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 Set 1.1: A 755 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 756 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc= -0.072 X(o=-0.072,f=-0.015) USER MOD Single : A 725 LYS NZ :NH3+ -163:sc= 0.76 (180deg=0.7) USER MOD Single : A 729 LYS NZ :NH3+ 160:sc= 0.939 (180deg=0.709) USER MOD Single : A 738 LYS NZ :NH3+ 171:sc= -0.0158 (180deg=-0.154) USER MOD Single : A 741 THR OG1 : rot -28:sc= 0.144 USER MOD Single : A 743 ASN : amide:sc= -0.635 X(o=-0.63,f=-0.99) USER MOD Single : A 744 ASN : amide:sc= 0.536 K(o=0.54,f=-5!) USER MOD Single : A 748 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.03) USER MOD Single : A 751 THR OG1 : rot 142:sc= -0.388! USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 THR OG1 : rot 180:sc= 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 3.117 -5.933 0.462 1.00 22.32 N ATOM 24 CA LEU A 717 3.841 -7.070 -0.053 1.00 63.44 C ATOM 25 C LEU A 717 3.726 -7.182 -1.567 1.00 2.00 C ATOM 26 O LEU A 717 4.703 -7.458 -2.238 1.00 11.33 O ATOM 27 CB LEU A 717 3.375 -8.346 0.595 1.00 31.32 C ATOM 28 CG LEU A 717 4.175 -9.588 0.231 1.00 53.34 C ATOM 29 CD1 LEU A 717 5.537 -9.568 0.909 1.00 43.02 C ATOM 30 CD2 LEU A 717 3.411 -10.850 0.572 1.00 45.03 C ATOM 0 HA LEU A 717 4.891 -6.912 0.192 1.00 63.44 H new ATOM 0 HB2 LEU A 717 3.406 -8.218 1.677 1.00 31.32 H new ATOM 0 HB3 LEU A 717 2.333 -8.513 0.324 1.00 31.32 H new ATOM 0 HG LEU A 717 4.335 -9.583 -0.847 1.00 53.34 H new ATOM 0 HD11 LEU A 717 6.093 -10.465 0.635 1.00 43.02 H new ATOM 0 HD12 LEU A 717 6.091 -8.686 0.587 1.00 43.02 H new ATOM 0 HD13 LEU A 717 5.405 -9.539 1.991 1.00 43.02 H new ATOM 0 HD21 LEU A 717 4.008 -11.721 0.301 1.00 45.03 H new ATOM 0 HD22 LEU A 717 3.203 -10.872 1.642 1.00 45.03 H new ATOM 0 HD23 LEU A 717 2.472 -10.867 0.019 1.00 45.03 H new ATOM 42 N LEU A 718 2.532 -6.933 -2.106 1.00 21.25 N ATOM 43 CA LEU A 718 2.313 -7.080 -3.555 1.00 5.30 C ATOM 44 C LEU A 718 3.090 -6.046 -4.340 1.00 14.51 C ATOM 45 O LEU A 718 3.255 -6.162 -5.549 1.00 33.55 O ATOM 46 CB LEU A 718 0.796 -7.056 -3.919 1.00 22.23 C ATOM 47 CG LEU A 718 0.005 -5.779 -3.601 1.00 0.34 C ATOM 48 CD1 LEU A 718 0.064 -4.798 -4.765 1.00 1.34 C ATOM 49 CD2 LEU A 718 -1.435 -6.120 -3.266 1.00 75.41 C ATOM 0 H LEU A 718 1.713 -6.634 -1.577 1.00 21.25 H new ATOM 0 HA LEU A 718 2.694 -8.061 -3.840 1.00 5.30 H new ATOM 0 HB2 LEU A 718 0.705 -7.249 -4.988 1.00 22.23 H new ATOM 0 HB3 LEU A 718 0.314 -7.886 -3.402 1.00 22.23 H new ATOM 0 HG LEU A 718 0.462 -5.302 -2.734 1.00 0.34 H new ATOM 0 HD11 LEU A 718 -0.504 -3.902 -4.515 1.00 1.34 H new ATOM 0 HD12 LEU A 718 1.102 -4.527 -4.960 1.00 1.34 H new ATOM 0 HD13 LEU A 718 -0.363 -5.262 -5.654 1.00 1.34 H new ATOM 0 HD21 LEU A 718 -1.983 -5.205 -3.043 1.00 75.41 H new ATOM 0 HD22 LEU A 718 -1.897 -6.622 -4.116 1.00 75.41 H new ATOM 0 HD23 LEU A 718 -1.460 -6.779 -2.398 1.00 75.41 H new ATOM 61 N ILE A 719 3.562 -5.048 -3.652 1.00 44.21 N ATOM 62 CA ILE A 719 4.342 -4.027 -4.259 1.00 34.20 C ATOM 63 C ILE A 719 5.829 -4.301 -4.040 1.00 21.12 C ATOM 64 O ILE A 719 6.664 -3.999 -4.901 1.00 34.13 O ATOM 65 CB ILE A 719 3.987 -2.622 -3.696 1.00 21.32 C ATOM 66 CG1 ILE A 719 2.474 -2.385 -3.748 1.00 35.10 C ATOM 67 CG2 ILE A 719 4.715 -1.543 -4.464 1.00 23.01 C ATOM 68 CD1 ILE A 719 1.773 -2.606 -2.421 1.00 1.25 C ATOM 0 H ILE A 719 3.412 -4.925 -2.651 1.00 44.21 H new ATOM 0 HA ILE A 719 4.118 -4.034 -5.326 1.00 34.20 H new ATOM 0 HB ILE A 719 4.306 -2.582 -2.655 1.00 21.32 H new ATOM 0 HG12 ILE A 719 2.287 -1.364 -4.081 1.00 35.10 H new ATOM 0 HG13 ILE A 719 2.037 -3.049 -4.494 1.00 35.10 H new ATOM 0 HG21 ILE A 719 4.454 -0.567 -4.056 1.00 23.01 H new ATOM 0 HG22 ILE A 719 5.791 -1.697 -4.377 1.00 23.01 H new ATOM 0 HG23 ILE A 719 4.426 -1.586 -5.514 1.00 23.01 H new ATOM 0 HD11 ILE A 719 0.706 -2.419 -2.538 1.00 1.25 H new ATOM 0 HD12 ILE A 719 1.928 -3.634 -2.095 1.00 1.25 H new ATOM 0 HD13 ILE A 719 2.181 -1.923 -1.676 1.00 1.25 H new ATOM 80 N THR A 720 6.155 -4.910 -2.901 1.00 22.04 N ATOM 81 CA THR A 720 7.534 -5.144 -2.541 1.00 43.43 C ATOM 82 C THR A 720 8.159 -6.205 -3.455 1.00 11.43 C ATOM 83 O THR A 720 9.370 -6.296 -3.573 1.00 32.32 O ATOM 84 CB THR A 720 7.680 -5.560 -1.033 1.00 32.40 C ATOM 85 OG1 THR A 720 8.986 -5.202 -0.551 1.00 42.21 O ATOM 86 CG2 THR A 720 7.480 -7.058 -0.853 1.00 54.12 C ATOM 0 H THR A 720 5.476 -5.247 -2.218 1.00 22.04 H new ATOM 0 HA THR A 720 8.071 -4.205 -2.676 1.00 43.43 H new ATOM 0 HB THR A 720 6.913 -5.033 -0.466 1.00 32.40 H new ATOM 0 HG1 THR A 720 9.070 -5.463 0.390 1.00 42.21 H new ATOM 0 HG21 THR A 720 7.587 -7.315 0.201 1.00 54.12 H new ATOM 0 HG22 THR A 720 6.483 -7.336 -1.195 1.00 54.12 H new ATOM 0 HG23 THR A 720 8.227 -7.597 -1.436 1.00 54.12 H new ATOM 94 N ILE A 721 7.302 -6.982 -4.110 1.00 45.21 N ATOM 95 CA ILE A 721 7.731 -8.008 -5.032 1.00 24.02 C ATOM 96 C ILE A 721 8.587 -7.394 -6.128 1.00 20.01 C ATOM 97 O ILE A 721 9.634 -7.927 -6.491 1.00 61.42 O ATOM 98 CB ILE A 721 6.499 -8.697 -5.690 1.00 13.44 C ATOM 99 CG1 ILE A 721 5.562 -9.265 -4.617 1.00 51.33 C ATOM 100 CG2 ILE A 721 6.941 -9.793 -6.649 1.00 53.24 C ATOM 101 CD1 ILE A 721 4.288 -9.879 -5.170 1.00 43.35 C ATOM 0 H ILE A 721 6.289 -6.911 -4.011 1.00 45.21 H new ATOM 0 HA ILE A 721 8.308 -8.747 -4.476 1.00 24.02 H new ATOM 0 HB ILE A 721 5.953 -7.945 -6.261 1.00 13.44 H new ATOM 0 HG12 ILE A 721 6.099 -10.022 -4.045 1.00 51.33 H new ATOM 0 HG13 ILE A 721 5.297 -8.468 -3.922 1.00 51.33 H new ATOM 0 HG21 ILE A 721 6.064 -10.260 -7.097 1.00 53.24 H new ATOM 0 HG22 ILE A 721 7.562 -9.361 -7.434 1.00 53.24 H new ATOM 0 HG23 ILE A 721 7.514 -10.544 -6.104 1.00 53.24 H new ATOM 0 HD11 ILE A 721 3.680 -10.257 -4.348 1.00 43.35 H new ATOM 0 HD12 ILE A 721 3.727 -9.122 -5.718 1.00 43.35 H new ATOM 0 HD13 ILE A 721 4.541 -10.699 -5.842 1.00 43.35 H new ATOM 113 N HIS A 722 8.149 -6.255 -6.625 1.00 64.44 N ATOM 114 CA HIS A 722 8.831 -5.585 -7.694 1.00 73.12 C ATOM 115 C HIS A 722 10.101 -4.933 -7.191 1.00 51.43 C ATOM 116 O HIS A 722 11.131 -4.942 -7.868 1.00 11.23 O ATOM 117 CB HIS A 722 7.927 -4.544 -8.316 1.00 53.44 C ATOM 118 CG HIS A 722 8.240 -4.270 -9.729 1.00 61.43 C ATOM 119 ND1 HIS A 722 8.533 -3.019 -10.217 1.00 43.24 N ATOM 120 CD2 HIS A 722 8.291 -5.096 -10.772 1.00 31.45 C ATOM 121 CE1 HIS A 722 8.752 -3.099 -11.505 1.00 72.13 C ATOM 122 NE2 HIS A 722 8.612 -4.350 -11.870 1.00 32.44 N ATOM 0 H HIS A 722 7.312 -5.775 -6.295 1.00 64.44 H new ATOM 0 HA HIS A 722 9.097 -6.324 -8.450 1.00 73.12 H new ATOM 0 HB2 HIS A 722 6.892 -4.878 -8.238 1.00 53.44 H new ATOM 0 HB3 HIS A 722 8.006 -3.618 -7.747 1.00 53.44 H new ATOM 0 HD2 HIS A 722 8.111 -6.161 -10.753 1.00 31.45 H new ATOM 0 HE1 HIS A 722 9.005 -2.275 -12.156 1.00 72.13 H new ATOM 0 HE2 HIS A 722 8.724 -4.708 -12.819 1.00 32.44 H new ATOM 131 N ASP A 723 10.036 -4.393 -5.995 1.00 73.54 N ATOM 132 CA ASP A 723 11.181 -3.705 -5.405 1.00 65.33 C ATOM 133 C ASP A 723 12.242 -4.681 -4.948 1.00 1.15 C ATOM 134 O ASP A 723 13.389 -4.316 -4.784 1.00 31.04 O ATOM 135 CB ASP A 723 10.762 -2.819 -4.244 1.00 31.31 C ATOM 136 CG ASP A 723 10.159 -1.497 -4.678 1.00 74.41 C ATOM 137 OD1 ASP A 723 8.929 -1.438 -4.915 1.00 30.12 O ATOM 138 OD2 ASP A 723 10.912 -0.498 -4.765 1.00 75.44 O ATOM 0 H ASP A 723 9.205 -4.413 -5.404 1.00 73.54 H new ATOM 0 HA ASP A 723 11.604 -3.075 -6.187 1.00 65.33 H new ATOM 0 HB2 ASP A 723 10.038 -3.356 -3.631 1.00 31.31 H new ATOM 0 HB3 ASP A 723 11.630 -2.624 -3.615 1.00 31.31 H new ATOM 143 N ARG A 724 11.856 -5.917 -4.744 1.00 14.14 N ATOM 144 CA ARG A 724 12.810 -6.957 -4.391 1.00 41.13 C ATOM 145 C ARG A 724 13.757 -7.248 -5.533 1.00 71.31 C ATOM 146 O ARG A 724 14.903 -7.632 -5.319 1.00 15.33 O ATOM 147 CB ARG A 724 12.113 -8.228 -3.945 1.00 52.54 C ATOM 148 CG ARG A 724 11.606 -8.185 -2.523 1.00 55.42 C ATOM 149 CD ARG A 724 10.906 -9.469 -2.158 1.00 51.20 C ATOM 150 NE ARG A 724 10.582 -9.533 -0.733 1.00 31.13 N ATOM 151 CZ ARG A 724 9.576 -10.251 -0.224 1.00 33.30 C ATOM 152 NH1 ARG A 724 8.763 -10.925 -1.032 1.00 54.21 N ATOM 153 NH2 ARG A 724 9.389 -10.297 1.094 1.00 14.11 N ATOM 0 H ARG A 724 10.889 -6.234 -4.815 1.00 14.14 H new ATOM 0 HA ARG A 724 13.394 -6.580 -3.551 1.00 41.13 H new ATOM 0 HB2 ARG A 724 11.274 -8.424 -4.613 1.00 52.54 H new ATOM 0 HB3 ARG A 724 12.804 -9.064 -4.048 1.00 52.54 H new ATOM 0 HG2 ARG A 724 12.439 -8.015 -1.841 1.00 55.42 H new ATOM 0 HG3 ARG A 724 10.920 -7.346 -2.403 1.00 55.42 H new ATOM 0 HD2 ARG A 724 9.990 -9.561 -2.742 1.00 51.20 H new ATOM 0 HD3 ARG A 724 11.540 -10.315 -2.424 1.00 51.20 H new ATOM 0 HE ARG A 724 11.160 -8.996 -0.087 1.00 31.13 H new ATOM 0 HH11 ARG A 724 8.907 -10.894 -2.041 1.00 54.21 H new ATOM 0 HH12 ARG A 724 7.996 -11.473 -0.642 1.00 54.21 H new ATOM 0 HH21 ARG A 724 10.014 -9.784 1.716 1.00 14.11 H new ATOM 0 HH22 ARG A 724 8.621 -10.845 1.481 1.00 14.11 H new ATOM 167 N LYS A 725 13.288 -7.062 -6.732 1.00 61.03 N ATOM 168 CA LYS A 725 14.111 -7.281 -7.887 1.00 14.13 C ATOM 169 C LYS A 725 15.050 -6.095 -8.087 1.00 4.34 C ATOM 170 O LYS A 725 16.257 -6.261 -8.259 1.00 32.24 O ATOM 171 CB LYS A 725 13.240 -7.478 -9.148 1.00 73.54 C ATOM 172 CG LYS A 725 12.094 -8.522 -9.020 1.00 33.41 C ATOM 173 CD LYS A 725 12.605 -9.977 -8.900 1.00 65.35 C ATOM 174 CE LYS A 725 13.096 -10.302 -7.496 1.00 51.43 C ATOM 175 NZ LYS A 725 13.413 -11.733 -7.338 1.00 12.32 N ATOM 0 H LYS A 725 12.336 -6.758 -6.937 1.00 61.03 H new ATOM 0 HA LYS A 725 14.699 -8.185 -7.727 1.00 14.13 H new ATOM 0 HB2 LYS A 725 12.803 -6.517 -9.419 1.00 73.54 H new ATOM 0 HB3 LYS A 725 13.888 -7.777 -9.972 1.00 73.54 H new ATOM 0 HG2 LYS A 725 11.490 -8.283 -8.145 1.00 33.41 H new ATOM 0 HG3 LYS A 725 11.441 -8.444 -9.889 1.00 33.41 H new ATOM 0 HD2 LYS A 725 11.804 -10.665 -9.171 1.00 65.35 H new ATOM 0 HD3 LYS A 725 13.415 -10.135 -9.612 1.00 65.35 H new ATOM 0 HE2 LYS A 725 13.983 -9.708 -7.276 1.00 51.43 H new ATOM 0 HE3 LYS A 725 12.334 -10.018 -6.771 1.00 51.43 H new ATOM 0 HZ1 LYS A 725 13.462 -11.968 -6.326 1.00 12.32 H new ATOM 0 HZ2 LYS A 725 12.671 -12.305 -7.790 1.00 12.32 H new ATOM 0 HZ3 LYS A 725 14.329 -11.937 -7.786 1.00 12.32 H new ATOM 189 N GLU A 726 14.486 -4.902 -8.063 1.00 11.11 N ATOM 190 CA GLU A 726 15.252 -3.704 -8.296 1.00 24.04 C ATOM 191 C GLU A 726 16.093 -3.291 -7.065 1.00 41.42 C ATOM 192 O GLU A 726 17.323 -3.274 -7.115 1.00 70.51 O ATOM 193 CB GLU A 726 14.341 -2.557 -8.737 1.00 43.41 C ATOM 194 CG GLU A 726 15.082 -1.266 -9.046 1.00 43.14 C ATOM 195 CD GLU A 726 16.119 -1.434 -10.134 1.00 44.05 C ATOM 196 OE1 GLU A 726 17.248 -1.864 -9.829 1.00 42.53 O ATOM 197 OE2 GLU A 726 15.817 -1.124 -11.299 1.00 60.12 O ATOM 0 H GLU A 726 13.495 -4.742 -7.883 1.00 11.11 H new ATOM 0 HA GLU A 726 15.953 -3.927 -9.100 1.00 24.04 H new ATOM 0 HB2 GLU A 726 13.786 -2.867 -9.622 