USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=14 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 729 LYS NZ :NH3+ 141:sc= 1.27 (180deg=0.847) USER MOD Set 1.2: A 748 LYS NZ :NH3+ -151:sc= 1.34 (180deg=0.398) USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.042) USER MOD Single : A 725 LYS NZ :NH3+ 162:sc= 2.49 (180deg=2.17) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -30:sc= 0.0461 USER MOD Single : A 743 ASN : amide:sc= -0.442 X(o=-0.44,f=-0.67) USER MOD Single : A 744 ASN :FLIP amide:sc= -0.0146 F(o=-1.8!,f=-0.015) USER MOD Single : A 751 THR OG1 : rot 180:sc= -0.781 USER MOD Single : A 752 SER OG : rot 180:sc= 0 USER MOD Single : A 753 THR OG1 : rot -170:sc= -0.563 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0.00557 USER MOD Single : A 756 ASN :FLIP amide:sc= -0.015 F(o=-1,f=-0.015) 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 22:sc= 0.832 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 717 1.492 -4.424 -0.691 1.00 73.54 N ATOM 24 CA LEU A 717 2.368 -5.529 -0.961 1.00 51.04 C ATOM 25 C LEU A 717 2.621 -5.688 -2.452 1.00 42.04 C ATOM 26 O LEU A 717 3.740 -5.953 -2.868 1.00 64.33 O ATOM 27 CB LEU A 717 1.804 -6.812 -0.393 1.00 24.14 C ATOM 28 CG LEU A 717 2.667 -8.047 -0.592 1.00 41.01 C ATOM 29 CD1 LEU A 717 3.842 -8.043 0.369 1.00 75.54 C ATOM 30 CD2 LEU A 717 1.849 -9.308 -0.452 1.00 31.25 C ATOM 0 HA LEU A 717 3.320 -5.315 -0.475 1.00 51.04 H new ATOM 0 HB2 LEU A 717 1.637 -6.674 0.675 1.00 24.14 H new ATOM 0 HB3 LEU A 717 0.830 -6.993 -0.847 1.00 24.14 H new ATOM 0 HG LEU A 717 3.065 -8.023 -1.607 1.00 41.01 H new ATOM 0 HD11 LEU A 717 4.446 -8.936 0.209 1.00 75.54 H new ATOM 0 HD12 LEU A 717 4.452 -7.156 0.195 1.00 75.54 H new ATOM 0 HD13 LEU A 717 3.473 -8.034 1.395 1.00 75.54 H new ATOM 0 HD21 LEU A 717 2.491 -10.176 -0.599 1.00 31.25 H new ATOM 0 HD22 LEU A 717 1.408 -9.347 0.544 1.00 31.25 H new ATOM 0 HD23 LEU A 717 1.056 -9.312 -1.200 1.00 31.25 H new ATOM 42 N LEU A 718 1.581 -5.498 -3.246 1.00 24.53 N ATOM 43 CA LEU A 718 1.668 -5.679 -4.715 1.00 25.24 C ATOM 44 C LEU A 718 2.758 -4.811 -5.302 1.00 24.43 C ATOM 45 O LEU A 718 3.446 -5.202 -6.253 1.00 3.04 O ATOM 46 CB LEU A 718 0.332 -5.333 -5.378 1.00 23.12 C ATOM 47 CG LEU A 718 -0.867 -6.184 -4.977 1.00 3.41 C ATOM 48 CD1 LEU A 718 -2.123 -5.662 -5.643 1.00 61.24 C ATOM 49 CD2 LEU A 718 -0.636 -7.639 -5.345 1.00 65.31 C ATOM 0 H LEU A 718 0.658 -5.218 -2.913 1.00 24.53 H new ATOM 0 HA LEU A 718 1.907 -6.725 -4.907 1.00 25.24 H new ATOM 0 HB2 LEU A 718 0.101 -4.291 -5.156 1.00 23.12 H new ATOM 0 HB3 LEU A 718 0.458 -5.408 -6.458 1.00 23.12 H new ATOM 0 HG LEU A 718 -0.992 -6.121 -3.896 1.00 3.41 H new ATOM 0 HD11 LEU A 718 -2.973 -6.278 -5.349 1.00 61.24 H new ATOM 0 HD12 LEU A 718 -2.297 -4.631 -5.334 1.00 61.24 H new ATOM 0 HD13 LEU A 718 -2.004 -5.701 -6.726 1.00 61.24 H new ATOM 0 HD21 LEU A 718 -1.503 -8.231 -5.051 1.00 65.31 H new ATOM 0 HD22 LEU A 718 -0.488 -7.723 -6.422 1.00 65.31 H new ATOM 0 HD23 LEU A 718 0.249 -8.009 -4.827 1.00 65.31 H new ATOM 61 N ILE A 719 2.919 -3.659 -4.735 1.00 31.13 N ATOM 62 CA ILE A 719 3.878 -2.729 -5.190 1.00 44.30 C ATOM 63 C ILE A 719 5.230 -2.966 -4.514 1.00 15.31 C ATOM 64 O ILE A 719 6.286 -2.770 -5.128 1.00 74.22 O ATOM 65 CB ILE A 719 3.397 -1.273 -4.918 1.00 52.40 C ATOM 66 CG1 ILE A 719 2.074 -0.994 -5.669 1.00 50.53 C ATOM 67 CG2 ILE A 719 4.464 -0.254 -5.306 1.00 23.02 C ATOM 68 CD1 ILE A 719 2.178 -1.125 -7.176 1.00 4.31 C ATOM 0 H ILE A 719 2.376 -3.342 -3.932 1.00 31.13 H new ATOM 0 HA ILE A 719 3.998 -2.868 -6.264 1.00 44.30 H new ATOM 0 HB ILE A 719 3.218 -1.172 -3.848 1.00 52.40 H new ATOM 0 HG12 ILE A 719 1.311 -1.683 -5.307 1.00 50.53 H new ATOM 0 HG13 ILE A 719 1.736 0.013 -5.425 1.00 50.53 H new ATOM 0 HG21 ILE A 719 4.097 0.752 -5.104 1.00 23.02 H new ATOM 0 HG22 ILE A 719 5.368 -0.434 -4.724 1.00 23.02 H new ATOM 0 HG23 ILE A 719 4.691 -0.351 -6.368 1.00 23.02 H new ATOM 0 HD11 ILE A 719 1.209 -0.914 -7.627 1.00 4.31 H new ATOM 0 HD12 ILE A 719 2.916 -0.417 -7.553 1.00 4.31 H new ATOM 0 HD13 ILE A 719 2.484 -2.139 -7.433 1.00 4.31 H new ATOM 80 N THR A 720 5.204 -3.418 -3.258 1.00 10.41 N ATOM 81 CA THR A 720 6.432 -3.568 -2.502 1.00 24.44 C ATOM 82 C THR A 720 7.276 -4.712 -3.035 1.00 64.43 C ATOM 83 O THR A 720 8.499 -4.696 -2.917 1.00 52.31 O ATOM 84 CB THR A 720 6.184 -3.731 -0.970 1.00 74.21 C ATOM 85 OG1 THR A 720 7.379 -3.406 -0.239 1.00 12.43 O ATOM 86 CG2 THR A 720 5.777 -5.147 -0.623 1.00 42.23 C ATOM 0 H THR A 720 4.356 -3.681 -2.756 1.00 10.41 H new ATOM 0 HA THR A 720 6.986 -2.639 -2.637 1.00 24.44 H new ATOM 0 HB THR A 720 5.376 -3.053 -0.696 1.00 74.21 H new ATOM 0 HG1 THR A 720 7.213 -3.510 0.721 1.00 12.43 H new ATOM 0 HG21 THR A 720 5.612 -5.225 0.452 1.00 42.23 H new ATOM 0 HG22 THR A 720 4.858 -5.401 -1.151 1.00 42.23 H new ATOM 0 HG23 THR A 720 6.568 -5.836 -0.920 1.00 42.23 H new ATOM 94 N ILE A 721 6.615 -5.697 -3.645 1.00 54.31 N ATOM 95 CA ILE A 721 7.302 -6.820 -4.239 1.00 13.23 C ATOM 96 C ILE A 721 8.286 -6.344 -5.287 1.00 2.25 C ATOM 97 O ILE A 721 9.345 -6.930 -5.469 1.00 12.24 O ATOM 98 CB ILE A 721 6.311 -7.805 -4.893 1.00 54.22 C ATOM 99 CG1 ILE A 721 5.327 -8.348 -3.854 1.00 44.03 C ATOM 100 CG2 ILE A 721 7.068 -8.951 -5.568 1.00 3.21 C ATOM 101 CD1 ILE A 721 4.282 -9.286 -4.424 1.00 43.42 C ATOM 0 H ILE A 721 5.600 -5.730 -3.735 1.00 54.31 H new ATOM 0 HA ILE A 721 7.834 -7.335 -3.439 1.00 13.23 H new ATOM 0 HB ILE A 721 5.743 -7.270 -5.654 1.00 54.22 H new ATOM 0 HG12 ILE A 721 5.886 -8.872 -3.079 1.00 44.03 H new ATOM 0 HG13 ILE A 721 4.824 -7.510 -3.373 1.00 44.03 H new ATOM 0 HG21 ILE A 721 6.356 -9.638 -6.025 1.00 3.21 H new ATOM 0 HG22 ILE A 721 7.728 -8.548 -6.336 1.00 3.21 H new ATOM 0 HG23 ILE A 721 7.660 -9.484 -4.824 1.00 3.21 H new ATOM 0 HD11 ILE A 721 3.624 -9.627 -3.625 1.00 43.42 H new ATOM 0 HD12 ILE A 721 3.695 -8.762 -5.178 1.00 43.42 H new ATOM 0 HD13 ILE A 721 4.774 -10.145 -4.880 1.00 43.42 H new ATOM 113 N HIS A 722 7.949 -5.263 -5.945 1.00 53.34 N ATOM 114 CA HIS A 722 8.771 -4.751 -6.993 1.00 31.22 C ATOM 115 C HIS A 722 10.108 -4.286 -6.453 1.00 65.40 C ATOM 116 O HIS A 722 11.143 -4.515 -7.066 1.00 13.12 O ATOM 117 CB HIS A 722 8.078 -3.627 -7.732 1.00 30.30 C ATOM 118 CG HIS A 722 8.487 -3.548 -9.148 1.00 15.55 C ATOM 119 ND1 HIS A 722 8.904 -2.400 -9.758 1.00 43.22 N ATOM 120 CD2 HIS A 722 8.530 -4.498 -10.081 1.00 73.44 C ATOM 121 CE1 HIS A 722 9.183 -2.651 -11.008 1.00 63.55 C ATOM 122 NE2 HIS A 722 8.965 -3.922 -11.230 1.00 72.45 N ATOM 0 H HIS A 722 7.103 -4.723 -5.765 1.00 53.34 H new ATOM 0 HA HIS A 722 8.949 -5.562 -7.700 1.00 31.22 H new ATOM 0 HB2 HIS A 722 6.999 -3.770 -7.676 1.00 30.30 H new ATOM 0 HB3 HIS A 722 8.300 -2.681 -7.239 1.00 30.30 H new ATOM 0 HD2 HIS A 722 8.267 -5.537 -9.947 1.00 73.44 H new ATOM 0 HE1 HIS A 722 9.534 -1.933 -11.734 1.00 63.55 H new ATOM 0 HE2 HIS A 722 9.100 -4.401 -12.120 1.00 72.45 H new ATOM 131 N ASP A 723 10.096 -3.661 -5.287 1.00 14.41 N ATOM 132 CA ASP A 723 11.343 -3.194 -4.699 1.00 74.14 C ATOM 133 C ASP A 723 11.987 -4.256 -3.871 1.00 42.30 C ATOM 134 O ASP A 723 13.188 -4.214 -3.627 1.00 64.43 O ATOM 135 CB ASP A 723 11.166 -1.922 -3.901 1.00 73.01 C ATOM 136 CG ASP A 723 10.909 -0.713 -4.783 1.00 11.33 C ATOM 137 OD1 ASP A 723 11.836 -0.299 -5.525 1.00 12.21 O ATOM 138 OD2 ASP A 723 9.789 -0.177 -4.752 1.00 13.42 O ATOM 0 H ASP A 723 9.258 -3.468 -4.739 1.00 14.41 H new ATOM 0 HA ASP A 723 12.008 -2.960 -5.531 1.00 74.14 H new ATOM 0 HB2 ASP A 723 10.334 -2.045 -3.207 1.00 73.01 H new ATOM 0 HB3 ASP A 723 12.059 -1.746 -3.301 1.00 73.01 H new ATOM 143 N ARG A 724 11.203 -5.232 -3.436 1.00 34.51 N ATOM 144 CA ARG A 724 11.770 -6.371 -2.761 1.00 3.12 C ATOM 145 C ARG A 724 12.502 -7.236 -3.780 1.00 41.12 C ATOM 146 O ARG A 724 13.348 -8.044 -3.438 1.00 70.31 O ATOM 147 CB ARG A 724 10.689 -7.191 -2.005 1.00 31.43 C ATOM 148 CG ARG A 724 10.088 -8.336 -2.785 1.00 3.00 C ATOM 149 CD ARG A 724 9.124 -9.120 -1.932 1.00 73.54 C ATOM 150 NE ARG A 724 8.604 -10.301 -2.624 1.00 74.31 N ATOM 151 CZ ARG A 724 7.448 -10.905 -2.311 1.00 2.11 C ATOM 152 NH1 ARG A 724 6.683 -10.415 -1.335 1.00 52.15 N ATOM 153 