 O ATOM 228 CB ALA A 728 15.373 -6.965 -2.625 1.00 13.31 C ATOM 0 H ALA A 728 15.038 -5.002 -4.077 1.00 4.54 H new ATOM 0 HA ALA A 728 16.595 -5.454 -1.812 1.00 12.24 H new ATOM 0 HB1 ALA A 728 15.728 -7.734 -1.939 1.00 13.31 H new ATOM 0 HB2 ALA A 728 14.465 -6.514 -2.226 1.00 13.31 H new ATOM 0 HB3 ALA A 728 15.159 -7.415 -3.595 1.00 13.31 H new ATOM 234 N LYS A 729 17.782 -6.806 -4.519 1.00 45.22 N ATOM 235 CA LYS A 729 18.975 -7.388 -5.102 1.00 33.51 C ATOM 236 C LYS A 729 20.187 -6.484 -4.959 1.00 74.21 C ATOM 237 O LYS A 729 21.327 -6.960 -4.911 1.00 2.21 O ATOM 238 CB LYS A 729 18.739 -7.742 -6.541 1.00 10.22 C ATOM 239 CG LYS A 729 17.974 -9.041 -6.756 1.00 13.42 C ATOM 240 CD LYS A 729 18.807 -10.259 -6.359 1.00 71.13 C ATOM 241 CE LYS A 729 18.561 -10.695 -4.919 1.00 44.14 C ATOM 242 NZ LYS A 729 19.286 -11.929 -4.603 1.00 51.23 N ATOM 0 H LYS A 729 17.029 -6.635 -5.186 1.00 45.22 H new ATOM 0 HA LYS A 729 19.193 -8.300 -4.547 1.00 33.51 H new ATOM 0 HB2 LYS A 729 18.190 -6.929 -7.016 1.00 10.22 H new ATOM 0 HB3 LYS A 729 19.702 -7.815 -7.047 1.00 10.22 H new ATOM 0 HG2 LYS A 729 17.054 -9.023 -6.171 1.00 13.42 H new ATOM 0 HG3 LYS A 729 17.684 -9.124 -7.804 1.00 13.42 H new ATOM 0 HD2 LYS A 729 18.576 -11.087 -7.030 1.00 71.13 H new ATOM 0 HD3 LYS A 729 19.864 -10.029 -6.489 1.00 71.13 H new ATOM 0 HE2 LYS A 729 18.874 -9.903 -4.239 1.00 44.14 H new ATOM 0 HE3 LYS A 729 17.493 -10.848 -4.761 1.00 44.14 H new ATOM 0 HZ1 LYS A 729 19.098 -12.199 -3.616 1.00 51.23 H new ATOM 0 HZ2 LYS A 729 18.969 -12.690 -5.237 1.00 51.23 H new ATOM 0 HZ3 LYS A 729 20.306 -11.775 -4.731 1.00 51.23 H new ATOM 256 N PHE A 730 19.950 -5.206 -4.884 1.00 65.24 N ATOM 257 CA PHE A 730 21.008 -4.261 -4.702 1.00 34.21 C ATOM 258 C PHE A 730 21.457 -4.290 -3.271 1.00 34.04 C ATOM 259 O PHE A 730 22.643 -4.433 -2.975 1.00 4.24 O ATOM 260 CB PHE A 730 20.524 -2.866 -5.047 1.00 61.43 C ATOM 261 CG PHE A 730 21.633 -1.899 -5.368 1.00 1.21 C ATOM 262 CD1 PHE A 730 22.127 -1.795 -6.655 1.00 74.31 C ATOM 263 CD2 PHE A 730 22.181 -1.100 -4.381 1.00 61.32 C ATOM 264 CE1 PHE A 730 23.146 -0.911 -6.953 1.00 61.22 C ATOM 265 CE2 PHE A 730 23.201 -0.215 -4.671 1.00 31.34 C ATOM 266 CZ PHE A 730 23.684 -0.121 -5.959 1.00 53.42 C ATOM 0 H PHE A 730 19.020 -4.793 -4.947 1.00 65.24 H new ATOM 0 HA PHE A 730 21.839 -4.523 -5.357 1.00 34.21 H new ATOM 0 HB2 PHE A 730 19.849 -2.927 -5.901 1.00 61.43 H new ATOM 0 HB3 PHE A 730 19.945 -2.475 -4.210 1.00 61.43 H new ATOM 0 HD1 PHE A 730 21.711 -2.413 -7.437 1.00 74.31 H new ATOM 0 HD2 PHE A 730 21.806 -1.169 -3.370 1.00 61.32 H new ATOM 0 HE1 PHE A 730 23.521 -0.839 -7.963 1.00 61.22 H new ATOM 0 HE2 PHE A 730 23.620 0.402 -3.890 1.00 31.34 H new ATOM 0 HZ PHE A 730 24.482 0.570 -6.189 1.00 53.42 H new ATOM 276 N GLU A 731 20.493 -4.187 -2.378 1.00 50.13 N ATOM 277 CA GLU A 731 20.758 -4.087 -0.979 1.00 13.04 C ATOM 278 C GLU A 731 21.295 -5.407 -0.407 1.00 14.24 C ATOM 279 O GLU A 731 22.051 -5.395 0.534 1.00 13.41 O ATOM 280 CB GLU A 731 19.501 -3.633 -0.220 1.00 13.13 C ATOM 281 CG GLU A 731 18.479 -4.735 0.031 1.00 72.23 C ATOM 282 CD GLU A 731 17.386 -4.324 0.990 1.00 32.50 C ATOM 283 OE1 GLU A 731 17.705 -3.976 2.156 1.00 71.13 O ATOM 284 OE2 GLU A 731 16.206 -4.375 0.607 1.00 61.21 O ATOM 0 H GLU A 731 19.501 -4.171 -2.616 1.00 50.13 H new ATOM 0 HA GLU A 731 21.534 -3.334 -0.844 1.00 13.04 H new ATOM 0 HB2 GLU A 731 19.804 -3.211 0.738 1.00 13.13 H new ATOM 0 HB3 GLU A 731 19.022 -2.832 -0.783 1.00 13.13 H new ATOM 0 HG2 GLU A 731 18.030 -5.028 -0.918 1.00 72.23 H new ATOM 0 HG3 GLU A 731 18.990 -5.613 0.427 1.00 72.23 H new ATOM 291 N GLU A 732 20.886 -6.549 -1.023 1.00 45.11 N ATOM 292 CA GLU A 732 21.292 -7.905 -0.580 1.00 1.51 C ATOM 293 C GLU A 732 22.772 -8.001 -0.314 1.00 73.02 C ATOM 294 O GLU A 732 23.188 -8.643 0.636 1.00 50.12 O ATOM 295 CB GLU A 732 20.890 -8.943 -1.624 1.00 31.12 C ATOM 296 CG GLU A 732 19.452 -9.402 -1.532 1.00 21.44 C ATOM 297 CD GLU A 732 19.198 -10.294 -0.354 1.00 24.22 C ATOM 298 OE1 GLU A 732 19.643 -11.454 -0.381 1.00 4.42 O ATOM 299 OE2 GLU A 732 18.540 -9.846 0.609 1.00 34.24 O ATOM 0 H GLU A 732 20.269 -6.553 -1.835 1.00 45.11 H new ATOM 0 HA GLU A 732 20.774 -8.103 0.358 1.00 1.51 H new ATOM 0 HB2 GLU A 732 21.062 -8.527 -2.617 1.00 31.12 H new ATOM 0 HB3 GLU A 732 21.542 -9.811 -1.525 1.00 31.12 H new ATOM 0 HG2 GLU A 732 18.801 -8.530 -1.468 1.00 21.44 H new ATOM 0 HG3 GLU A 732 19.186 -9.932 -2.447 1.00 21.44 H new ATOM 306 N GLU A 733 23.563 -7.360 -1.151 1.00 64.44 N ATOM 307 CA GLU A 733 25.009 -7.387 -0.997 1.00 0.34 C ATOM 308 C GLU A 733 25.439 -6.819 0.353 1.00 41.15 C ATOM 309 O GLU A 733 26.139 -7.472 1.105 1.00 2.54 O ATOM 310 CB GLU A 733 25.692 -6.640 -2.132 1.00 35.13 C ATOM 311 CG GLU A 733 25.480 -7.271 -3.487 1.00 11.11 C ATOM 312 CD GLU A 733 26.232 -6.564 -4.577 1.00 21.43 C ATOM 313 OE1 GLU A 733 27.421 -6.878 -4.782 1.00 21.21 O ATOM 314 OE2 GLU A 733 25.643 -5.692 -5.243 1.00 30.01 O ATOM 0 H GLU A 733 23.232 -6.813 -1.946 1.00 64.44 H new ATOM 0 HA GLU A 733 25.321 -8.431 -1.035 1.00 0.34 H new ATOM 0 HB2 GLU A 733 25.321 -5.615 -2.156 1.00 35.13 H new ATOM 0 HB3 GLU A 733 26.762 -6.587 -1.929 1.00 35.13 H new ATOM 0 HG2 GLU A 733 25.795 -8.314 -3.451 1.00 11.11 H new ATOM 0 HG3 GLU A 733 24.416 -7.267 -3.723 1.00 11.11 H new ATOM 321 N ARG A 734 24.995 -5.613 0.659 1.00 64.31 N ATOM 322 CA ARG A 734 25.363 -4.973 1.917 1.00 50.31 C ATOM 323 C ARG A 734 24.520 -5.490 3.092 1.00 45.01 C ATOM 324 O ARG A 734 24.973 -5.500 4.238 1.00 33.15 O ATOM 325 CB ARG A 734 25.324 -3.409 1.804 1.00 13.24 C ATOM 326 CG ARG A 734 23.969 -2.791 1.385 1.00 11.43 C ATOM 327 CD ARG A 734 22.978 -2.727 2.545 1.00 53.11 C ATOM 328 NE ARG A 734 23.523 -1.991 3.693 1.00 71.33 N ATOM 329 CZ ARG A 734 22.830 -1.643 4.775 1.00 32.44 C ATOM 330 NH1 ARG A 734 21.528 -1.886 4.846 1.00 2.24 N ATOM 331 NH2 ARG A 734 23.438 -1.025 5.770 1.00 64.24 N ATOM 0 H ARG A 734 24.383 -5.057 0.061 1.00 64.31 H new ATOM 0 HA ARG A 734 26.396 -5.250 2.129 1.00 50.31 H new ATOM 0 HB2 ARG A 734 25.610 -2.988 2.768 1.00 13.24 H new ATOM 0 HB3 ARG A 734 26.080 -3.098 1.084 1.00 13.24 H new ATOM 0 HG2 ARG A 734 24.135 -1.786 0.996 1.00 11.43 H new ATOM 0 HG3 ARG A 734 23.539 -3.379 0.575 1.00 11.43 H new ATOM 0 HD2 ARG A 734 22.058 -2.247 2.210 1.00 53.11 H new ATOM 0 HD3 ARG A 734 22.716 -3.739 2.854 1.00 53.11 H new ATOM 0 HE ARG A 734 24.507 -1.726 3.659 1.00 71.33 H new ATOM 0 HH11 ARG A 734 21.051 -2.342 4.068 1.00 2.24 H new ATOM 0 HH12 ARG A 734 21.004 -1.617 5.678 1.00 2.24 H new ATOM 0 HH21 ARG A 734 24.434 -0.816 5.708 1.00 64.24 H new ATOM 0 HH22 ARG A 734 22.911 -0.756 6.601 1.00 64.24 H new ATOM 345 N ALA A 735 23.311 -5.925 2.794 1.00 40.50 N ATOM 346 CA ALA A 735 22.399 -6.420 3.808 1.00 21.53 C ATOM 347 C ALA A 735 22.869 -7.745 4.347 1.00 14.12 C ATOM 348 O ALA A 735 23.043 -7.910 5.548 1.00 62.34 O ATOM 349 CB ALA A 735 20.983 -6.538 3.244 1.00 50.25 C ATOM 0 H ALA A 735 22.934 -5.946 1.846 1.00 40.50 H new ATOM 0 HA ALA A 735 22.382 -5.706 4.631 1.00 21.53 H new ATOM 0 HB1 ALA A 735 20.313 -6.911 4.019 1.00 50.25 H new ATOM 0 HB2 ALA A 735 20.642 -5.558 2.910 1.00 50.25 H new ATOM 0 HB3 ALA A 735 20.983 -7.229 2.401 1.00 50.25 H new ATOM 355 N ARG A 736 23.102 -8.681 3.457 1.00 15.33 N ATOM 356 CA ARG A 736 23.566 -10.001 3.840 1.00 60.14 C ATOM 357 C ARG A 736 25.013 -9.943 4.380 1.00 41.51 C ATOM 358 O ARG A 736 25.467 -10.848 5.076 1.00 34.54 O ATOM 359 CB ARG A 736 23.471 -10.947 2.643 1.00 54.31 C ATOM 360 CG ARG A 736 23.868 -12.362 2.931 1.00 71.30 C ATOM 361 CD ARG A 736 23.722 -13.225 1.706 1.00 73.24 C ATOM 362 NE ARG A 736 22.316 -13.402 1.320 1.00 22.24 N ATOM 363 CZ ARG A 736 21.880 -14.298 0.416 1.00 3.11 C