1.00 43.41 H new ATOM 0 HB3 GLU A 726 13.609 -2.365 -7.953 1.00 43.41 H new ATOM 0 HG2 GLU A 726 14.364 -0.503 -9.349 1.00 43.14 H new ATOM 0 HG3 GLU A 726 15.568 -0.905 -8.140 1.00 43.14 H new ATOM 204 N PHE A 727 15.420 -2.974 -5.987 1.00 54.11 N ATOM 205 CA PHE A 727 16.065 -2.423 -4.812 1.00 34.40 C ATOM 206 C PHE A 727 16.728 -3.486 -3.957 1.00 4.01 C ATOM 207 O PHE A 727 17.905 -3.368 -3.618 1.00 41.22 O ATOM 208 CB PHE A 727 15.072 -1.614 -3.981 1.00 71.24 C ATOM 209 CG PHE A 727 15.648 -1.085 -2.702 1.00 14.33 C ATOM 210 CD1 PHE A 727 16.822 -0.357 -2.705 1.00 33.23 C ATOM 211 CD2 PHE A 727 15.025 -1.324 -1.503 1.00 52.42 C ATOM 212 CE1 PHE A 727 17.355 0.121 -1.533 1.00 5.54 C ATOM 213 CE2 PHE A 727 15.549 -0.853 -0.329 1.00 54.32 C ATOM 214 CZ PHE A 727 16.718 -0.125 -0.341 1.00 1.54 C ATOM 0 H PHE A 727 14.411 -3.089 -5.895 1.00 54.11 H new ATOM 0 HA PHE A 727 16.855 -1.762 -5.169 1.00 34.40 H new ATOM 0 HB2 PHE A 727 14.708 -0.778 -4.578 1.00 71.24 H new ATOM 0 HB3 PHE A 727 14.210 -2.240 -3.750 1.00 71.24 H new ATOM 0 HD1 PHE A 727 17.326 -0.161 -3.640 1.00 33.23 H new ATOM 0 HD2 PHE A 727 14.107 -1.893 -1.485 1.00 52.42 H new ATOM 0 HE1 PHE A 727 18.273 0.689 -1.548 1.00 5.54 H new ATOM 0 HE2 PHE A 727 15.046 -1.052 0.606 1.00 54.32 H new ATOM 0 HZ PHE A 727 17.132 0.251 0.583 1.00 1.54 H new ATOM 224 N ALA A 728 15.980 -4.517 -3.603 1.00 22.35 N ATOM 225 CA ALA A 728 16.490 -5.547 -2.700 1.00 51.21 C ATOM 226 C ALA A 728 17.734 -6.176 -3.231 1.00 33.10 C ATOM 227 O ALA A 728 18.699 -6.324 -2.518 1.00 0.44 O ATOM 228 CB ALA A 728 15.458 -6.594 -2.433 1.00 43.01 C ATOM 0 H ALA A 728 15.023 -4.667 -3.922 1.00 22.35 H new ATOM 0 HA ALA A 728 16.733 -5.053 -1.759 1.00 51.21 H new ATOM 0 HB1 ALA A 728 15.868 -7.345 -1.758 1.00 43.01 H new ATOM 0 HB2 ALA A 728 14.583 -6.134 -1.975 1.00 43.01 H new ATOM 0 HB3 ALA A 728 15.169 -7.068 -3.371 1.00 43.01 H new ATOM 234 N LYS A 729 17.724 -6.517 -4.508 1.00 42.13 N ATOM 235 CA LYS A 729 18.853 -7.166 -5.115 1.00 64.31 C ATOM 236 C LYS A 729 20.105 -6.287 -5.052 1.00 23.14 C ATOM 237 O LYS A 729 21.232 -6.786 -5.097 1.00 63.32 O ATOM 238 CB LYS A 729 18.543 -7.581 -6.553 1.00 41.51 C ATOM 239 CG LYS A 729 19.533 -8.597 -7.163 1.00 40.40 C ATOM 240 CD LYS A 729 19.561 -9.915 -6.369 1.00 73.51 C ATOM 241 CE LYS A 729 20.578 -9.878 -5.236 1.00 2.55 C ATOM 242 NZ LYS A 729 21.969 -9.925 -5.741 1.00 32.04 N ATOM 0 H LYS A 729 16.940 -6.351 -5.139 1.00 42.13 H new ATOM 0 HA LYS A 729 19.058 -8.071 -4.543 1.00 64.31 H new ATOM 0 HB2 LYS A 729 17.541 -8.008 -6.585 1.00 41.51 H new ATOM 0 HB3 LYS A 729 18.529 -6.689 -7.179 1.00 41.51 H new ATOM 0 HG2 LYS A 729 19.254 -8.801 -8.197 1.00 40.40 H new ATOM 0 HG3 LYS A 729 20.533 -8.163 -7.183 1.00 40.40 H new ATOM 0 HD2 LYS A 729 18.570 -10.113 -5.960 1.00 73.51 H new ATOM 0 HD3 LYS A 729 19.798 -10.739 -7.042 1.00 73.51 H new ATOM 0 HE2 LYS A 729 20.435 -8.970 -4.649 1.00 2.55 H new ATOM 0 HE3 LYS A 729 20.406 -10.721 -4.566 1.00 2.55 H new ATOM 0 HZ1 LYS A 729 22.616 -9.565 -5.010 1.00 32.04 H new ATOM 0 HZ2 LYS A 729 22.221 -10.907 -5.973 1.00 32.04 H new ATOM 0 HZ3 LYS A 729 22.049 -9.336 -6.594 1.00 32.04 H new ATOM 256 N PHE A 730 19.906 -5.004 -4.940 1.00 4.13 N ATOM 257 CA PHE A 730 20.993 -4.082 -4.811 1.00 33.31 C ATOM 258 C PHE A 730 21.547 -4.149 -3.424 1.00 22.53 C ATOM 259 O PHE A 730 22.738 -4.389 -3.222 1.00 70.11 O ATOM 260 CB PHE A 730 20.512 -2.675 -5.083 1.00 72.21 C ATOM 261 CG PHE A 730 21.622 -1.665 -5.267 1.00 43.12 C ATOM 262 CD1 PHE A 730 22.250 -1.521 -6.492 1.00 60.42 C ATOM 263 CD2 PHE A 730 22.033 -0.863 -4.210 1.00 25.55 C ATOM 264 CE1 PHE A 730 23.266 -0.600 -6.663 1.00 60.35 C ATOM 265 CE2 PHE A 730 23.047 0.059 -4.374 1.00 71.01 C ATOM 266 CZ PHE A 730 23.664 0.192 -5.603 1.00 14.34 C ATOM 0 H PHE A 730 18.983 -4.570 -4.936 1.00 4.13 H new ATOM 0 HA PHE A 730 21.767 -4.347 -5.531 1.00 33.31 H new ATOM 0 HB2 PHE A 730 19.891 -2.682 -5.978 1.00 72.21 H new ATOM 0 HB3 PHE A 730 19.877 -2.354 -4.257 1.00 72.21 H new ATOM 0 HD1 PHE A 730 21.942 -2.136 -7.325 1.00 60.42 H new ATOM 0 HD2 PHE A 730 21.553 -0.962 -3.248 1.00 25.55 H new ATOM 0 HE1 PHE A 730 23.748 -0.499 -7.624 1.00 60.35 H new ATOM 0 HE2 PHE A 730 23.357 0.675 -3.543 1.00 71.01 H new ATOM 0 HZ PHE A 730 24.456 0.914 -5.735 1.00 14.34 H new ATOM 276 N GLU A 731 20.676 -3.964 -2.464 1.00 53.21 N ATOM 277 CA GLU A 731 21.062 -3.877 -1.096 1.00 61.51 C ATOM 278 C GLU A 731 21.563 -5.230 -0.567 1.00 12.11 C ATOM 279 O GLU A 731 22.407 -5.277 0.317 1.00 24.30 O ATOM 280 CB GLU A 731 19.906 -3.333 -0.247 1.00 32.51 C ATOM 281 CG GLU A 731 18.801 -4.342 0.060 1.00 34.33 C ATOM 282 CD GLU A 731 17.729 -3.780 0.975 1.00 15.52 C ATOM 283 OE1 GLU A 731 18.079 -3.227 2.057 1.00 3.43 O ATOM 284 OE2 GLU A 731 16.534 -3.899 0.639 1.00 21.11 O ATOM 0 H GLU A 731 19.673 -3.870 -2.621 1.00 53.21 H new ATOM 0 HA GLU A 731 21.895 -3.178 -1.021 1.00 61.51 H new ATOM 0 HB2 GLU A 731 20.310 -2.961 0.695 1.00 32.51 H new ATOM 0 HB3 GLU A 731 19.466 -2.480 -0.764 1.00 32.51 H new ATOM 0 HG2 GLU A 731 18.342 -4.666 -0.874 1.00 34.33 H new ATOM 0 HG3 GLU A 731 19.240 -5.226 0.523 1.00 34.33 H new ATOM 291 N GLU A 732 21.041 -6.327 -1.140 1.00 53.12 N ATOM 292 CA GLU A 732 21.439 -7.681 -0.757 1.00 45.41 C ATOM 293 C GLU A 732 22.938 -7.907 -0.898 1.00 74.40 C ATOM 294 O GLU A 732 23.509 -8.701 -0.177 1.00 13.24 O ATOM 295 CB GLU A 732 20.665 -8.727 -1.558 1.00 71.03 C ATOM 296 CG GLU A 732 19.238 -8.956 -1.064 1.00 41.05 C ATOM 297 CD GLU A 732 18.511 -10.012 -1.859 1.00 32.34 C ATOM 298 OE1 GLU A 732 18.632 -11.212 -1.522 1.00 41.40 O ATOM 299 OE2 GLU A 732 17.824 -9.661 -2.825 1.00 71.41 O ATOM 0 H GLU A 732 20.336 -6.295 -1.877 1.00 53.12 H new ATOM 0 HA GLU A 732 21.192 -7.793 0.299 1.00 45.41 H new ATOM 0 HB2 GLU A 732 20.632 -8.418 -2.603 1.00 71.03 H new ATOM 0 HB3 GLU A 732 21.207 -9.672 -1.522 1.00 71.03 H new ATOM 0 HG2 GLU A 732 19.264 -9.250 -0.015 1.00 41.05 H new ATOM 0 HG3 GLU A 732 18.684 -8.019 -1.119 1.00 41.05 H new ATOM 306 N GLU A 733 23.564 -7.203 -1.815 1.00 52.23 N ATOM 307 CA GLU A 733 24.999 -7.335 -2.012 1.00 44.15 C ATOM 308 C GLU A 733 25.751 -6.930 -0.760 1.00 44.43 C ATOM 309 O GLU A 733 26.701 -7.577 -0.368 1.00 45.24 O ATOM 310 CB GLU A 733 25.454 -6.508 -3.187 1.00 50.20 C ATOM 311 CG GLU A 733 24.852 -6.940 -4.494 1.00 23.41 C ATOM 312 CD GLU A 733 25.208 -8.365 -4.853 1.00 10.05 C ATOM 313 OE1 GLU A 733 26.349 -8.608 -5.291 1.00 42.43 O ATOM 314 OE2 GLU A 733 24.353 -9.254 -4.696 1.00 74.12 O ATOM 0 H GLU A 733 23.108 -6.535 -2.436 1.00 52.23 H new ATOM 0 HA GLU A 733 25.217 -8.382 -2.222 1.00 44.15 H new ATOM 0 HB2 GLU A 733 25.199 -5.464 -3.006 1.00 50.20 H new ATOM 0 HB3 GLU A 733 26.540 -6.563 -3.261 1.00 50.20 H new ATOM 0 HG2 GLU A 733 23.768 -6.842 -4.441 1.00 23.41 H new ATOM 0 HG3 GLU A 733 25.194 -6.273 -5.286 1.00 23.41 H new ATOM 321 N ARG A 734 25.323 -5.858 -0.156 1.00 72.15 N ATOM 322 CA ARG A 734 25.877 -5.402 1.096 1.00 13.42 C ATOM 323 C ARG A 734 25.268 -6.167 2.279 1.00 12.32 C ATOM 324 O ARG A 734 25.982 -6.639 3.169 1.00 11.51 O ATOM 325 CB ARG A 734 25.647 -3.884 1.259 1.00 2.34 C ATOM 326 CG ARG A 734 25.987 -3.336 2.638 1.00 31.43 C ATOM 327 CD ARG A 734 27.426 -3.606 3.006 1.00 41.22 C ATOM 328 NE ARG A 734 27.727 -3.165 4.365 1.00 35.23 N ATOM 329 CZ ARG A 734 28.938 -3.197 4.926 1.00 54.10 C ATOM 330 NH1 ARG A 734 29.987 -3.636 4.233 1.00 14.34 N ATOM 331 NH2 ARG A 734 29.098 -2.786 6.173 1.00 45.23 N ATOM 0 H ARG A 734 24.574 -5.268 -0.518 1.00 72.15 H new ATOM 0 HA ARG A 734 26.949 -5.597 1.086 1.00 13.42 H new ATOM 0 HB2 ARG A 734 26.245 -3.357 0.516 1.00 2.34 H new ATOM 0 HB3 ARG A 734 24.602 -3.663 1.042 1.00 2.34 H new ATOM 0 HG2 ARG A 734 25.801 -2.262 2.659 1.00 31.43 H new ATOM 0 HG3 ARG A 734 25.330 -3.788 3.381 1.00 31.43 H new ATOM 0 HD2 ARG A 734 27.631 -4.673 2.916 1.00 41.22 H new ATOM 0 HD3 ARG A 734 28.084 -3.094 2.303 1.00 41.22 H new ATOM 0 HE ARG A 734 26.955 -2.806 4.927 1.00 35.23 H new ATOM 0 HH11 ARG A 734 29.867 -3.949 3.270 1.00 14.34 H new ATOM 0 HH12 ARG A 734 30.911 -3.659 4.665 1.00 14.34 H new ATOM 0 HH21 ARG A 734 28.297 -2.445 6.704 1.00 45.23 H new ATOM 0 HH22 ARG A 734 30.023 -2.810 6.603 1.00 45.23 H new ATOM 345 N ALA A 735 23.965 -6.293 2.262 1.00 63.33 N ATOM 346 CA ALA A 735 23.216 -6.833 3.391 1.00 53.30 C ATOM 347 C ALA A 735 23.387 -8.340 3.533 1.00 73.41 C ATOM 348 O ALA A 735 23.825 -8.831 4.577 1.00 5.45 O ATOM 349 CB ALA A 735 21.744 -6.475 3.260 1.00 4.31 C ATOM 0 H ALA A 735 23.384 -6.026 1.468 1.00 63.33 H new ATOM 0 HA ALA A 735 23.620 -6.380 4.296 1.00 53.30 H new ATOM 0 HB1 ALA A 735 21.194 -6.883 4.108 1.00 4.31 H new ATOM 0 HB2 ALA A 735 21.633 -5.391 3.243 1.00 4.31 H new ATOM 0 HB3 ALA A 735 21.348 -6.894 2.335 1.00 4.31 H new ATOM 355 N ARG A 736 23.065 -9.064 2.492 1.00 21.12 N ATOM 356 CA ARG A 736 23.096 -10.521 2.532 1.00 14.45 C ATOM 357 C ARG A 736 24.545 -11.045 2.578 1.00 43.45 C ATOM 358 O ARG A 736 24.788 -12.212 2.882 1.00 10.31 O ATOM 359 CB ARG A 736 22.331 -11.116 1.324 1.00 2.43 C ATOM 360 CG ARG A 736 22.243 -12.629 1.334 1.00 51.14 C ATOM 361 CD ARG A 736 21.572 -13.167 0.093 1.00 73.13 C ATOM 362 NE ARG A 736 21.756 -14.618 -0.022 1.00 14.22 N ATOM 363 CZ ARG A 736 21.926 -15.281 -1.174 1.00 65.22 C ATOM 364 NH1 ARG A 736 21.788 -14.657 -2.344 1.00 22.51 N ATOM 365 NH2 ARG A 736 22.198 -16.564 -1.145 1.00 24.40 N ATOM 0 H ARG A 736 22.775 -8.674 1.595 1.00 21.12 H new ATOM 0 HA ARG A 736 22.597 -10.844 3.446 1.00 14.45 H new ATOM 0 HB2 ARG A 736 21.322 -10.704 1.307 1.00 2.43 H new ATOM 0 HB3 ARG A 736 22.821 -10.797 0.404 1.00 2.43 H new ATOM 0 HG2 ARG A 736 23.245 -13.049 1.415 1.00 51.14 H new ATOM 0 HG3 ARG A 736 21.689 -12.954 2.215 1.00 51.14 H new ATOM 0 HD2 ARG A 736 20.508 -12.934 0.122 1.00 73.13 H new ATOM 0 HD3 ARG A 736 21.983 -12.675 -0.788 1.00 73.13 H new ATOM 0 HE ARG A 736 21.754 -15.163 0.840 1.00 14.22 H new ATOM 0 HH11 ARG A 736 21.551 -13.665 -2.368 1.00 22.51 H new ATOM 0 HH12 ARG A 736 21.920 -15.171 -3.215 1.00 22.51 H new ATOM 0 HH21 ARG A 736 22.278 -17.048 -0.251 1.00 24.40 H new ATOM 0 HH22 ARG A 736 22.329 -17.077 -2.017 1.00 24.40 H new ATOM 379 N ALA A 737 25.500 -10.164 2.307 1.00 51.33 N ATOM 380 CA ALA A 737 26.911 -10.544 2.319 1.00 32.54 C ATOM 381 C ALA A 737 27.411 -10.777 3.737 1.00 52.44 C ATOM 382 O ALA A 737 28.505 -11.315 3.940 1.00 70.41 O ATOM 383 CB ALA A 737 27.740 -9.490 1.656 1.00 5.13 C ATOM 0 H ALA A 737 25.327 -9.185 2.077 1.00 51.33 H new ATOM 0 HA ALA A 737 27.006 -11.478 1.766 1.00 32.54 H new ATOM 0 HB1 ALA A 737 28.788 -9.788 1.673 1.00 5.13 H new ATOM 0 HB2 ALA A 737 27.414 -9.367 0.623 1.00 5.13 H new ATOM 0 HB3 ALA A 737 27.622 -8.546 2.188 1.00 5.13 H new ATOM 389 N LYS A 738 26.624 -10.372 4.703 1.00 41.12 N ATOM 390 CA LYS A 738 27.009 -10.463 6.080 1.00 5.25 C ATOM 391 C LYS A 738 25.853 -10.959 6.934 1.00 13.11 C ATOM 392 O LYS A 738 26.046 -11.694 7.907 1.00 72.42 O ATOM 393 CB LYS A 738 27.503 -9.098 6.571 1.00 54.25 C ATOM 394 CG LYS A 738 28.238 -9.133 7.914 1.00 5.43 C ATOM 395 CD LYS A 738 29.539 -9.921 7.823 1.00 54.52 C ATOM 396 CE LYS A 738 30.502 -9.312 6.803 1.00 52.51 C ATOM 397 NZ LYS A 738 30.872 -7.921 7.145 1.00 23.44 N ATOM 0 H LYS A 738 25.699 -9.970 4.551 1.00 41.12 H new ATOM 0 HA LYS A 738 27.821 -11.185 6.171 1.00 5.25 H new ATOM 0 HB2 LYS A 738 28.168 -8.674 5.818 1.00 54.25 H new ATOM 0 HB3 LYS A 738 26.649 -8.426 6.656 1.00 54.25 H new ATOM 0 HG2 LYS A 738 28.451 -8.115 8.239 1.00 5.43 H new ATOM 0 HG3 LYS A 738 27.593 -9.581 8.670 1.00 5.43 H new ATOM 0 HD2 LYS A 738 30.017 -9.948 8.802 1.00 54.52 H new ATOM 0 HD3 LYS A 738 29.321 -10.952 7.546 1.00 54.52 H new ATOM 0 HE2 LYS A 738 31.403 -9.923 6.747 1.00 52.51 H new ATOM 0 HE3 LYS A 738 30.042 -9.331 5.815 1.00 52.51 H new ATOM 0 HZ1 LYS A 738 31.638 -7.601 6.518 1.00 23.44 H new ATOM 0 HZ2 LYS A 738 30.045 -7.302 7.025 1.00 23.44 H new ATOM 0 HZ3 LYS A 738 31.194 -7.880 8.133 1.00 23.44 H new ATOM 411 N TRP A 739 24.647 -10.573 6.553 1.00 70.13 N ATOM 412 CA TRP A 739 23.456 -10.884 7.322 1.00 24.11 C ATOM 413 C TRP A 739 22.437 -11.565 6.447 1.00 11.55 C ATOM 414 O TRP A 739 21.247 -11.223 6.468 1.00 74.24 O ATOM 415 CB TRP A 739 22.875 -9.596 7.903 1.00 32.05 C ATOM 416 CG TRP A 739 23.900 -8.768 8.604 1.00 42.30 C ATOM 417 CD1 TRP A 739 24.867 -8.025 8.018 1.00 35.41 C ATOM 418 CD2 TRP A 739 24.064 -8.598 10.011 1.00 23.32 C ATOM 419 NE1 TRP A 739 25.647 -7.444 8.945 1.00 21.24 N ATOM 420 CE2 TRP A 739 25.172 -7.755 10.191 1.00 50.43 C ATOM 421 CE3 TRP A 739 23.390 -9.078 11.136 1.00 23.21 C ATOM 422 CZ2 TRP A 739 25.629 -7.378 11.451 1.00 33.32 C ATOM 423 CZ3 TRP A 739 23.839 -8.702 12.387 1.00 12.44 C ATOM 424 CH2 TRP A 739 24.950 -7.859 12.535 1.00 43.41 C ATOM 0 H TRP A 739 24.467 -10.037 5.704 1.00 70.13 H new ATOM 0 HA TRP A 739 23.720 -11.559 8.137 1.00 24.11 H new ATOM 0 HB2 TRP A 739 22.427 -9.010 7.101 1.00 32.05 H new ATOM 0 HB3 TRP A 739 22.075 -9.845 8.601 1.00 32.05 H new ATOM 0 HD1 TRP A 739 24.994 -7.914 6.951 1.00 35.41 H new ATOM 0 HE1 TRP A 739 26.463 -6.864 8.751 1.00 21.24 H new ATOM 0 HE3 TRP A 739 22.535 -9.730 11.030 1.00 23.21 H new ATOM 0 HZ2 TRP A 739 26.486 -6.731 11.567 1.00 33.32 H new ATOM 0 HZ3 TRP A 739 23.326 -9.063 13.266 1.00 12.44 H new ATOM 0 HH2 TRP A 739 25.276 -7.584 13.527 1.00 43.41 H new ATOM 435 N ASP A 740 22.897 -12.518 5.681 1.00 41.43 N ATOM 436 CA ASP A 740 22.043 -13.318 4.815 1.00 22.45 C ATOM 437 C ASP A 740 20.831 -13.896 5.563 1.00 32.33 C ATOM 438 O ASP A 740 19.728 -13.886 5.047 1.00 70.21 O ATOM 439 CB ASP A 740 22.853 -14.448 4.137 1.00 24.23 C ATOM 440 CG ASP A 740 23.496 -15.407 5.116 1.00 71.41 C ATOM 441 OD1 ASP A 740 24.551 -15.057 5.687 1.00 33.30 O ATOM 442 OD2 ASP A 740 22.959 -16.511 5.323 1.00 33.22 O ATOM 0 H ASP A 740 23.884 -12.771 5.633 1.00 41.43 H new ATOM 0 HA ASP A 740 21.657 -12.651 4.044 1.00 22.45 H new ATOM 0 HB2 ASP A 740 22.194 -15.008 3.473 1.00 24.23 H new ATOM 0 HB3 ASP A 740 23.629 -14.003 3.514 1.00 24.23 H new ATOM 447 N THR A 741 21.039 -14.352 6.789 1.00 43.32 N ATOM 448 CA THR A 741 19.956 -14.971 7.555 1.00 11.23 C ATOM 449 C THR A 741 19.040 -13.906 8.198 1.00 0.13 C ATOM 450 O THR A 741 17.919 -14.203 8.620 1.00 54.22 O ATOM 451 CB THR A 741 20.498 -15.943 8.660 1.00 62.51 C ATOM 452 OG1 THR A 741 19.405 -16.629 9.291 1.00 42.30 O ATOM 453 CG2 THR A 741 21.287 -15.181 9.717 1.00 14.55 C ATOM 0 H THR A 741 21.935 -14.309 7.275 1.00 43.32 H new ATOM 0 HA THR A 741 19.371 -15.556 6.845 1.00 11.23 H new ATOM 0 HB THR A 741 21.159 -16.664 8.179 1.00 62.51 H new ATOM 0 HG1 THR A 741 18.602 -16.069 9.254 1.00 42.30 H new ATOM 0 HG21 THR A 741 21.652 -15.878 10.472 1.00 14.55 H new ATOM 0 HG22 THR A 741 22.133 -14.679 9.248 1.00 14.55 H new ATOM 0 HG23 THR A 741 20.642 -14.440 10.189 1.00 14.55 H new ATOM 461 N ALA A 742 19.513 -12.684 8.250 1.00 70.33 N ATOM 462 CA ALA A 742 18.768 -11.614 8.878 1.00 52.11 C ATOM 463 C ALA A 742 17.878 -10.912 7.872 1.00 33.53 C ATOM 464 O ALA A 742 16.775 -10.444 8.205 1.00 71.52 O ATOM 465 CB ALA A 742 19.717 -10.625 9.529 1.00 74.12 C ATOM 0 H ALA A 742 20.414 -12.403 7.864 1.00 70.33 H new ATOM 0 HA ALA A 742 18.131 -12.047 9.649 1.00 52.11 H new ATOM 0 HB1 ALA A 742 19.144 -9.825 9.998 1.00 74.12 H new ATOM 0 HB2 ALA A 742 20.312 -11.136 10.286 1.00 74.12 H new ATOM 0 HB3 ALA A 742 20.378 -10.202 8.772 1.00 74.12 H new ATOM 471 N ASN A 743 18.340 -10.840 6.653 1.00 62.31 N ATOM 472 CA ASN A 743 17.592 -10.181 5.594 1.00 32.11 C ATOM 473 C ASN A 743 16.729 -11.158 4.870 1.00 1.42 C ATOM 474 O ASN A 743 15.603 -10.838 4.465 1.00 72.42 O ATOM 475 CB ASN A 743 18.542 -9.511 4.593 1.00 44.42 C ATOM 476 CG ASN A 743 19.330 -8.385 5.188 1.00 21.32 C ATOM 477 OD1 ASN A 743 18.895 -7.242 5.177 1.00 3.20 O ATOM 478 ND2 ASN A 743 20.488 -8.688 5.700 1.00 5.01 N ATOM 0 H ASN A 743 19.236 -11.229 6.358 1.00 62.31 H new ATOM 0 HA ASN A 743 16.964 -9.421 6.058 1.00 32.11 H new ATOM 0 HB2 ASN A 743 19.230 -10.259 4.199 1.00 44.42 H new ATOM 0 HB3 ASN A 743 17.963 -9.135 3.749 1.00 44.42 H new ATOM 0 HD21 ASN A 743 21.070 -7.959 6.113 1.00 5.01 H new ATOM 0 HD22 ASN A 743 20.813 -9.655 5.689 1.00 5.01 H new ATOM 485 N ASN A 744 17.234 -12.348 4.711 1.00 14.14 N ATOM 486 CA ASN A 744 16.577 -13.353 3.934 1.00 4.42 C ATOM 487 C ASN A 744 16.157 -14.522 4.833 1.00 42.30 C ATOM 488 O ASN A 744 16.901 -14.926 5.723 1.00 14.31 O ATOM 489 CB ASN A 744 17.508 -13.828 2.772 1.00 71.41 C ATOM 490 CG ASN A 744 17.829 -12.699 1.738 1.00 32.11 C ATOM 491 OD1 ASN A 744 17.875 -11.523 2.078 1.00 23.23 O ATOM 492 ND2 ASN A 744 18.052 -13.069 0.505 1.00 62.20 N ATOM 0 H ASN A 744 18.119 -12.647 5.121 1.00 14.14 H new ATOM 0 HA ASN A 744 15.675 -12.933 3.488 1.00 4.42 H new ATOM 0 HB2 ASN A 744 18.441 -14.202 3.193 1.00 71.41 H new ATOM 0 HB3 ASN A 744 17.035 -14.662 2.254 1.00 71.41 H new ATOM 0 HD21 ASN A 744 18.272 -12.371 -0.205 1.00 62.20 H new ATOM 0 HD22 ASN A 744 18.006 -14.056 0.253 1.00 62.20 H new ATOM 499 N PRO A 745 14.954 -15.068 4.610 1.00 45.24 N ATOM 500 CA PRO A 745 14.343 -16.069 5.515 1.00 10.02 C ATOM 501 C PRO A 745 14.887 -17.493 5.316 1.00 52.41 C ATOM 502 O PRO A 745 14.621 -18.385 6.124 1.00 40.24 O ATOM 503 CB PRO A 745 12.879 -16.015 5.108 1.00 62.45 C ATOM 504 CG PRO A 745 12.922 -15.709 3.652 1.00 52.23 C ATOM 505 CD PRO A 745 14.072 -14.758 3.462 1.00 31.42 C ATOM 0 HA PRO A 745 14.547 -15.846 6.562 1.00 10.02 H new ATOM 0 HB2 PRO A 745 12.375 -16.962 5.302 1.00 62.45 H new ATOM 0 HB3 PRO A 745 12.339 -15.247 5.662 1.00 62.45 H new ATOM 0 HG2 PRO A 745 13.066 -16.617 3.067 1.00 52.23 H new ATOM 0 HG3 PRO A 745 11.986 -15.260 3.320 1.00 52.23 H new ATOM 0 HD2 PRO A 745 14.577 -14.921 2.510 1.00 31.42 H new ATOM 0 HD3 PRO A 745 13.743 -13.719 3.475 1.00 31.42 H new ATOM 513 N LEU A 746 15.632 -17.694 4.261 1.00 43.42 N ATOM 514 CA LEU A 746 16.143 -19.018 3.919 1.00 44.52 C ATOM 515 C LEU A 746 17.189 -18.906 2.865 1.00 54.10 C ATOM 516 O LEU A 746 18.205 -19.602 2.893 1.00 14.11 O ATOM 517 CB LEU A 746 14.983 -19.925 3.434 1.00 40.22 C ATOM 518 CG LEU A 746 15.357 -21.343 2.991 1.00 74.45 C ATOM 519 CD1 LEU A 746 16.098 -22.075 4.101 1.00 25.43 C ATOM 520 CD2 LEU A 746 14.107 -22.118 2.598 1.00 62.21 C ATOM 0 H LEU A 746 15.907 -16.957 3.611 1.00 43.42 H new ATOM 0 HA LEU A 746 16.590 -19.466 4.806 1.00 44.52 H new ATOM 0 HB2 LEU A 746 14.252 -20.002 4.239 1.00 40.22 H new ATOM 0 HB3 LEU A 746 14.488 -19.427 2.600 1.00 40.22 H new ATOM 0 HG LEU A 746 16.016 -21.270 2.125 1.00 74.45 H new ATOM 0 HD11 LEU A 746 16.354 -23.080 3.766 1.00 25.43 H new ATOM 0 HD12 LEU A 746 17.010 -21.532 4.350 1.00 25.43 H new ATOM 0 HD13 LEU A 746 15.461 -22.138 4.983 1.00 25.43 H new ATOM 0 HD21 LEU A 746 14.386 -23.124 2.285 1.00 62.21 H new ATOM 0 HD22 LEU A 746 13.432 -22.178 3.452 1.00 62.21 H new ATOM 0 HD23 LEU A 746 13.606 -21.608 1.775 1.00 62.21 H new ATOM 556 N LYS A 748 16.113 -16.819 -0.256 1.00 31.44 N ATOM 557 CA LYS A 748 15.352 -15.852 -0.900 1.00 20.41 C ATOM 558 C LYS A 748 13.965 -15.907 -0.281 1.00 40.23 C ATOM 559 O LYS A 748 13.766 -16.629 0.704 1.00 10.22 O ATOM 560 CB LYS A 748 15.272 -16.200 -2.381 1.00 24.34 C ATOM 561 CG LYS A 748 16.596 -16.169 -3.138 1.00 75.20 C ATOM 562 CD LYS A 748 17.329 -14.861 -2.970 1.00 71.32 C ATOM 563 CE LYS A 748 16.550 -13.694 -3.574 1.00 13.43 C ATOM 564 NZ LYS A 748 17.357 -12.455 -3.624 1.00 4.43 N ATOM 0 HA LYS A 748 15.784 -14.857 -0.795 1.00 20.41 H new ATOM 0 HB2 LYS A 748 14.841 -17.197 -2.479 1.00 24.34 H new ATOM 0 HB3 LYS A 748 14.583 -15.506 -2.862 1.00 24.34 H new ATOM 0 HG2 LYS A 748 17.230 -16.984 -2.788 1.00 75.20 H new ATOM 0 HG3 LYS A 748 16.409 -16.343 -4.198 1.00 75.20 H new ATOM 0 HD2 LYS A 748 17.501 -14.674 -1.910 1.00 71.32 H new ATOM 0 HD3 LYS A 748 18.308 -14.929 -3.444 1.00 71.32 H new ATOM 0 HE2 LYS A 748 16.227 -13.957 -4.581 1.00 13.43 H new ATOM 0 HE3 LYS A 748 15.649 -13.516 -2.986 1.00 13.43 H new ATOM 0 HZ1 LYS A 748 16.761 -11.665 -3.945 1.00 4.43 H new ATOM 0 HZ2 LYS A 748 17.729 -12.245 -2.676 1.00 4.43 H new ATOM 0 HZ3 LYS A 748 18.149 -12.583 -4.286 1.00 4.43 H new ATOM 578 N GLU A 749 13.026 -15.203 -0.826 1.00 52.52 N ATOM 579 CA GLU A 749 11.677 -15.229 -0.278 1.00 73.44 C ATOM 580 C GLU A 749 10.860 -16.392 -0.876 1.00 12.31 C ATOM 581 O GLU A 749 10.119 -17.069 -0.169 1.00 52.32 O ATOM 582 CB GLU A 749 10.944 -13.864 -0.474 1.00 72.34 C ATOM 583 CG GLU A 749 10.544 -13.534 -1.915 1.00 24.04 C ATOM 584 CD GLU A 749 11.714 -13.446 -2.850 1.00 71.03 C ATOM 585 OE1 GLU A 749 12.279 -12.356 -2.999 1.00 1.01 O ATOM 586 OE2 GLU A 749 12.071 -14.465 -3.433 1.00 23.35 O ATOM 0 H GLU A 749 13.150 -14.604 -1.642 1.00 52.52 H new ATOM 0 HA GLU A 749 11.765 -15.395 0.796 1.00 73.44 H new ATOM 0 HB2 GLU A 749 10.046 -13.861 0.144 1.00 72.34 H new ATOM 0 HB3 GLU A 749 11.589 -13.068 -0.103 1.00 72.34 H new ATOM 0 HG2 GLU A 749 9.855 -14.297 -2.277 1.00 24.04 H new ATOM 0 HG3 GLU A 749 10.006 -12.586 -1.927 1.00 24.04 H new ATOM 593 N ALA A 750 11.033 -16.625 -2.178 1.00 41.35 N ATOM 594 CA ALA A 750 10.323 -17.692 -2.894 1.00 43.01 C ATOM 595 C ALA A 750 10.889 -19.071 -2.559 1.00 0.11 C ATOM 596 O ALA A 750 10.325 -20.098 -2.952 1.00 14.11 O ATOM 597 CB ALA A 750 10.368 -17.450 -4.397 1.00 2.32 C ATOM 0 H ALA A 750 11.666 -16.083 -2.766 1.00 41.35 H new ATOM 0 HA ALA A 750 9.284 -17.672 -2.565 1.00 43.01 H new ATOM 0 HB1 ALA A 750 9.837 -18.251 -4.911 1.00 2.32 H new ATOM 0 HB2 ALA A 750 9.894 -16.495 -4.626 1.00 2.32 H new ATOM 0 HB3 ALA A 750 11.405 -17.430 -4.731 1.00 2.32 H new ATOM 603 N THR A 751 11.995 -19.090 -1.841 1.00 12.43 N ATOM 604 CA THR