NH2 ARG A 724 7.064 -12.000 -2.967 1.00 52.44 N ATOM 0 H ARG A 724 10.189 -5.252 -3.540 1.00 34.51 H new ATOM 0 HA ARG A 724 12.475 -6.018 -2.008 1.00 3.12 H new ATOM 0 HB2 ARG A 724 11.130 -7.587 -1.090 1.00 31.43 H new ATOM 0 HB3 ARG A 724 9.887 -6.516 -1.706 1.00 31.43 H new ATOM 0 HG2 ARG A 724 9.572 -7.951 -3.664 1.00 3.00 H new ATOM 0 HG3 ARG A 724 10.881 -8.993 -3.143 1.00 3.00 H new ATOM 0 HD2 ARG A 724 9.624 -9.430 -1.014 1.00 73.54 H new ATOM 0 HD3 ARG A 724 8.293 -8.477 -1.641 1.00 73.54 H new ATOM 0 HE ARG A 724 9.154 -10.688 -3.391 1.00 74.31 H new ATOM 0 HH11 ARG A 724 6.977 -9.581 -0.827 1.00 52.15 H new ATOM 0 HH12 ARG A 724 5.804 -10.874 -1.097 1.00 52.15 H new ATOM 0 HH21 ARG A 724 7.650 -12.381 -3.710 1.00 52.44 H new ATOM 0 HH22 ARG A 724 6.184 -12.457 -2.726 1.00 52.44 H new ATOM 167 N LYS A 725 12.126 -7.089 -5.013 1.00 30.21 N ATOM 168 CA LYS A 725 12.843 -7.665 -6.090 1.00 53.12 C ATOM 169 C LYS A 725 14.031 -6.791 -6.484 1.00 73.52 C ATOM 170 O LYS A 725 15.167 -7.197 -6.354 1.00 5.10 O ATOM 171 CB LYS A 725 11.928 -7.918 -7.278 1.00 62.25 C ATOM 172 CG LYS A 725 12.549 -8.765 -8.371 1.00 71.01 C ATOM 173 CD LYS A 725 11.617 -9.890 -8.779 1.00 32.10 C ATOM 174 CE LYS A 725 11.314 -10.802 -7.598 1.00 54.23 C ATOM 175 NZ LYS A 725 10.357 -11.865 -7.947 1.00 53.43 N ATOM 0 H LYS A 725 11.302 -6.558 -5.295 1.00 30.21 H new ATOM 0 HA LYS A 725 13.233 -8.628 -5.760 1.00 53.12 H new ATOM 0 HB2 LYS A 725 11.020 -8.408 -6.925 1.00 62.25 H new ATOM 0 HB3 LYS A 725 11.629 -6.960 -7.702 1.00 62.25 H new ATOM 0 HG2 LYS A 725 12.774 -8.142 -9.236 1.00 71.01 H new ATOM 0 HG3 LYS A 725 13.495 -9.179 -8.022 1.00 71.01 H new ATOM 0 HD2 LYS A 725 10.688 -9.474 -9.170 1.00 32.10 H new ATOM 0 HD3 LYS A 725 12.070 -10.469 -9.584 1.00 32.10 H new ATOM 0 HE2 LYS A 725 12.241 -11.252 -7.242 1.00 54.23 H new ATOM 0 HE3 LYS A 725 10.912 -10.209 -6.777 1.00 54.23 H new ATOM 0 HZ1 LYS A 725 10.408 -12.624 -7.238 1.00 53.43 H new ATOM 0 HZ2 LYS A 725 9.394 -11.473 -7.965 1.00 53.43 H new ATOM 0 HZ3 LYS A 725 10.592 -12.250 -8.884 1.00 53.43 H new ATOM 189 N GLU A 726 13.743 -5.574 -6.936 1.00 33.31 N ATOM 190 CA GLU A 726 14.767 -4.704 -7.501 1.00 11.02 C ATOM 191 C GLU A 726 15.734 -4.165 -6.440 1.00 64.34 C ATOM 192 O GLU A 726 16.923 -4.494 -6.454 1.00 4.33 O ATOM 193 CB GLU A 726 14.121 -3.548 -8.256 1.00 74.32 C ATOM 194 CG GLU A 726 15.109 -2.619 -8.931 1.00 11.01 C ATOM 195 CD GLU A 726 14.439 -1.465 -9.592 1.00 40.00 C ATOM 196 OE1 GLU A 726 14.159 -0.477 -8.909 1.00 1.24 O ATOM 197 OE2 GLU A 726 14.178 -1.538 -10.805 1.00 35.34 O ATOM 0 H GLU A 726 12.807 -5.168 -6.922 1.00 33.31 H new ATOM 0 HA GLU A 726 15.353 -5.310 -8.192 1.00 11.02 H new ATOM 0 HB2 GLU A 726 13.446 -3.953 -9.010 1.00 74.32 H new ATOM 0 HB3 GLU A 726 13.512 -2.970 -7.561 1.00 74.32 H new ATOM 0 HG2 GLU A 726 15.820 -2.249 -8.192 1.00 11.01 H new ATOM 0 HG3 GLU A 726 15.681 -3.177 -9.672 1.00 11.01 H new ATOM 204 N PHE A 727 15.217 -3.369 -5.513 1.00 60.34 N ATOM 205 CA PHE A 727 16.058 -2.721 -4.503 1.00 20.24 C ATOM 206 C PHE A 727 16.716 -3.725 -3.614 1.00 2.31 C ATOM 207 O PHE A 727 17.901 -3.603 -3.291 1.00 40.14 O ATOM 208 CB PHE A 727 15.252 -1.729 -3.666 1.00 21.34 C ATOM 209 CG PHE A 727 16.006 -1.187 -2.487 1.00 62.24 C ATOM 210 CD1 PHE A 727 17.155 -0.439 -2.667 1.00 12.12 C ATOM 211 CD2 PHE A 727 15.568 -1.430 -1.203 1.00 25.32 C ATOM 212 CE1 PHE A 727 17.850 0.057 -1.585 1.00 25.31 C ATOM 213 CE2 PHE A 727 16.254 -0.940 -0.119 1.00 51.43 C ATOM 214 CZ PHE A 727 17.399 -0.195 -0.308 1.00 34.22 C ATOM 0 H PHE A 727 14.223 -3.154 -5.436 1.00 60.34 H new ATOM 0 HA PHE A 727 16.835 -2.174 -5.037 1.00 20.24 H new ATOM 0 HB2 PHE A 727 14.941 -0.899 -4.301 1.00 21.34 H new ATOM 0 HB3 PHE A 727 14.344 -2.218 -3.313 1.00 21.34 H new ATOM 0 HD1 PHE A 727 17.512 -0.241 -3.667 1.00 12.12 H new ATOM 0 HD2 PHE A 727 14.673 -2.014 -1.047 1.00 25.32 H new ATOM 0 HE1 PHE A 727 18.745 0.641 -1.738 1.00 25.31 H new ATOM 0 HE2 PHE A 727 15.897 -1.138 0.881 1.00 51.43 H new ATOM 0 HZ PHE A 727 17.941 0.190 0.543 1.00 34.22 H new ATOM 