ATOM 364 NH1 ARG A 736 22.739 -15.060 -0.242 1.00 33.33 N ATOM 365 NH2 ARG A 736 20.596 -14.400 0.168 1.00 33.30 N ATOM 0 H ARG A 736 22.977 -8.554 2.453 1.00 15.33 H new ATOM 0 HA ARG A 736 22.930 -10.378 4.641 1.00 60.14 H new ATOM 0 HB2 ARG A 736 22.446 -10.940 2.272 1.00 54.31 H new ATOM 0 HB3 ARG A 736 24.103 -10.562 1.842 1.00 54.31 H new ATOM 0 HG2 ARG A 736 24.901 -12.390 3.278 1.00 71.30 H new ATOM 0 HG3 ARG A 736 23.250 -12.760 3.736 1.00 71.30 H new ATOM 0 HD2 ARG A 736 24.271 -12.775 0.879 1.00 73.24 H new ATOM 0 HD3 ARG A 736 24.171 -14.200 1.894 1.00 73.24 H new ATOM 0 HE ARG A 736 21.622 -12.804 1.768 1.00 22.24 H new ATOM 0 HH11 ARG A 736 23.740 -14.970 -0.065 1.00 33.33 H new ATOM 0 HH12 ARG A 736 22.400 -15.737 -0.926 1.00 33.33 H new ATOM 0 HH21 ARG A 736 19.932 -13.801 0.660 1.00 33.30 H new ATOM 0 HH22 ARG A 736 20.261 -15.078 -0.517 1.00 33.30 H new ATOM 379 N ALA A 737 25.707 -8.856 4.072 1.00 71.24 N ATOM 380 CA ALA A 737 27.096 -8.658 4.508 1.00 15.44 C ATOM 381 C ALA A 737 27.183 -8.422 6.014 1.00 0.41 C ATOM 382 O ALA A 737 28.274 -8.471 6.605 1.00 41.11 O ATOM 383 CB ALA A 737 27.700 -7.488 3.776 1.00 61.52 C ATOM 0 H ALA A 737 25.332 -8.087 3.517 1.00 71.24 H new ATOM 0 HA ALA A 737 27.652 -9.566 4.276 1.00 15.44 H new ATOM 0 HB1 ALA A 737 28.730 -7.346 4.104 1.00 61.52 H new ATOM 0 HB2 ALA A 737 27.684 -7.682 2.704 1.00 61.52 H new ATOM 0 HB3 ALA A 737 27.124 -6.588 3.991 1.00 61.52 H new ATOM 389 N LYS A 738 26.065 -8.168 6.621 1.00 20.20 N ATOM 390 CA LYS A 738 26.026 -7.865 8.016 1.00 64.33 C ATOM 391 C LYS A 738 24.884 -8.599 8.700 1.00 32.35 C ATOM 392 O LYS A 738 24.973 -8.949 9.877 1.00 63.20 O ATOM 393 CB LYS A 738 25.909 -6.343 8.219 1.00 73.21 C ATOM 394 CG LYS A 738 26.153 -5.874 9.661 1.00 32.42 C ATOM 395 CD LYS A 738 27.548 -6.252 10.148 1.00 72.30 C ATOM 396 CE LYS A 738 28.636 -5.629 9.281 1.00 62.14 C ATOM 397 NZ LYS A 738 28.615 -4.154 9.331 1.00 12.33 N ATOM 0 H LYS A 738 25.154 -8.165 6.162 1.00 20.20 H new ATOM 0 HA LYS A 738 26.954 -8.205 8.475 1.00 64.33 H new ATOM 0 HB2 LYS A 738 26.623 -5.845 7.562 1.00 73.21 H new ATOM 0 HB3 LYS A 738 24.914 -6.023 7.909 1.00 73.21 H new ATOM 0 HG2 LYS A 738 26.028 -4.793 9.718 1.00 32.42 H new ATOM 0 HG3 LYS A 738 25.405 -6.317 10.319 1.00 32.42 H new ATOM 0 HD2 LYS A 738 27.674 -5.926 11.180 1.00 72.30 H new ATOM 0 HD3 LYS A 738 27.654 -7.337 10.142 1.00 72.30 H new ATOM 0 HE2 LYS A 738 29.611 -5.988 9.611 1.00 62.14 H new ATOM 0 HE3 LYS A 738 28.508 -5.957 8.250 1.00 62.14 H new ATOM 0 HZ1 LYS A 738 29.450 -3.778 8.839 1.00 12.33 H new ATOM 0 HZ2 LYS A 738 27.753 -3.803 8.867 1.00 12.33 H new ATOM 0 HZ3 LYS A 738 28.627 -3.840 10.322 1.00 12.33 H new ATOM 411 N TRP A 739 23.816 -8.849 7.950 1.00 71.13 N ATOM 412 CA TRP A 739 22.621 -9.455 8.490 1.00 63.10 C ATOM 413 C TRP A 739 22.132 -10.576 7.579 1.00 53.22 C ATOM 414 O TRP A 739 20.930 -10.665 7.261 1.00 10.11 O ATOM 415 CB TRP A 739 21.531 -8.394 8.641 1.00 61.21 C ATOM 416 CG TRP A 739 21.986 -7.186 9.378 1.00 12.02 C ATOM 417 CD1 TRP A 739 22.770 -6.193 8.891 1.00 52.34 C ATOM 418 CD2 TRP A 739 21.687 -6.835 10.730 1.00 4.12 C ATOM 419 NE1 TRP A 739 23.014 -5.272 9.846 1.00 63.22 N ATOM 420 CE2 TRP A 739 22.347 -5.626 10.992 1.00 74.40 C ATOM 421 CE3 TRP A 739 20.930 -7.426 11.746 1.00 2.03 C ATOM 422 CZ2 TRP A 739 22.279 -4.990 12.228 1.00 62.24 C ATOM 423 CZ3 TRP A 739 20.860 -6.794 12.972 1.00 11.31 C ATOM 424 CH2 TRP A 739 21.530 -5.588 13.204 1.00 2.41 C ATOM 0 H TRP A 739 23.762 -8.635 6.954 1.00 71.13 H new ATOM 0 HA TRP A 739 22.852 -9.879 9.467 1.00 63.10 H new ATOM 0 HB2 TRP A 739 21.182 -8.098 7.652 1.00 61.21 H new ATOM 0 HB3 TRP A 739 20.679 -8.830 9.162 1.00 61.21 H new ATOM 0 HD1 TRP A 739 23.147 -6.146 7.880 1.00 52.34 H new ATOM 0 HE1 TRP A 739 23.600 -4.445 9.734 1.00 63.22 H new ATOM 0 HE3 TRP A 739 20.411 -8.358 11.576 1.00 