A 751 12.646 -20.328 -1.458 1.00 11.55 C ATOM 605 C THR A 751 11.715 -21.189 -0.569 1.00 22.44 C ATOM 606 O THR A 751 11.821 -22.415 -0.543 1.00 54.35 O ATOM 607 CB THR A 751 13.942 -20.037 -0.687 1.00 24.41 C ATOM 608 OG1 THR A 751 14.644 -18.990 -1.334 1.00 24.14 O ATOM 609 CG2 THR A 751 14.828 -21.261 -0.653 1.00 2.31 C ATOM 0 H THR A 751 12.467 -18.250 -1.507 1.00 12.43 H new ATOM 0 HA THR A 751 12.878 -20.876 -2.371 1.00 11.55 H new ATOM 0 HB THR A 751 13.683 -19.753 0.333 1.00 24.41 H new ATOM 0 HG1 THR A 751 15.057 -18.409 -0.662 1.00 24.14 H new ATOM 0 HG21 THR A 751 15.741 -21.034 -0.102 1.00 2.31 H new ATOM 0 HG22 THR A 751 14.301 -22.078 -0.161 1.00 2.31 H new ATOM 0 HG23 THR A 751 15.082 -21.555 -1.671 1.00 2.31 H new ATOM 617 N SER A 752 10.819 -20.529 0.137 1.00 33.03 N ATOM 618 CA SER A 752 9.909 -21.190 1.024 1.00 52.20 C ATOM 619 C SER A 752 8.783 -21.910 0.241 1.00 35.21 C ATOM 620 O SER A 752 8.545 -23.103 0.434 1.00 64.32 O ATOM 621 CB SER A 752 9.313 -20.170 1.988 1.00 33.44 C ATOM 622 OG SER A 752 10.335 -19.323 2.523 1.00 14.01 O ATOM 0 H SER A 752 10.709 -19.515 0.105 1.00 33.03 H new ATOM 0 HA SER A 752 10.458 -21.947 1.584 1.00 52.20 H new ATOM 0 HB2 SER A 752 8.567 -19.566 1.471 1.00 33.44 H new ATOM 0 HB3 SER A 752 8.799 -20.686 2.799 1.00 33.44 H new ATOM 0 HG SER A 752 9.933 -18.674 3.138 1.00 14.01 H new ATOM 628 N THR A 753 8.114 -21.173 -0.648 1.00 44.24 N ATOM 629 CA THR A 753 6.984 -21.710 -1.404 1.00 44.13 C ATOM 630 C THR A 753 7.422 -22.821 -2.401 1.00 12.15 C ATOM 631 O THR A 753 6.640 -23.740 -2.712 1.00 35.22 O ATOM 632 CB THR A 753 6.194 -20.570 -2.161 1.00 11.24 C ATOM 633 OG1 THR A 753 5.039 -21.112 -2.816 1.00 62.44 O ATOM 634 CG2 THR A 753 7.079 -19.869 -3.192 1.00 63.30 C ATOM 0 H THR A 753 8.337 -20.201 -0.861 1.00 44.24 H new ATOM 0 HA THR A 753 6.313 -22.163 -0.675 1.00 44.13 H new ATOM 0 HB THR A 753 5.882 -19.838 -1.416 1.00 11.24 H new ATOM 0 HG1 THR A 753 4.559 -20.394 -3.279 1.00 62.44 H new ATOM 0 HG21 THR A 753 6.505 -19.091 -3.695 1.00 63.30 H new ATOM 0 HG22 THR A 753 7.937 -19.421 -2.691 1.00 63.30 H new ATOM 0 HG23 THR A 753 7.427 -20.595 -3.927 1.00 63.30 H new ATOM 642 N PHE A 754 8.650 -22.746 -2.875 1.00 72.24 N ATOM 643 CA PHE A 754 9.152 -23.730 -3.820 1.00 3.14 C ATOM 644 C PHE A 754 10.153 -24.668 -3.149 1.00 62.32 C ATOM 645 O PHE A 754 10.255 -24.709 -1.913 1.00 24.45 O ATOM 646 CB PHE A 754 9.801 -23.051 -5.018 1.00 71.10 C ATOM 647 CG PHE A 754 8.898 -22.133 -5.786 1.00 14.25 C ATOM 648 CD1 PHE A 754 7.639 -22.546 -6.189 1.00 4.14 C ATOM 649 CD2 PHE A 754 9.316 -20.857 -6.115 1.00 42.54 C ATOM 650 CE1 PHE A 754 6.814 -21.701 -6.902 1.00 51.45 C ATOM 651 CE2 PHE A 754 8.498 -20.006 -6.827 1.00 52.13 C ATOM 652 CZ PHE A 754 7.244 -20.428 -7.221 1.00 61.10 C ATOM 0 H PHE A 754 9.318 -22.018 -2.624 1.00 72.24 H new ATOM 0 HA PHE A 754 8.302 -24.317 -4.169 1.00 3.14 H new ATOM 0 HB2 PHE A 754 10.664 -22.483 -4.672 1.00 71.10 H new ATOM 0 HB3 PHE A 754 10.175 -23.819 -5.695 1.00 71.10 H new ATOM 0 HD1 PHE A 754 7.299 -23.541 -5.942 1.00 4.14 H new ATOM 0 HD2 PHE A 754 10.297 -20.522 -5.810 1.00 42.54 H new ATOM 0 HE1 PHE A 754 5.834 -22.034 -7.210 1.00 51.45 H new ATOM 0 HE2 PHE A 754 8.837 -19.011 -7.076 1.00 52.13 H new ATOM 0 HZ PHE A 754 6.600 -19.763 -7.778 1.00 61.10 H new ATOM 662 N THR A 755 10.881 -25.416 -3.954 1.00 1.54 N ATOM 663 CA THR A 755 11.864 -26.335 -3.443 1.00 21.13 C ATOM 664 C THR A 755 13.201 -26.232 -4.235 1.00 12.31 C ATOM 665 O THR A 755 14.284 -26.232 -3.639 1.00 74.31 O ATOM 666 CB THR A 755 11.322 -27.824 -3.425 1.00 74.25 C ATOM 667 OG1 THR A 755 12.351 -28.739 -3.012 1.00 63.53 O ATOM 668 CG2 THR A 755 10.792 -28.235 -4.782 1.00 64.40 C ATOM 0 H THR A 755 10.805 -25.401 -4.971 1.00 1.54 H new ATOM 0 HA THR A 755 12.066 -26.050 -2.410 1.00 21.13 H new ATOM 0 HB THR A 755 10.503 -27.861 -2.707 1.00 74.25 H new ATOM 0 HG1 THR A 755 11.994 -29.652 -3.007 1.00 63.53 H new ATOM 0 HG21 THR A 755 10.428 -29.261 -4.735 1.00 64.40 H new ATOM 0 HG22 THR A 755 9.975 -27.573 -5.069 1.00 64.40 H new ATOM 0 HG23 THR A 755 11.591 -28.167 -5.520 1.00 64.40 H new ATOM 676 N ASN A 756 13.113 -26.123 -5.557 1.00 30.12 N ATOM 677 CA ASN A 756 14.311 -25.995 -6.414 1.00 50.02 C ATOM 678 C ASN A 756 14.030 -25.103 -7.597 1.00 34.35 C ATOM 679 O ASN A 756 13.362 -25.515 -8.554 1.00 44.34 O ATOM 680 CB ASN A 756 14.820 -27.378 -6.906 1.00 34.34 C ATOM 681 CG ASN A 756 15.473 -28.205 -5.811 1.00 33.23 C ATOM 682 OD1 ASN A 756 16.672 -28.082 -5.553 1.00 63.41 O ATOM 683 ND2 ASN A 756 14.709 -29.060 -5.188 1.00 54.23 N ATOM 0 H ASN A 756 12.230 -26.120 -6.068 1.00 30.12 H new ATOM 0 HA ASN A 756 15.094 -25.544 -5.804 1.00 50.02 H new ATOM 0 HB2 ASN A 756 13.983 -27.938 -7.323 1.00 34.34 H new ATOM 0 HB3 ASN A 756 15.537 -27.227 -7.713 1.00 34.34 H new ATOM 0 HD21 ASN A 756 15.100 -29.656 -4.459 1.00 54.23 H new ATOM 0 HD22 ASN A 756 13.721 -29.132 -5.430 1.00 54.23 H new ATOM 690 N ILE A 757 14.513 -23.878 -7.539 1.00 32.24 N ATOM 691 CA ILE A 757 14.292 -22.931 -8.609 1.00 21.23 C ATOM 692 C ILE A 757 15.616 -22.394 -9.114 1.00 22.24 C ATOM 693 O ILE A 757 16.609 -22.339 -8.362 1.00 54.14 O ATOM 694 CB ILE A 757 13.412 -21.700 -8.158 1.00 50.21 C ATOM 695 CG1 ILE A 757 12.423 -22.058 -7.034 1.00 11.41 C ATOM 696 CG2 ILE A 757 12.663 -21.125 -9.338 1.00 60.45 C ATOM 697 CD1 ILE A 757 13.037 -22.107 -5.646 1.00 64.13 C ATOM 0 H