224 N ALA A 728 15.970 -4.714 -3.222 1.00 44.32 N ATOM 225 CA ALA A 728 16.484 -5.729 -2.378 1.00 31.42 C ATOM 226 C ALA A 728 17.606 -6.447 -3.031 1.00 41.34 C ATOM 227 O ALA A 728 18.596 -6.698 -2.417 1.00 51.13 O ATOM 228 CB ALA A 728 15.432 -6.675 -1.994 1.00 71.22 C ATOM 0 H ALA A 728 14.991 -4.832 -3.482 1.00 44.32 H new ATOM 0 HA ALA A 728 16.862 -5.248 -1.476 1.00 31.42 H new ATOM 0 HB1 ALA A 728 15.853 -7.444 -1.346 1.00 71.22 H new ATOM 0 HB2 ALA A 728 14.642 -6.145 -1.462 1.00 71.22 H new ATOM 0 HB3 ALA A 728 15.017 -7.141 -2.888 1.00 71.22 H new ATOM 234 N LYS A 729 17.452 -6.769 -4.318 1.00 74.13 N ATOM 235 CA LYS A 729 18.508 -7.453 -5.038 1.00 20.41 C ATOM 236 C LYS A 729 19.818 -6.658 -5.022 1.00 72.53 C ATOM 237 O LYS A 729 20.905 -7.233 -5.109 1.00 63.32 O ATOM 238 CB LYS A 729 18.095 -7.794 -6.469 1.00 71.42 C ATOM 239 CG LYS A 729 19.097 -8.683 -7.247 1.00 71.31 C ATOM 240 CD LYS A 729 19.246 -10.092 -6.619 1.00 41.24 C ATOM 241 CE LYS A 729 20.242 -10.114 -5.456 1.00 63.13 C ATOM 242 NZ LYS A 729 20.346 -11.449 -4.835 1.00 2.41 N ATOM 0 H LYS A 729 16.617 -6.567 -4.868 1.00 74.13 H new ATOM 0 HA LYS A 729 18.684 -8.392 -4.513 1.00 20.41 H new ATOM 0 HB2 LYS A 729 17.130 -8.300 -6.442 1.00 71.42 H new ATOM 0 HB3 LYS A 729 17.953 -6.865 -7.021 1.00 71.42 H new ATOM 0 HG2 LYS A 729 18.765 -8.782 -8.280 1.00 71.31 H new ATOM 0 HG3 LYS A 729 20.071 -8.194 -7.271 1.00 71.31 H new ATOM 0 HD2 LYS A 729 18.273 -10.434 -6.266 1.00 41.24 H new ATOM 0 HD3 LYS A 729 19.572 -10.795 -7.385 1.00 41.24 H new ATOM 0 HE2 LYS A 729 21.224 -9.805 -5.815 1.00 63.13 H new ATOM 0 HE3 LYS A 729 19.935 -9.388 -4.703 1.00 63.13 H new ATOM 0 HZ1 LYS A 729 21.338 -11.640 -4.586 1.00 2.41 H new ATOM 0 HZ2 LYS A 729 19.762 -11.478 -3.975 1.00 2.41 H new ATOM 0 HZ3 LYS A 729 20.012 -12.171 -5.505 1.00 2.41 H new ATOM 256 N PHE A 730 19.714 -5.368 -4.901 1.00 55.04 N ATOM 257 CA PHE A 730 20.874 -4.544 -4.825 1.00 63.12 C ATOM 258 C PHE A 730 21.571 -4.775 -3.526 1.00 22.14 C ATOM 259 O PHE A 730 22.738 -5.127 -3.489 1.00 1.14 O ATOM 260 CB PHE A 730 20.484 -3.090 -4.929 1.00 11.33 C ATOM 261 CG PHE A 730 21.653 -2.153 -5.138 1.00 1.22 C ATOM 262 CD1 PHE A 730 22.152 -1.920 -6.406 1.00 32.15 C ATOM 263 CD2 PHE A 730 22.245 -1.508 -4.060 1.00 64.21 C ATOM 264 CE1 PHE A 730 23.221 -1.066 -6.599 1.00 11.41 C ATOM 265 CE2 PHE A 730 23.313 -0.653 -4.247 1.00 1.24 C ATOM 266 CZ PHE A 730 23.802 -0.432 -5.518 1.00 31.23 C ATOM 0 H PHE A 730 18.828 -4.864 -4.853 1.00 55.04 H new ATOM 0 HA PHE A 730 21.541 -4.798 -5.649 1.00 63.12 H new ATOM 0 HB2 PHE A 730 19.784 -2.971 -5.756 1.00 11.33 H new ATOM 0 HB3 PHE A 730 19.957 -2.800 -4.020 1.00 11.33 H new ATOM 0 HD1 PHE A 730 21.701 -2.411 -7.256 1.00 32.15 H new ATOM 0 HD2 PHE A 730 21.865 -1.677 -3.063 1.00 64.21 H new ATOM 0 HE1 PHE A 730 23.602 -0.894 -7.595 1.00 11.41 H new ATOM 0 HE2 PHE A 730 23.765 -0.158 -3.400 1.00 1.24 H new ATOM 0 HZ PHE A 730 24.638 0.236 -5.668 1.00 31.23 H new ATOM 276 N GLU A 731 20.843 -4.594 -2.468 1.00 22.13 N ATOM 277 CA GLU A 731 21.376 -4.667 -1.147 1.00 71.42 C ATOM 278 C GLU A 731 21.720 -6.124 -0.745 1.00 13.21 C ATOM 279 O GLU A 731 22.636 -6.352 0.029 1.00 30.05 O ATOM 280 CB GLU A 731 20.387 -4.052 -0.164 1.00 5.51 C ATOM 281 CG GLU A 731 19.156 -4.902 0.094 1.00 43.42 C ATOM 282 CD GLU A 731 18.254 -4.332 1.140 1.00 24.34 C ATOM 283 OE1 GLU A 731 18.725 -4.090 2.267 1.00 12.22 O ATOM 284 OE2 GLU A 731 17.053 -4.143 0.857 1.00 21.13 O ATOM 0 H GLU A 731 19.845 -4.388 -2.501 1.00 22.13 H new ATOM 0 HA GLU A 731 22.308 -4.102 -1.122 1.00 71.42 H new ATOM 0 HB2 GLU A 731 20.897 -3.874 0.783 1.00 5.51 H new ATOM 0 HB3 GLU A 731 20.071 -3.080 -0.544 1.00 5.51 H new ATOM 0 HG2 GLU A 731 18.598 -5.013 -0.836 1.00 43.42 H new ATOM 0 HG3 GLU A 731 19.470 -5.900 0.399 1.00 43.42 H new ATOM 291 N GLU A 732 20.966 -7.092 -1.309 1.00 23.31 N ATOM 292 CA GLU A 732 21.108 -8.532 -0.987 1.00 12.35 C ATOM 293 C GLU A 732 22.539 -9.016 -1.058 1.00 33.31 C ATOM 294 O GLU A 732 22.963 -9.807 -0.234 1.00 34.43 O ATOM 295 CB GLU A 732 20.214 -9.381 -1.905 1.00 71.20 C ATOM 296 CG GLU A 732 18.787 -9.565 -1.386 1.00 55.32 C ATOM 297 CD GLU A 732 17.857 -10.227 -2.398 1.00 41.23 C ATOM 298 OE1 GLU A 732 18.316 -11.095 -3.173 1.00 21.21 O ATOM 299 OE2 GLU A 732 16.660 -9.872 -2.425 1.00 13.04 O ATOM 0 H GLU A 732 20.241 -6.899 -2.000 1.00 23.31 H new ATOM 0 HA GLU A 732 20.785 -8.651 0.047 1.00 12.35 H new ATOM 0 HB2 GLU A 732 20.174 -8.914 -2.889 1.00 71.20 H new ATOM 0 HB3 GLU A 732 20.672 -10.362 -2.035 1.00 71.20 H new ATOM 0 HG2 GLU A 732 18.813 -10.168 -0.478 1.00 55.32 H new ATOM 0 HG3 GLU A 732 18.380 -8.592 -1.111 1.00 55.32 H new ATOM 306 N GLU A 733 23.278 -8.533 -2.026 1.00 11.31 N ATOM 307 CA GLU A 733 24.647 -8.976 -2.229 1.00 71.34 C ATOM 308 C GLU A 733 25.526 -8.689 -1.007 1.00 2.30 C ATOM 309 O GLU A 733 26.262 -9.558 -0.549 1.00 10.24 O ATOM 310 CB GLU A 733 25.232 -8.351 -3.477 1.00 2.32 C ATOM 311 CG GLU A 733 24.459 -8.695 -4.724 1.00 24.11 C ATOM 312 CD GLU A 733 25.117 -8.199 -5.972 1.00 14.12 C ATOM 313 OE1 GLU A 733 25.953 -8.936 -6.536 1.00 62.03 O ATOM 314 OE2 GLU A 733 24.800 -7.075 -6.417 1.00 5.12 O ATOM 0 H GLU A 733 22.958 -7.830 -2.692 1.00 11.31 H new ATOM 0 HA GLU A 733 24.625 -10.057 -2.363 1.00 71.34 H new ATOM 0 HB2 GLU A 733 25.256 -7.268 -3.358 1.00 2.32 H new ATOM 0 HB3 GLU A 733 26.264 -8.681 -3.593 1.00 2.32 H new ATOM 0 HG2 GLU A 733 24.342 -9.777 -4.786 1.00 24.11 H new ATOM 0 HG3 GLU A 733 23.458 -8.270 -4.654 1.00 24.11 H new ATOM 321 N ARG A 734 25.443 -7.484 -0.493 1.00 45.23 N ATOM 322 CA ARG A 734 26.194 -7.110 0.688 1.00 2.45 C ATOM 323 C ARG A 734 25.480 -7.619 1.940 1.00 4.33 C ATOM 324 O ARG A 734 26.109 -8.148 2.859 1.00 50.20 O ATOM 325 CB ARG A 734 26.367 -5.570 0.752 1.00 14.30 C ATOM 326 CG ARG A 734 27.624 -5.087 1.499 1.00 73.32 C ATOM 327 CD ARG A 734 27.557 -5.359 2.997 1.00 50.13 C ATOM 328 NE ARG A 734 28.836 -5.086 3.651 1.00 61.41 N ATOM 329 CZ ARG A 734 29.104 -5.315 4.942 1.00 62.25 C ATOM 330 NH1 ARG A 734 28.158 -5.787 5.756 1.00 74.10 N ATOM 331 NH2 ARG A 734 30.319 -5.076 5.412 1.00 22.41 N ATOM 0 H ARG A 734 24.860 -6.740 -0.875 1.00 45.23 H new ATOM 0 HA ARG A 734 27.183 -7.565 0.637 1.00 2.45 H new ATOM 0 HB2 ARG A 734 26.395 -5.180 -0.265 1.00 14.30 H new ATOM 0 HB3 ARG A 734 25.489 -5.140 1.234 1.00 14.30 H new ATOM 0 HG2 ARG A 734 28.502 -5.581 1.083 1.00 73.32 H new ATOM 0 HG3 ARG A 734 27.752 -4.017 1.333 1.00 73.32 H new ATOM 0 HD2 ARG A 734 26.779 -4.741 3.445 1.00 50.13 H new ATOM 0 HD3 ARG A 734 27.275 -6.398 3.167 1.00 50.13 H new ATOM 0 HE ARG A 734 29.582 -4.690 3.079 1.00 61.41 H new ATOM 0 HH11 ARG A 734 27.223 -5.976 5.395 1.00 74.10 H new ATOM 0 HH12 ARG A 734 28.370 -5.959 6.739 1.00 74.10 H new ATOM 0 HH21 ARG A 734 31.045 -4.719 4.791 1.00 22.41 H new ATOM 0 HH22 ARG A 734 30.529 -5.249 6.395 1.00 22.41 H new ATOM 345 N ALA A 735 24.170 -7.468 1.957 1.00 73.42 N ATOM 346 CA ALA A 735 23.362 -7.823 3.111 1.00 33.40 C ATOM 347 C ALA A 735 23.480 -9.286 3.448 1.00 54.14 C ATOM 348 O ALA A 735 23.842 -9.640 4.557 1.00 3.23 O ATOM 349 CB ALA A 735 21.907 -7.440 2.893 1.00 35.30 C ATOM 0 H ALA A 735 23.635 -7.096 1.173 1.00 73.42 H new ATOM 0 HA ALA A 735 23.746 -7.258 3.960 1.00 33.40 H new ATOM 0 HB1 ALA A 735 21.323 -7.716 3.771 1.00 35.30 H new ATOM 0 HB2 ALA A 735 21.834 -6.364 2.732 1.00 35.30 H new ATOM 0 HB3 ALA A 735 21.520 -7.965 2.020 1.00 35.30 H new ATOM 355 N ARG A 736 23.216 -10.130 2.486 1.00 45.43 N ATOM 356 CA ARG A 736 23.204 -11.561 2.719 1.00 11.51 C ATOM 357 C ARG A 736 24.624 -12.105 2.888 1.00 74.13 C ATOM 358 O ARG A 736 24.823 -13.215 3.374 1.00 1.24 O ATOM 359 CB ARG A 736 22.495 -12.279 1.583 1.00 40.23 C ATOM 360 CG ARG A 736 21.998 -13.634 1.959 1.00 0.34 C ATOM 361 CD ARG A 736 21.283 -14.308 0.821 1.00 75.31 C ATOM 362 NE ARG A 736 22.209 -14.865 -0.184 1.00 44.21 N ATOM 363 CZ ARG A 736 22.660 -16.135 -0.167 1.00 0.30 C ATOM 364 NH1 ARG A 736 22.442 -16.907 0.906 1.00 13.12 N ATOM 365 NH2 ARG A 736 23.361 -16.615 -1.200 1.00 23.44 N ATOM 0 H ARG A 736 23.005 -9.855 1.527 1.00 45.43 H new ATOM 0 HA ARG A 736 22.659 -11.745 3.645 