2.03 H new ATOM 0 HZ2 TRP A 739 22.798 -4.060 12.410 1.00 62.24 H new ATOM 0 HZ3 TRP A 739 20.278 -7.239 13.766 1.00 11.31 H new ATOM 0 HH2 TRP A 739 21.454 -5.119 14.174 1.00 2.41 H new ATOM 435 N ASP A 740 23.057 -11.415 7.158 1.00 41.24 N ATOM 436 CA ASP A 740 22.741 -12.648 6.362 1.00 3.31 C ATOM 437 C ASP A 740 21.636 -13.461 7.021 1.00 43.02 C ATOM 438 O ASP A 740 20.709 -13.935 6.352 1.00 32.54 O ATOM 439 CB ASP A 740 24.012 -13.523 6.214 1.00 41.00 C ATOM 440 CG ASP A 740 23.723 -14.948 5.725 1.00 51.42 C ATOM 441 OD1 ASP A 740 23.264 -15.112 4.580 1.00 24.15 O ATOM 442 OD2 ASP A 740 23.988 -15.915 6.498 1.00 60.14 O ATOM 0 H ASP A 740 24.052 -11.288 7.342 1.00 41.24 H new ATOM 0 HA ASP A 740 22.396 -12.333 5.377 1.00 3.31 H new ATOM 0 HB2 ASP A 740 24.696 -13.040 5.516 1.00 41.00 H new ATOM 0 HB3 ASP A 740 24.522 -13.574 7.176 1.00 41.00 H new ATOM 447 N THR A 741 21.721 -13.596 8.316 1.00 51.43 N ATOM 448 CA THR A 741 20.765 -14.382 9.062 1.00 70.42 C ATOM 449 C THR A 741 19.458 -13.581 9.333 1.00 71.31 C ATOM 450 O THR A 741 18.435 -14.149 9.722 1.00 62.23 O ATOM 451 CB THR A 741 21.376 -14.889 10.417 1.00 13.20 C ATOM 452 OG1 THR A 741 20.487 -15.833 11.040 1.00 23.43 O ATOM 453 CG2 THR A 741 21.631 -13.725 11.376 1.00 72.14 C ATOM 0 H THR A 741 22.450 -13.168 8.886 1.00 51.43 H new ATOM 0 HA THR A 741 20.517 -15.248 8.449 1.00 70.42 H new ATOM 0 HB THR A 741 22.327 -15.373 10.194 1.00 13.20 H new ATOM 0 HG1 THR A 741 19.575 -15.690 10.710 1.00 23.43 H new ATOM 0 HG21 THR A 741 22.054 -14.106 12.306 1.00 72.14 H new ATOM 0 HG22 THR A 741 22.330 -13.024 10.920 1.00 72.14 H new ATOM 0 HG23 THR A 741 20.691 -13.215 11.587 1.00 72.14 H new ATOM 461 N ALA A 742 19.505 -12.276 9.112 1.00 70.35 N ATOM 462 CA ALA A 742 18.381 -11.414 9.463 1.00 31.24 C ATOM 463 C ALA A 742 17.470 -11.128 8.276 1.00 75.14 C ATOM 464 O ALA A 742 16.247 -11.196 8.398 1.00 41.54 O ATOM 465 CB ALA A 742 18.865 -10.124 10.095 1.00 4.51 C ATOM 0 H ALA A 742 20.300 -11.792 8.695 1.00 70.35 H new ATOM 0 HA ALA A 742 17.784 -11.958 10.195 1.00 31.24 H new ATOM 0 HB1 ALA A 742 18.009 -9.499 10.348 1.00 4.51 H new ATOM 0 HB2 ALA A 742 19.428 -10.351 11.000 1.00 4.51 H new ATOM 0 HB3 ALA A 742 19.507 -9.593 9.392 1.00 4.51 H new ATOM 471 N ASN A 743 18.053 -10.808 7.137 1.00 33.42 N ATOM 472 CA ASN A 743 17.245 -10.453 5.956 1.00 10.53 C ATOM 473 C ASN A 743 16.804 -11.671 5.220 1.00 13.02 C ATOM 474 O ASN A 743 15.688 -11.733 4.711 1.00 62.50 O ATOM 475 CB ASN A 743 18.023 -9.560 4.991 1.00 24.12 C ATOM 476 CG ASN A 743 18.465 -8.274 5.596 1.00 44.43 C ATOM 477 OD1 ASN A 743 19.657 -8.254 6.077 1.00 25.10 O flip ATOM 478 ND2 ASN A 743 17.728 -7.289 5.614 1.00 63.21 N flip ATOM 0 H ASN A 743 19.062 -10.782 6.991 1.00 33.42 H new ATOM 0 HA ASN A 743 16.375 -9.911 6.327 1.00 10.53 H new ATOM 0 HB2 ASN A 743 18.897 -10.103 4.632 1.00 24.12 H new ATOM 0 HB3 ASN A 743 17.400 -9.348 4.122 1.00 24.12 H new ATOM 0 HD21 ASN A 743 16.788 -7.348 5.221 1.00 63.21 H new ATOM 0 HD22 ASN A 743 18.057 -6.414 6.022 1.00 63.21 H new ATOM 485 N ASN A 744 17.659 -12.645 5.170 1.00 13.43 N ATOM 486 CA ASN A 744 17.404 -13.814 4.386 1.00 11.31 C ATOM 487 C ASN A 744 16.970 -14.953 5.256 1.00 10.54 C ATOM 488 O ASN A 744 17.582 -15.219 6.292 1.00 41.23 O ATOM 489 CB ASN A 744 18.642 -14.208 3.589 1.00 13.52 C ATOM 490 CG ASN A 744 19.181 -13.081 2.744 1.00 42.04 C ATOM 491 OD1 ASN A 744 18.635 -12.912 1.576 1.00 52.43 O flip ATOM 492 ND2 ASN A 744 20.092 -12.361 3.158 1.00 73.25 N flip ATOM 0 H ASN A 744 18.549 -12.653 5.668 1.00 13.43 H new ATOM 0 HA ASN A 744 16.599 -13.582 3.689 1.00 11.31 H new ATOM 0 HB2 ASN A 744 19.419 -14.543 4.276 1.00 13.52 H new ATOM 0 HB3 ASN A 744 18.399 -15.054 2.945 1.00 13.52 H new ATOM 0 HD21 ASN A 744 20.494 -12.527 4.081 1.00 73.25 H new ATOM 0 HD22 ASN A 744 20.444 -11.600 2.578 1.00 73.25 H new ATOM 499 