ILE A 757 15.062 -23.516 -6.759 1.00 32.24 H new ATOM 0 HA ILE A 757 13.761 -23.473 -9.392 1.00 21.23 H new ATOM 0 HB ILE A 757 14.099 -20.953 -7.760 1.00 50.21 H new ATOM 0 HG12 ILE A 757 11.613 -21.328 -7.034 1.00 11.41 H new ATOM 0 HG13 ILE A 757 11.978 -23.028 -7.255 1.00 11.41 H new ATOM 0 HG21 ILE A 757 12.062 -20.277 -9.009 1.00 60.45 H new ATOM 0 HG22 ILE A 757 13.375 -20.793 -10.094 1.00 60.45 H new ATOM 0 HG23 ILE A 757 12.012 -21.889 -9.763 1.00 60.45 H new ATOM 0 HD11 ILE A 757 12.269 -22.366 -4.917 1.00 64.13 H new ATOM 0 HD12 ILE A 757 13.827 -22.858 -5.624 1.00 64.13 H new ATOM 0 HD13 ILE A 757 13.457 -21.132 -5.399 1.00 64.13 H new ATOM 709 N THR A 758 15.637 -21.992 -10.362 1.00 52.02 N ATOM 710 CA THR A 758 16.806 -21.418 -10.959 1.00 14.32 C ATOM 711 C THR A 758 17.178 -20.073 -10.286 1.00 75.02 C ATOM 712 O THR A 758 18.352 -19.759 -10.115 1.00 51.22 O ATOM 713 CB THR A 758 16.629 -21.240 -12.497 1.00 34.34 C ATOM 714 OG1 THR A 758 17.873 -20.852 -13.103 1.00 65.41 O ATOM 715 CG2 THR A 758 15.555 -20.204 -12.825 1.00 41.52 C ATOM 0 H THR A 758 14.836 -22.057 -10.991 1.00 52.02 H new ATOM 0 HA THR A 758 17.630 -22.113 -10.797 1.00 14.32 H new ATOM 0 HB THR A 758 16.311 -22.201 -12.901 1.00 34.34 H new ATOM 0 HG1 THR A 758 17.747 -20.745 -14.069 1.00 65.41 H new ATOM 0 HG21 THR A 758 15.461 -20.108 -13.907 1.00 41.52 H new ATOM 0 HG22 THR A 758 14.601 -20.523 -12.404 1.00 41.52 H new ATOM 0 HG23 THR A 758 15.836 -19.241 -12.398 1.00 41.52 H new ATOM 723 N TYR A 759 16.168 -19.301 -9.896 1.00 33.10 N ATOM 724 CA TYR A 759 16.405 -18.071 -9.166 1.00 42.10 C ATOM 725 C TYR A 759 16.268 -18.297 -7.706 1.00 75.01 C ATOM 726 O TYR A 759 16.917 -17.633 -6.902 1.00 4.32 O ATOM 727 CB TYR A 759 15.480 -16.946 -9.636 1.00 14.31 C ATOM 728 CG TYR A 759 15.897 -16.331 -10.955 1.00 15.01 C ATOM 729 CD1 TYR A 759 17.072 -15.595 -11.055 1.00 12.11 C ATOM 730 CD2 TYR A 759 15.130 -16.490 -12.092 1.00 32.25 C ATOM 731 CE1 TYR A 759 17.463 -15.035 -12.252 1.00 4.51 C ATOM 732 CE2 TYR A 759 15.516 -15.935 -13.295 1.00 53.14 C ATOM 733 CZ TYR A 759 16.682 -15.209 -13.370 1.00 35.20 C ATOM 734 OH TYR A 759 17.071 -14.659 -14.574 1.00 61.13 O ATOM 0 H TYR A 759 15.185 -19.508 -10.074 1.00 33.10 H new ATOM 0 HA TYR A 759 17.428 -17.755 -9.372 1.00 42.10 H new ATOM 0 HB2 TYR A 759 14.466 -17.336 -9.730 1.00 14.31 H new ATOM 0 HB3 TYR A 759 15.452 -16.167 -8.874 1.00 14.31 H new ATOM 0 HD1 TYR A 759 17.689 -15.460 -10.179 1.00 12.11 H new ATOM 0 HD2 TYR A 759 14.213 -17.058 -12.039 1.00 32.25 H new ATOM 0 HE1 TYR A 759 18.377 -14.463 -12.311 1.00 4.51 H new ATOM 0 HE2 TYR A 759 14.905 -16.070 -14.175 1.00 53.14 H new ATOM 0 HH TYR A 759 16.408 -14.877 -15.262 1.00 61.13 H new ATOM 744 N ARG A 760 15.407 -19.265 -7.350 1.00 10.22 N ATOM 745 CA ARG A 760 15.149 -19.645 -5.954 1.00 73.41 C ATOM 746 C ARG A 760 14.457 -18.514 -5.193 1.00 75.02 C ATOM 747 O ARG A 760 14.186 -18.618 -3.996 1.00 71.32 O ATOM 748 CB ARG A 760 16.441 -20.083 -5.282 1.00 73.23 C ATOM 749 CG ARG A 760 16.269 -20.898 -4.032 1.00 11.55 C ATOM 750 CD ARG A 760 17.552 -21.598 -3.717 1.00 72.32 C ATOM 751 NE ARG A 760 17.491 -22.400 -2.487 1.00 64.31 N ATOM 752 CZ ARG A 760 18.567 -22.964 -1.899 1.00 44.40 C ATOM 753 NH1 ARG A 760 19.773 -22.845 -2.460 1.00 24.14 N ATOM 754 NH2 ARG A 760 18.428 -23.658 -0.768 1.00 71.15 N ATOM 0 H ARG A 760 14.869 -19.807 -8.026 1.00 10.22 H new ATOM 0 HA ARG A 760 14.465 -20.494 -5.942 1.00 73.41 H new ATOM 0 HB2 ARG A 760 17.025 -20.663 -5.997 1.00 73.23 H new ATOM 0 HB3 ARG A 760 17.025 -19.195 -5.040 1.00 73.23 H new ATOM 0 HG2 ARG A 760 15.979 -20.254 -3.202 1.00 11.55 H new ATOM 0 HG3 ARG A 760 15.468 -21.625 -4.166 1.00 11.55 H new ATOM 0 HD2 ARG A 760 17.819 -22.246 -4.552 1.00 72.32 H new ATOM 0 HD3 ARG A 760 18.347 -20.859 -3.621 1.00 72.32 H new ATOM 0 HE ARG A 760 16.579 -22.539 -2.051 1.00 64.31 H new ATOM 0 HH11 ARG A 760 19.881 -22.328 -3.333 1.00 24.14 H new ATOM 0 HH12 ARG A 760 20.586 -23.271 -2.016 1.00 24.14 H new ATOM 0 HH21 ARG A 760 17.506 -23.764 -0.345 1.00 71.15 H new ATOM 0 HH22 ARG A 760 19.244 -24.083 -0.327 1.00 71.15 H new ATOM 768 N GLY A 761 14.155 -17.472 -5.910 1.00 64.24 N ATOM 769 CA GLY A 761 13.536 -16.339 -5.361 1.00 3.45 C ATOM 770 C GLY A 761 13.018 -15.433 -6.434 1.00 11.20 C ATOM 771 O GLY A 761 13.016 -14.227 -6.279 1.00 74.42 O ATOM 0 H GLY A 761 14.342 -17.401 -6.910 1.00 64.24 H new ATOM 0 HA2 GLY A 761 12.715 -16.647 -4.714 1.00 3.45 H new ATOM 0 HA3 GLY A 761 14.248 -15.799 -4.737 1.00 3.45 H new ATOM 775 N THR A 762 12.617 -16.038 -7.557 1.00 51.40 N ATOM 776 CA THR A 762 12.001 -15.318 -8.670 1.00 63.24 C ATOM 777 C THR A 762 10.905 -14.319 -8.175 1.00 12.40 C ATOM 778 O THR A 762 11.129 -13.087 -8.290 1.00 4.40 O ATOM 779 CB THR A 762 11.405 -16.318 -9.738 1.00 12.41 C ATOM 780 OG1 THR A 762 10.664 -15.610 -10.749 1.00 13.30 O ATOM 781 CG2 THR A 762 10.514 -17.373 -9.079 1.00 32.53 C ATOM 782 OXT THR A 762 9.844 -14.775 -7.649 1.00 38.04 O ATOM 0 H THR A 762 12.712 -17.041 -7.717 1.00 51.40 H new ATOM 0 HA THR A 762 12.787 -14.736 -9.151 1.00 63.24 H new ATOM 0 HB THR A 762 12.246 -16.826 -10.210 1.00 12.41 H new ATOM 0 HG1 THR A 762 10.306 -16.249 -11.400 1.00 13.30 H new ATOM 0 HG21 THR A 762 10.120 -18.045 -9.842 1.00 32.53 H new ATOM 0 HG22 THR A 762 11.099 -17.945 -8.359 1.00 32.53 H new ATOM 0 HG23 THR A 762 9.687 -16.882 -8.566 1.00 32.53 H new