1.00 11.51 H new ATOM 0 HB2 ARG A 736 21.654 -11.672 1.247 1.00 40.23 H new ATOM 0 HB3 ARG A 736 23.178 -12.372 0.739 1.00 40.23 H new ATOM 0 HG2 ARG A 736 22.837 -14.253 2.277 1.00 0.34 H new ATOM 0 HG3 ARG A 736 21.324 -13.549 2.811 1.00 0.34 H new ATOM 0 HD2 ARG A 736 20.656 -15.108 1.214 1.00 75.31 H new ATOM 0 HD3 ARG A 736 20.619 -13.591 0.339 1.00 75.31 H new ATOM 0 HE ARG A 736 22.526 -14.253 -0.936 1.00 44.21 H new ATOM 0 HH11 ARG A 736 21.935 -16.533 1.709 1.00 13.12 H new ATOM 0 HH12 ARG A 736 22.783 -17.868 0.920 1.00 13.12 H new ATOM 0 HH21 ARG A 736 23.556 -16.019 -2.005 1.00 23.44 H new ATOM 0 HH22 ARG A 736 23.700 -17.577 -1.183 1.00 23.44 H new ATOM 379 N ALA A 737 25.594 -11.310 2.507 1.00 44.24 N ATOM 380 CA ALA A 737 26.996 -11.702 2.607 1.00 54.02 C ATOM 381 C ALA A 737 27.454 -11.767 4.061 1.00 55.25 C ATOM 382 O ALA A 737 28.330 -12.568 4.418 1.00 1.03 O ATOM 383 CB ALA A 737 27.859 -10.720 1.847 1.00 31.43 C ATOM 0 H ALA A 737 25.445 -10.378 2.120 1.00 44.24 H new ATOM 0 HA ALA A 737 27.098 -12.697 2.173 1.00 54.02 H new ATOM 0 HB1 ALA A 737 28.905 -11.018 1.925 1.00 31.43 H new ATOM 0 HB2 ALA A 737 27.562 -10.710 0.798 1.00 31.43 H new ATOM 0 HB3 ALA A 737 27.733 -9.723 2.269 1.00 31.43 H new ATOM 389 N LYS A 738 26.852 -10.945 4.889 1.00 51.32 N ATOM 390 CA LYS A 738 27.284 -10.778 6.264 1.00 11.12 C ATOM 391 C LYS A 738 26.144 -11.031 7.218 1.00 31.41 C ATOM 392 O LYS A 738 26.343 -11.522 8.324 1.00 44.33 O ATOM 393 CB LYS A 738 27.839 -9.348 6.464 1.00 71.20 C ATOM 394 CG LYS A 738 29.072 -8.991 5.592 1.00 72.15 C ATOM 395 CD LYS A 738 30.395 -9.545 6.172 1.00 5.34 C ATOM 396 CE LYS A 738 30.463 -11.061 6.108 1.00 13.24 C ATOM 397 NZ LYS A 738 31.736 -11.581 6.640 1.00 35.12 N ATOM 0 H LYS A 738 26.049 -10.372 4.632 1.00 51.32 H new ATOM 0 HA LYS A 738 28.070 -11.503 6.474 1.00 11.12 H new ATOM 0 HB2 LYS A 738 27.044 -8.634 6.251 1.00 71.20 H new ATOM 0 HB3 LYS A 738 28.107 -9.223 7.513 1.00 71.20 H new ATOM 0 HG2 LYS A 738 28.927 -9.386 4.587 1.00 72.15 H new ATOM 0 HG3 LYS A 738 29.146 -7.907 5.501 1.00 72.15 H new ATOM 0 HD2 LYS A 738 31.235 -9.122 5.621 1.00 5.34 H new ATOM 0 HD3 LYS A 738 30.498 -9.222 7.208 1.00 5.34 H new ATOM 0 HE2 LYS A 738 29.634 -11.485 6.674 1.00 13.24 H new ATOM 0 HE3 LYS A 738 30.343 -11.386 5.074 1.00 13.24 H new ATOM 0 HZ1 LYS A 738 31.740 -12.619 6.577 1.00 35.12 H new ATOM 0 HZ2 LYS A 738 32.527 -11.197 6.084 1.00 35.12 H new ATOM 0 HZ3 LYS A 738 31.840 -11.294 7.634 1.00 35.12 H new ATOM 411 N TRP A 739 24.945 -10.706 6.779 1.00 53.34 N ATOM 412 CA TRP A 739 23.761 -10.810 7.605 1.00 70.24 C ATOM 413 C TRP A 739 22.679 -11.503 6.853 1.00 12.10 C ATOM 414 O TRP A 739 21.521 -11.047 6.823 1.00 64.15 O ATOM 415 CB TRP A 739 23.306 -9.419 8.043 1.00 12.24 C ATOM 416 CG TRP A 739 24.370 -8.659 8.754 1.00 52.12 C ATOM 417 CD1 TRP A 739 25.456 -8.075 8.191 1.00 1.10 C ATOM 418 CD2 TRP A 739 24.453 -8.398 10.150 1.00 22.24 C ATOM 419 NE1 TRP A 739 26.232 -7.511 9.132 1.00 22.15 N ATOM 420 CE2 TRP A 739 25.634 -7.671 10.358 1.00 71.54 C ATOM 421 CE3 TRP A 739 23.649 -8.711 11.247 1.00 34.12 C ATOM 422 CZ2 TRP A 739 26.037 -7.250 11.618 1.00 52.45 C ATOM 423 CZ3 TRP A 739 24.046 -8.291 12.498 1.00 34.52 C ATOM 424 CH2 TRP A 739 25.230 -7.567 12.675 1.00 33.32 C ATOM 0 H TRP A 739 24.765 -10.361 5.836 1.00 53.34 H new ATOM 0 HA TRP A 739 23.994 -11.393 8.496 1.00 70.24 H new ATOM 0 HB2 TRP A 739 22.987 -8.854 7.167 1.00 12.24 H new ATOM 0 HB3 TRP A 739 22.438 -9.515 8.695 1.00 12.24 H new ATOM 0 HD1 TRP A 739 25.668 -8.064 7.132 1.00 1.10 H new ATOM 0 HE1 TRP A 739 27.121 -7.040 8.963 1.00 22.15 H new ATOM 0 HE3 TRP A 739 22.734 -9.271 11.118 1.00 34.12 H new ATOM 0 HZ2 TRP A 739 26.952 -6.694 11.758 1.00 52.45 H new ATOM 0 HZ3 TRP A 739 23.433 -8.525 13.356 1.00 34.52 H new ATOM 0 HH2 TRP A 739 25.513 -7.252 13.668 1.00 33.32 H new ATOM 435 N ASP A 740 23.056 -12.598 6.227 1.00 75.02 N ATOM 436 CA ASP A 740 22.120 -13.509 5.523 1.00 44.41 C ATOM 437 C ASP A 740 20.834 -13.703 6.307 1.00 25.22 C ATOM 438 O ASP A 740 19.744 -13.469 5.796 1.00 