N PRO A 745 15.894 -15.641 4.868 1.00 63.42 N ATOM 500 CA PRO A 745 15.380 -16.780 5.617 1.00 11.44 C ATOM 501 C PRO A 745 16.310 -17.999 5.522 1.00 72.21 C ATOM 502 O PRO A 745 16.543 -18.700 6.518 1.00 41.01 O ATOM 503 CB PRO A 745 14.031 -17.078 4.952 1.00 51.41 C ATOM 504 CG PRO A 745 14.130 -16.496 3.580 1.00 34.24 C ATOM 505 CD PRO A 745 15.079 -15.341 3.669 1.00 44.41 C ATOM 0 HA PRO A 745 15.297 -16.563 6.682 1.00 11.44 H new ATOM 0 HB2 PRO A 745 13.841 -18.151 4.911 1.00 51.41 H new ATOM 0 HB3 PRO A 745 13.210 -16.630 5.511 1.00 51.41 H new ATOM 0 HG2 PRO A 745 14.491 -17.240 2.870 1.00 34.24 H new ATOM 0 HG3 PRO A 745 13.152 -16.167 3.228 1.00 34.24 H new ATOM 0 HD2 PRO A 745 15.698 -15.262 2.775 1.00 44.41 H new ATOM 0 HD3 PRO A 745 14.548 -14.395 3.773 1.00 44.41 H new ATOM 513 N LEU A 746 16.840 -18.242 4.342 1.00 24.21 N ATOM 514 CA LEU A 746 17.718 -19.368 4.129 1.00 23.02 C ATOM 515 C LEU A 746 18.680 -19.119 2.998 1.00 30.43 C ATOM 516 O LEU A 746 19.888 -19.343 3.134 1.00 63.10 O ATOM 517 CB LEU A 746 16.898 -20.649 3.860 1.00 14.41 C ATOM 518 CG LEU A 746 17.700 -21.915 3.542 1.00 61.54 C ATOM 519 CD1 LEU A 746 18.620 -22.275 4.697 1.00 54.33 C ATOM 520 CD2 LEU A 746 16.768 -23.069 3.222 1.00 74.43 C ATOM 0 H LEU A 746 16.676 -17.671 3.513 1.00 24.21 H new ATOM 0 HA LEU A 746 18.303 -19.504 5.039 1.00 23.02 H new ATOM 0 HB2 LEU A 746 16.278 -20.848 4.734 1.00 14.41 H new ATOM 0 HB3 LEU A 746 16.222 -20.454 3.027 1.00 14.41 H new ATOM 0 HG LEU A 746 18.317 -21.717 2.665 1.00 61.54 H new ATOM 0 HD11 LEU A 746 19.179 -23.177 4.449 1.00 54.33 H new ATOM 0 HD12 LEU A 746 19.315 -21.455 4.878 1.00 54.33 H new ATOM 0 HD13 LEU A 746 18.026 -22.452 5.594 1.00 54.33 H new ATOM 0 HD21 LEU A 746 17.355 -23.960 2.999 1.00 74.43 H new ATOM 0 HD22 LEU A 746 16.124 -23.265 4.079 1.00 74.43 H new ATOM 0 HD23 LEU A 746 16.155 -22.813 2.358 1.00 74.43 H new ATOM 556 N LYS A 748 17.230 -17.825 -0.689 1.00 14.03 N ATOM 557 CA LYS A 748 16.594 -17.033 -1.670 1.00 55.33 C ATOM 558 C LYS A 748 15.144 -16.816 -1.304 1.00 61.01 C ATOM 559 O LYS A 748 14.637 -17.414 -0.357 1.00 43.22 O ATOM 560 CB LYS A 748 16.661 -17.758 -3.014 1.00 60.11 C ATOM 561 CG LYS A 748 18.046 -17.913 -3.613 1.00 60.12 C ATOM 562 CD LYS A 748 18.781 -16.608 -3.675 1.00 55.44 C ATOM 563 CE LYS A 748 20.086 -16.758 -4.428 1.00 14.30 C ATOM 564 NZ LYS A 748 20.743 -15.465 -4.670 1.00 65.23 N ATOM 0 HA LYS A 748 17.098 -16.068 -1.732 1.00 55.33 H new ATOM 0 HB2 LYS A 748 16.225 -18.750 -2.892 1.00 60.11 H new ATOM 0 HB3 LYS A 748 16.036 -17.220 -3.727 1.00 60.11 H new ATOM 0 HG2 LYS A 748 18.620 -18.624 -3.019 1.00 60.12 H new ATOM 0 HG3 LYS A 748 17.962 -18.330 -4.617 1.00 60.12 H new ATOM 0 HD2 LYS A 748 18.159 -15.858 -4.164 1.00 55.44 H new ATOM 0 HD3 LYS A 748 18.979 -16.249 -2.665 1.00 55.44 H new ATOM 0 HE2 LYS A 748 20.757 -17.404 -3.862 1.00 14.30 H new ATOM 0 HE3 LYS A 748 19.898 -17.251 -5.382 1.00 14.30 H new ATOM 0 HZ1 LYS A 748 21.632 -15.619 -5.188 1.00 65.23 H new ATOM 0 HZ2 LYS A 748 20.115 -14.856 -5.233 1.00 65.23 H new ATOM 0 HZ3 LYS A 748 20.948 -15.004 -3.761 1.00 65.23 H new ATOM 578 N GLU A 749 14.489 -15.994 -2.048 1.00 24.41 N ATOM 579 CA GLU A 749 13.079 -15.756 -1.858 1.00 33.21 C ATOM 580 C GLU A 749 12.300 -16.966 -2.322 1.00 1.33 C ATOM 581 O GLU A 749 11.356 -17.417 -1.659 1.00 12.42 O ATOM 582 CB GLU A 749 12.645 -14.524 -2.645 1.00 22.04 C ATOM 583 CG GLU A 749 11.161 -14.205 -2.544 1.00 0.52 C ATOM 584 CD GLU A 749 10.741 -13.825 -1.154 1.00 64.44 C ATOM 585 OE1 GLU A 749 10.880 -12.642 -0.794 1.00 44.35 O ATOM 586 OE2 GLU A 749 10.260 -14.700 -0.411 1.00 71.50 O ATOM 0 H GLU A 749 14.907 -15.461 -2.811 1.00 24.41 H new ATOM 0 HA GLU A 749 12.882 -15.582 -0.800 1.00 33.21 H new ATOM 0 HB2 GLU A 749 13.214 -13.664 -2.293 1.00 22.04 H new ATOM 0 HB3 GLU A 749 12.903 -14.669 -3.694 1.00 22.04 