12.23 O ATOM 439 CB ASP A 740 22.799 -14.886 5.306 1.00 41.11 C ATOM 440 CG ASP A 740 21.857 -15.957 4.737 1.00 41.24 C ATOM 441 OD1 ASP A 740 21.050 -16.519 5.508 1.00 64.30 O ATOM 442 OD2 ASP A 740 21.949 -16.257 3.533 1.00 51.14 O ATOM 0 H ASP A 740 24.029 -12.902 6.181 1.00 75.02 H new ATOM 0 HA ASP A 740 21.870 -13.056 4.564 1.00 44.41 H new ATOM 0 HB2 ASP A 740 23.644 -14.762 4.629 1.00 41.11 H new ATOM 0 HB3 ASP A 740 23.201 -15.237 6.257 1.00 41.11 H new ATOM 447 N THR A 741 20.971 -14.086 7.552 1.00 4.23 N ATOM 448 CA THR A 741 19.823 -14.455 8.357 1.00 44.22 C ATOM 449 C THR A 741 19.094 -13.209 8.917 1.00 54.31 C ATOM 450 O THR A 741 17.948 -13.292 9.368 1.00 70.14 O ATOM 451 CB THR A 741 20.232 -15.421 9.525 1.00 14.34 C ATOM 452 OG1 THR A 741 19.069 -16.038 10.087 1.00 3.14 O ATOM 453 CG2 THR A 741 20.989 -14.676 10.618 1.00 51.11 C ATOM 0 H THR A 741 21.867 -14.152 8.035 1.00 4.23 H new ATOM 0 HA THR A 741 19.131 -14.983 7.702 1.00 44.22 H new ATOM 0 HB THR A 741 20.887 -16.186 9.109 1.00 14.34 H new ATOM 0 HG1 THR A 741 18.304 -15.431 10.005 1.00 3.14 H new ATOM 0 HG21 THR A 741 21.259 -15.372 11.413 1.00 51.11 H new ATOM 0 HG22 THR A 741 21.894 -14.236 10.199 1.00 51.11 H new ATOM 0 HG23 THR A 741 20.357 -13.887 11.025 1.00 51.11 H new ATOM 461 N ALA A 742 19.747 -12.073 8.850 1.00 52.22 N ATOM 462 CA ALA A 742 19.215 -10.859 9.432 1.00 61.43 C ATOM 463 C ALA A 742 18.438 -10.037 8.405 1.00 23.12 C ATOM 464 O ALA A 742 17.752 -9.072 8.758 1.00 23.14 O ATOM 465 CB ALA A 742 20.333 -10.035 10.039 1.00 12.02 C ATOM 0 H ALA A 742 20.653 -11.962 8.396 1.00 52.22 H new ATOM 0 HA ALA A 742 18.517 -11.143 10.220 1.00 61.43 H new ATOM 0 HB1 ALA A 742 19.920 -9.125 10.473 1.00 12.02 H new ATOM 0 HB2 ALA A 742 20.831 -10.614 10.816 1.00 12.02 H new ATOM 0 HB3 ALA A 742 21.053 -9.773 9.264 1.00 12.02 H new ATOM 471 N ASN A 743 18.547 -10.418 7.144 1.00 2.51 N ATOM 472 CA ASN A 743 17.871 -9.685 6.059 1.00 30.32 C ATOM 473 C ASN A 743 17.031 -10.603 5.223 1.00 31.12 C ATOM 474 O ASN A 743 15.949 -10.231 4.761 1.00 23.14 O ATOM 475 CB ASN A 743 18.894 -8.975 5.157 1.00 73.22 C ATOM 476 CG ASN A 743 19.684 -7.925 5.882 1.00 71.42 C ATOM 477 OD1 ASN A 743 19.300 -6.758 5.925 1.00 23.32 O ATOM 478 ND2 ASN A 743 20.778 -8.318 6.449 1.00 40.15 N ATOM 0 H ASN A 743 19.091 -11.224 6.836 1.00 2.51 H new ATOM 0 HA ASN A 743 17.225 -8.942 6.527 1.00 30.32 H new ATOM 0 HB2 ASN A 743 19.578 -9.714 4.741 1.00 73.22 H new ATOM 0 HB3 ASN A 743 18.373 -8.515 4.318 1.00 73.22 H new ATOM 0 HD21 ASN A 743 21.358 -7.650 6.956 1.00 40.15 H new ATOM 0 HD22 ASN A 743 21.060 -9.296 6.389 1.00 40.15 H new ATOM 485 N ASN A 744 17.512 -11.792 5.025 1.00 14.45 N ATOM 486 CA ASN A 744 16.860 -12.738 4.165 1.00 65.34 C ATOM 487 C ASN A 744 16.369 -13.919 4.964 1.00 31.52 C ATOM 488 O ASN A 744 16.983 -14.292 5.968 1.00 5.54 O ATOM 489 CB ASN A 744 17.836 -13.208 3.065 1.00 33.21 C ATOM 490 CG ASN A 744 18.263 -12.081 2.134 1.00 12.14 C ATOM 491 OD1 ASN A 744 17.539 -11.899 1.058 1.00 34.33 O flip ATOM 492 ND2 ASN A 744 19.247 -11.390 2.389 1.00 72.34 N flip ATOM 0 H ASN A 744 18.370 -12.137 5.455 1.00 14.45 H new ATOM 0 HA ASN A 744 16.003 -12.255 3.696 1.00 65.34 H new ATOM 0 HB2 ASN A 744 18.720 -13.642 3.532 1.00 33.21 H new ATOM 0 HB3 ASN A 744 17.364 -13.997 2.480 1.00 33.21 H new ATOM 0 HD21 ASN A 744 19.786 -11.563 3.238 1.00 72.34 H new ATOM 0 HD22 ASN A 744 19.525 -10.644 1.752 1.00 72.34 H new ATOM 499 N PRO A 745 15.235 -14.527 4.553 1.00 73.20 N ATOM 500 CA PRO A 745 14.681 -15.705 5.233 1.00 72.22 C ATOM 501 C PRO A 745 15.556 -16.930 5.013 1.00 42.13 C ATOM 502 O PRO A 745 15.591 -17.845 5.838 1.00 54.44 O ATOM 503 CB PRO A 745 13.310 -15.892 4.564 1.00 45.22 C ATOM 504 CG PRO A 745 13.445 -15.251 3.225 1.00 14.52 C ATOM 505 CD PRO A 745 14.397 -14.100 3.406 1.00 70.34 C ATOM 0 HA PRO A 745 14.619 -15.576 6.314 1.00 72.22 H new ATOM 0 HB2 PRO A 745 13.056 -16.948 4.472 1.00 45.22 H new ATOM 0 HB3 PRO A 745 12.518 -15.423 5.148 1.00 45.22 H new ATOM 0 HG2 PRO A 745 13.827 -15.960 2.490 1.00 14.52 H new ATOM 0 HG3 PRO