H new ATOM 0 HG2 GLU A 749 10.922 -13.389 -3.227 1.00 0.52 H new ATOM 0 HG3 GLU A 749 10.585 -15.071 -2.869 1.00 0.52 H new ATOM 593 N ALA A 750 12.722 -17.513 -3.445 1.00 73.23 N ATOM 594 CA ALA A 750 12.088 -18.669 -4.026 1.00 5.01 C ATOM 595 C ALA A 750 12.240 -19.890 -3.138 1.00 23.24 C ATOM 596 O ALA A 750 11.509 -20.851 -3.282 1.00 14.51 O ATOM 597 CB ALA A 750 12.652 -18.943 -5.398 1.00 74.20 C ATOM 0 H ALA A 750 13.518 -17.163 -3.979 1.00 73.23 H new ATOM 0 HA ALA A 750 11.023 -18.455 -4.118 1.00 5.01 H new ATOM 0 HB1 ALA A 750 12.163 -19.819 -5.824 1.00 74.20 H new ATOM 0 HB2 ALA A 750 12.477 -18.081 -6.042 1.00 74.20 H new ATOM 0 HB3 ALA A 750 13.724 -19.127 -5.321 1.00 74.20 H new ATOM 603 N THR A 751 13.189 -19.831 -2.210 1.00 71.25 N ATOM 604 CA THR A 751 13.409 -20.921 -1.273 1.00 4.24 C ATOM 605 C THR A 751 12.253 -20.982 -0.249 1.00 63.34 C ATOM 606 O THR A 751 12.005 -22.016 0.381 1.00 54.34 O ATOM 607 CB THR A 751 14.740 -20.735 -0.522 1.00 65.31 C ATOM 608 OG1 THR A 751 15.745 -20.279 -1.438 1.00 63.55 O ATOM 609 CG2 THR A 751 15.194 -22.045 0.094 1.00 5.11 C ATOM 0 H THR A 751 13.818 -19.037 -2.088 1.00 71.25 H new ATOM 0 HA THR A 751 13.448 -21.851 -1.840 1.00 4.24 H new ATOM 0 HB THR A 751 14.591 -20.002 0.271 1.00 65.31 H new ATOM 0 HG1 THR A 751 16.228 -19.523 -1.044 1.00 63.55 H new ATOM 0 HG21 THR A 751 16.136 -21.892 0.620 1.00 5.11 H new ATOM 0 HG22 THR A 751 14.439 -22.398 0.797 1.00 5.11 H new ATOM 0 HG23 THR A 751 15.333 -22.788 -0.692 1.00 5.11 H new ATOM 617 N SER A 752 11.564 -19.869 -0.094 1.00 61.02 N ATOM 618 CA SER A 752 10.423 -19.804 0.769 1.00 3.40 C ATOM 619 C SER A 752 9.151 -20.052 -0.028 1.00 63.15 C ATOM 620 O SER A 752 8.136 -20.493 0.513 1.00 51.01 O ATOM 621 CB SER A 752 10.362 -18.449 1.454 1.00 45.12 C ATOM 622 OG SER A 752 11.597 -18.157 2.112 1.00 73.43 O ATOM 0 H SER A 752 11.786 -18.992 -0.565 1.00 61.02 H new ATOM 0 HA SER A 752 10.513 -20.576 1.533 1.00 3.40 H new ATOM 0 HB2 SER A 752 10.144 -17.674 0.719 1.00 45.12 H new ATOM 0 HB3 SER A 752 9.548 -18.439 2.178 1.00 45.12 H new ATOM 0 HG SER A 752 11.450 -17.466 2.791 1.00 73.43 H new ATOM 628 N THR A 753 9.218 -19.770 -1.316 1.00 52.42 N ATOM 629 CA THR A 753 8.110 -19.988 -2.199 1.00 14.20 C ATOM 630 C THR A 753 7.964 -21.491 -2.494 1.00 54.51 C ATOM 631 O THR A 753 6.891 -22.077 -2.305 1.00 41.34 O ATOM 632 CB THR A 753 8.314 -19.228 -3.524 1.00 54.14 C ATOM 633 OG1 THR A 753 8.778 -17.889 -3.245 1.00 24.43 O ATOM 634 CG2 THR A 753 7.012 -19.152 -4.304 1.00 60.14 C ATOM 0 H THR A 753 10.046 -19.384 -1.770 1.00 52.42 H new ATOM 0 HA THR A 753 7.207 -19.618 -1.714 1.00 14.20 H new ATOM 0 HB THR A 753 9.053 -19.763 -4.121 1.00 54.14 H new ATOM 0 HG1 THR A 753 8.909 -17.406 -4.088 1.00 24.43 H new ATOM 0 HG21 THR A 753 7.177 -18.612 -5.236 1.00 60.14 H new ATOM 0 HG22 THR A 753 6.662 -20.160 -4.526 1.00 60.14 H new ATOM 0 HG23 THR A 753 6.262 -18.630 -3.710 1.00 60.14 H new ATOM 642 N PHE A 754 9.052 -22.098 -2.940 1.00 33.33 N ATOM 643 CA PHE A 754 9.099 -23.522 -3.242 1.00 72.03 C ATOM 644 C PHE A 754 10.383 -24.113 -2.678 1.00 42.51 C ATOM 645 O PHE A 754 11.093 -23.450 -1.943 1.00 71.35 O ATOM 646 CB PHE A 754 9.046 -23.762 -4.766 1.00 73.43 C ATOM 647 CG PHE A 754 7.799 -23.259 -5.439 1.00 12.11 C ATOM 648 CD1 PHE A 754 6.561 -23.798 -5.133 1.00 53.05 C ATOM 649 CD2 PHE A 754 7.870 -22.252 -6.383 1.00 53.34 C ATOM 650 CE1 PHE A 754 5.416 -23.340 -5.755 1.00 74.13 C ATOM 651 CE2 PHE A 754 6.731 -21.789 -7.011 1.00 32.10 C ATOM 652 CZ PHE A 754 5.503 -22.332 -6.696 1.00 21.41 C ATOM 0 H PHE A 754 9.935 -21.614 -3.104 1.00 33.33 H new ATOM 0 HA PHE A 754 8.234 -24.005 -2.787 1.00 72.03 H new ATOM 0 HB2 PHE A 754 9.910 -23.281 -5.226 1.00 73.43 H new ATOM 0 HB3 PHE A 754 9.138 -24.832 -4.955 1.00 73.43 H new ATOM 0 HD1 PHE A 754 6.490 -24.587 -4.399 1.00 53.05 H new ATOM 0 HD2 PHE A 754 8.829 -21.822 -6.633 1.00 53.34 H new ATOM 0 HE1 PHE A 754 4.456 -23.768 -5.507 1.00 74.13 H new ATOM 0 HE2 PHE A 754 6.802 -21.003 -7.748 1.00 32.10 H new ATOM 0 HZ PHE A 754 4.610 -21.970 -7.184 1.00 21.41 H new ATOM 662 N THR A 755 10.675 -25.343 -3.024 1.00 31.35 N ATOM 663 CA THR A 755 11.883 -25.975 -2.546 1.00 61.33 C ATOM 664 C THR A 755 12.873 -26.211 -3.709 1.00 2.23 C ATOM 665 O THR A 755 14.097 -26.286 -3.504 1.00 43.10 O ATOM 666 CB THR A 755 11.583 -27.320 -1.772 1.00 61.21 C ATOM 667 OG1 THR A 755 12.775 -27.805 -1.132 1.00 1.43 O ATOM 668 CG2 THR A 755 11.041 -28.397 -2.711 1.00 65.10 C ATOM 0 H THR A 755 10.097 -25.925 -3.631 1.00 31.35 H new ATOM 0 HA THR A 755 12.346 -25.294 -1.832 1.00 61.33 H new ATOM 0 HB THR A 755 10.825 -27.102 -1.020 1.00 61.21 H new ATOM 0 HG1 THR A 755 12.575 -28.637 -0.655 1.00 1.43 H new ATOM 0 HG21 THR A 755 10.846 -29.308 -2.145 1.00 65.10 H new ATOM 0 HG22 THR A 755 10.115 -28.048 -3.168 1.00 65.10 H new ATOM 0 HG23 THR A 755 11.775 -28.604 -3.490 1.00 65.10 H new ATOM 676 N ASN A 756 12.340 -26.308 -4.918 1.00 44.11 N ATOM 677 CA ASN A 756 13.156 -26.478 -6.104 1.00 13.03 C ATOM 678 C ASN A 756 12.407 -26.017 -7.334 1.00 23.43 C ATOM 679 O ASN A 756 11.393 -26.605 -7.711 1.00 41.14 O ATOM 680 CB ASN A 756 13.597 -27.941 -6.266 1.00 61.10 C ATOM 681 CG ASN A 756 14.508 -28.145 -7.470 1.00 11.10 C ATOM 682 OD1 ASN A 756 14.043 -28.442 -8.582 1.00 64.43 O ATOM 683 ND2 ASN A 756 15.789 -27.994 -7.263 1.00 73.45 N ATOM 0 H ASN A 756 11.337 -26.271 -5.101 1.00 44.11 H new ATOM 0 HA ASN A 756 14.049 -25.864 -5.987 1.00 13.03 H new ATOM 0 HB2 ASN A 756 14.116 -28.263 -5.363 1.00 61.10 H new ATOM 0 HB3 ASN A 756 12.715 -28.574 -6.370 1.00 61.10 H new ATOM 0 HD21 ASN A 756 16.448 -28.121 -8.031 1.00 73.45 H new ATOM 0 HD22 ASN A 756 16.130 -27.749 -6.333 1.00 73.45 H new ATOM 690 N ILE A 757 12.887 -24.965 -7.939 1.00 11.35 N ATOM 691 CA ILE A 757 12.270 -24.416 -9.127 1.00 54.10 C ATOM 692 C ILE A 757 13.284 -24.402 -10.248 1.00 23.11 C ATOM 693 O ILE A 757 14.489 -24.297 -9.998 1.00 50.44 O ATOM 694 CB ILE A 757 11.764 -22.930 -8.908 1.00 72.34 C ATOM 695 CG1 ILE A 757 11.258 -22.695 -7.469 1.00 10.45 C ATOM 696 CG2 ILE A 757 10.672 -22.575 -9.917 1.00 62.44 C ATOM 697 CD1 ILE A 757 12.353 -22.367 -6.465 1.00 22.24 C ATOM 0 H ILE A 757 13.717 -24.460 -7.627 1.00 11.35 H new ATOM 0 HA ILE A 757 11.411 -25.042 -9.367 1.00 54.10 H new ATOM 0 HB ILE A 757 12.621 -22.275 -9.067 1.00 72.34 H new ATOM 0 HG12 ILE A 757 10.535 -21.879 -7.479 1.00 10.45 H new ATOM 0 HG13 ILE A 757 10.728 -23.586 -7.133 1.00 10.45 H new ATOM 0 HG21 ILE A 757 10.340 -21.551 -9.748 1.00 62.44 H new ATOM 0 HG22 ILE A 757 11.068 -22.666 -10.929 1.00 62.44 H new ATOM 0 HG23 ILE A 757 9.829 -23.255 -9.795 1.00 62.44 H new ATOM 0 HD11 ILE A 757 11.911 -22.217 -5.480 1.00 22.24 H new ATOM 0 HD12 ILE A 757 13.065 -23.191 -6.421 1.00 22.24 H new ATOM 0 HD13 ILE A 757 12.869 -21.458 -6.773 1.00 22.24 H new ATOM 709 N THR A 758 12.820 -24.495 -11.458 1.00 12.11 N ATOM 710 CA THR A 758 13.693 -24.478 -12.597 1.00 51.55 C ATOM 711 C THR A 758 14.216 -23.045 -12.871 1.00 1.33 C ATOM 712 O THR A 758 15.268 -22.863 -13.477 1.00 74.22 O ATOM 713 CB THR A 758 12.983 -25.057 -13.856 1.00 45.45 C ATOM 714 OG1 THR A 758 13.951 -25.440 -14.848 1.00 13.12 O ATOM 715 CG2 THR A 758 12.008 -24.047 -14.466 1.00 62.53 C ATOM 0 H THR A 758 11.830 -24.585 -11.685 1.00 12.11 H new ATOM 0 HA THR A 758 14.548 -25.115 -12.371 1.00 51.55 H new ATOM 0 HB THR A 758 12.419 -25.933 -13.536 1.00 45.45 H new ATOM 0 HG1 THR A 758 13.489 -25.803 -15.632 1.00 13.12 H new ATOM 0 HG21 THR A 758 11.531 -24.485 -15.343 1.00 62.53 H new ATOM 0 HG22 THR A 758 11.247 -23.787 -13.731 1.00 62.53 H new ATOM 0 HG23 THR A 758 12.551 -23.149 -14.760 1.00 62.53 H new ATOM 723 N TYR A 759 13.469 -22.042 -12.397 1.00 55.44 N ATOM 724 CA TYR A 759 13.878 -20.661 -12.536 1.00 24.40 C ATOM 725 C TYR A 759 14.651 -20.234 -11.318 1.00 51.01 C ATOM 726 O TYR A 759 15.617 -19.493 -11.415 1.00 13.15 O ATOM 727 CB TYR A 759 12.658 -19.753 -12.709 1.00 52.02 C ATOM 728 CG TYR A 759 11.815 -20.071 -13.915 1.00 2.41 C ATOM 729 CD1 TYR A 759 12.282 -19.825 -15.197 1.00 54.41 C ATOM 730 CD2 TYR A 759 10.546 -20.615 -13.775 1.00 11.02 C ATOM 731 CE1 TYR A 759 11.514 -20.112 -16.302 1.00 15.24 C ATOM 732 CE2 TYR A 759 9.770 -20.905 -14.874 1.00 71.21 C ATOM 733 CZ TYR A 759 10.257 -20.653 -16.135 1.00 15.30 C ATOM 734 OH TYR A 759 9.481 -20.939 -17.238 1.00 43.34 O ATOM 0 H TYR A 759 12.579 -22.172 -11.915 1.00 55.44 H new ATOM 0 HA TYR A 759 14.509 -20.575 -13.420 1.00 24.40 H new ATOM 0 HB2 TYR A 759 12.036 -19.825 -11.817 1.00 52.02 H new ATOM 0 HB3 TYR A 759 12.996 -18.719 -12.779 1.00 52.02 H new ATOM 0 HD1 TYR A 759 13.266 -19.401 -15.331 1.00 54.41 H new ATOM 0 HD2 TYR A 759 10.161 -20.814 -12.786 1.00 11.02 H new ATOM 0 HE1 TYR A 759 11.893 -19.915 -17.294 1.00 15.24 H new ATOM 0 HE2 TYR A 759 8.784 -21.328 -14.747 1.00 71.21 H new ATOM 0 HH TYR A 759 8.625 -21.316 -16.947 1.00 43.34 H new ATOM 744 N ARG A 760 14.211 -20.738 -10.154 1.00 31.44 N ATOM 745 CA ARG A 760 14.792 -20.415 -8.869 1.00 4.11 C ATOM 746 C ARG A 760 14.929 -18.895 -8.663 1.00 65.24 C ATOM 747 O ARG A 760 16.024 -18.323 -8.754 1.00 53.35 O ATOM 748 CB ARG A 760 16.101 -21.129 -8.686 1.00 30.12 C ATOM 749 CG ARG A 760 16.624 -21.096 -7.294 1.00 43.44 C ATOM 750 CD ARG A 760 17.757 -22.054 -7.145 1.00 52.33 C ATOM 751 NE ARG A 760 18.867 -21.736 -8.061 1.00 13.05 N ATOM 752 CZ ARG A 760 19.901 -20.955 -7.751 1.00 52.33 C ATOM 753 NH1 ARG A 760 19.985 -20.419 -6.544 1.00 72.00 N ATOM 754 NH2 ARG A 760 20.852 -20.714 -8.654 1.00 20.35 N ATOM 0 H ARG A 760 13.429 -21.390 -10.093 1.00 31.44 H new ATOM 0 HA ARG A 760 14.109 -20.768 -8.096 1.00 4.11 H new ATOM 0 HB2 ARG A 760 15.981 -22.168 -8.993 1.00 30.12 H new ATOM 0 HB3 ARG A 760 16.841 -20.684 -9.351 1.00 30.12 H new ATOM 0 HG2 ARG A 760 16.956 -20.088 -7.047 1.00 43.44 H new ATOM 0 HG3 ARG A 760 15.829 -21.350 -6.593 1.00 43.44 H new ATOM 0 HD2 ARG A 760 18.117 -22.034 -6.116 1.00 52.33 H new ATOM 0 HD3 ARG A 760 17.404 -23.067 -7.339 1.00 52.33 H new ATOM 0 HE ARG A 760 18.842 -22.142 -8.997 1.00 13.05 H new ATOM 0 HH11 ARG A 760 19.259 -20.604 -5.852 1.00 72.00 H new ATOM 0 HH12 ARG A 760 20.776 -19.821 -6.305 1.00 72.00 H new ATOM 0 HH21 ARG A 760 20.789 -21.128 -9.584 1.00 20.35 H new ATOM 0 HH22 ARG A 760 21.643 -20.116 -8.415 1.00 20.35 H new ATOM 768 N GLY A 761 13.815 -18.268 -8.415 1.00 40.42 N ATOM 769 CA GLY A 761 13.779 -16.848 -8.247 1.00 63.12 C ATOM 770 C GLY A 761 12.704 -16.233 -9.105 1.00 24.31 C ATOM 771 O GLY A 761 11.989 -15.332 -8.661 1.00 42.41 O ATOM 0 H GLY A 761 12.909 -18.728 -8.324 1.00 40.42 H new ATOM 0 HA2 GLY A 761 13.597 -16.606 -7.200 1.00 63.12 H new ATOM 0 HA3 GLY A 761 14.747 -16.422 -8.509 1.00 63.12 H new ATOM 775 N THR A 762 12.592 -16.755 -10.365 1.00 52.40 N ATOM 776 CA THR A 762 11.552 -16.360 -11.355 1.00 71.12 C ATOM 777 C THR A 762 11.257 -14.821 -11.362 1.00 45.21 C ATOM 778 O THR A 762 10.289 -14.374 -10.702 1.00 31.52 O ATOM 779 CB THR A 762 10.216 -17.249 -11.241 1.00 42.13 C ATOM 780 OG1 THR A 762 9.247 -16.858 -12.232 1.00 12.04 O ATOM 781 CG2 THR A 762 9.590 -17.179 -9.847 1.00 13.03 C ATOM 782 OXT THR A 762 12.022 -14.078 -12.027 1.00 38.87 O ATOM 0 H THR A 762 13.229 -17.468 -10.720 1.00 52.40 H new ATOM 0 HA THR A 762 11.980 -16.580 -12.333 1.00 71.12 H new ATOM 0 HB THR A 762 10.515 -18.282 -11.422 1.00 42.13 H new ATOM 0 HG1 THR A 762 8.445 -17.414 -12.143 1.00 12.04 H new ATOM 0 HG21 THR A 762 8.691 -17.795 -9.820 1.00 13.03 H new ATOM 0 HG22 THR A 762 10.303 -17.546 -9.109 1.00 13.03 H new ATOM 0 HG23 THR A 762 9.329 -16.146 -9.617 1.00 13.03 H new