A 745 12.478 -14.903 2.860 1.00 14.52 H new ATOM 0 HD2 PRO A 745 14.996 -13.929 2.512 1.00 70.34 H new ATOM 0 HD3 PRO A 745 13.869 -13.170 3.618 1.00 70.34 H new ATOM 513 N LEU A 746 16.263 -16.922 3.906 1.00 3.24 N ATOM 514 CA LEU A 746 17.170 -17.975 3.538 1.00 52.31 C ATOM 515 C LEU A 746 18.002 -17.527 2.392 1.00 14.34 C ATOM 516 O LEU A 746 19.204 -17.771 2.347 1.00 40.14 O ATOM 517 CB LEU A 746 16.406 -19.255 3.167 1.00 53.21 C ATOM 518 CG LEU A 746 17.258 -20.429 2.663 1.00 43.32 C ATOM 519 CD1 LEU A 746 18.232 -20.881 3.729 1.00 12.50 C ATOM 520 CD2 LEU A 746 16.379 -21.577 2.233 1.00 1.41 C ATOM 0 H LEU A 746 16.220 -16.165 3.224 1.00 3.24 H new ATOM 0 HA LEU A 746 17.810 -18.201 4.391 1.00 52.31 H new ATOM 0 HB2 LEU A 746 15.848 -19.587 4.042 1.00 53.21 H new ATOM 0 HB3 LEU A 746 15.675 -19.007 2.398 1.00 53.21 H new ATOM 0 HG LEU A 746 17.829 -20.088 1.799 1.00 43.32 H new ATOM 0 HD11 LEU A 746 18.825 -21.713 3.350 1.00 12.50 H new ATOM 0 HD12 LEU A 746 18.893 -20.055 3.992 1.00 12.50 H new ATOM 0 HD13 LEU A 746 17.681 -21.201 4.613 1.00 12.50 H new ATOM 0 HD21 LEU A 746 17.001 -22.399 1.879 1.00 1.41 H new ATOM 0 HD22 LEU A 746 15.780 -21.913 3.079 1.00 1.41 H new ATOM 0 HD23 LEU A 746 15.720 -21.249 1.429 1.00 1.41 H new ATOM 556 N LYS A 748 16.077 -16.084 -0.972 1.00 55.41 N ATOM 557 CA LYS A 748 15.166 -15.450 -1.843 1.00 1.14 C ATOM 558 C LYS A 748 13.742 -15.590 -1.306 1.00 65.22 C ATOM 559 O LYS A 748 13.551 -15.981 -0.156 1.00 24.50 O ATOM 560 CB LYS A 748 15.275 -16.101 -3.212 1.00 14.23 C ATOM 561 CG LYS A 748 16.604 -15.880 -3.942 1.00 2.44 C ATOM 562 CD LYS A 748 17.009 -14.405 -3.991 1.00 24.14 C ATOM 563 CE LYS A 748 15.950 -13.542 -4.645 1.00 52.22 C ATOM 564 NZ LYS A 748 16.420 -12.161 -4.835 1.00 23.41 N ATOM 0 HA LYS A 748 15.401 -14.388 -1.917 1.00 1.14 H new ATOM 0 HB2 LYS A 748 15.116 -17.173 -3.099 1.00 14.23 H new ATOM 0 HB3 LYS A 748 14.468 -15.724 -3.840 1.00 14.23 H new ATOM 0 HG2 LYS A 748 17.387 -16.452 -3.445 1.00 2.44 H new ATOM 0 HG3 LYS A 748 16.525 -16.265 -4.959 1.00 2.44 H new ATOM 0 HD2 LYS A 748 17.193 -14.047 -2.978 1.00 24.14 H new ATOM 0 HD3 LYS A 748 17.946 -14.305 -4.539 1.00 24.14 H new ATOM 0 HE2 LYS A 748 15.675 -13.970 -5.609 1.00 52.22 H new ATOM 0 HE3 LYS A 748 15.050 -13.540 -4.030 1.00 52.22 H new ATOM 0 HZ1 LYS A 748 15.609 -11.511 -4.806 1.00 23.41 H new ATOM 0 HZ2 LYS A 748 17.089 -11.915 -4.078 1.00 23.41 H new ATOM 0 HZ3 LYS A 748 16.895 -12.080 -5.756 1.00 23.41 H new ATOM 578 N GLU A 749 12.752 -15.282 -2.134 1.00 55.01 N ATOM 579 CA GLU A 749 11.359 -15.356 -1.703 1.00 40.10 C ATOM 580 C GLU A 749 10.822 -16.788 -1.787 1.00 2.12 C ATOM 581 O GLU A 749 10.105 -17.231 -0.920 1.00 52.33 O ATOM 582 CB GLU A 749 10.473 -14.405 -2.534 1.00 0.22 C ATOM 583 CG GLU A 749 10.226 -14.863 -3.966 1.00 20.25 C ATOM 584 CD GLU A 749 9.537 -13.830 -4.789 1.00 51.30 C ATOM 585 OE1 GLU A 749 8.320 -13.663 -4.639 1.00 60.03 O ATOM 586 OE2 GLU A 749 10.212 -13.165 -5.596 1.00 73.42 O ATOM 0 H GLU A 749 12.884 -14.981 -3.100 1.00 55.01 H new ATOM 0 HA GLU A 749 11.325 -15.042 -0.660 1.00 40.10 H new ATOM 0 HB2 GLU A 749 9.513 -14.291 -2.031 1.00 0.22 H new ATOM 0 HB3 GLU A 749 10.940 -13.420 -2.556 1.00 0.22 H new ATOM 0 HG2 GLU A 749 11.178 -15.117 -4.431 1.00 20.25 H new ATOM 0 HG3 GLU A 749 9.625 -15.772 -3.954 1.00 20.25 H new ATOM 593 N ALA A 750 11.198 -17.495 -2.834 1.00 11.51 N ATOM 594 CA ALA A 750 10.690 -18.834 -3.092 1.00 10.52 C ATOM 595 C ALA A 750 11.656 -19.892 -2.615 1.00 64.13 C ATOM 596 O ALA A 750 11.374 -21.080 -2.701 1.00 70.22 O ATOM 597 CB ALA A 750 10.360 -19.017 -4.564 1.00 5.11 C ATOM 0 H ALA A 750 11.863 -17.161 -3.531 1.00 11.51 H new ATOM 0 HA ALA A 750 9.768 -18.952 -2.524 1.00 10.52 H new ATOM 0 HB1 ALA A 750 9.982 -20.026 -4.730 1.00 5.11 H new ATOM 0 HB2 ALA A 750 9.601 -18.293 -4.860 1.00 5.11 H new ATOM 0 HB3 ALA A 750 11.259 -18.864 -5.160 1.00 5.11 H new ATOM 603 N THR A 751 12.815 -19.445 -2.142 1.00 40.40 N ATOM 604 CA THR A 751 13.900 -20.328 -1.704 1.00 75.52 C ATOM 605 C THR A 751 13.400 -21.475 -0.747 1.00 51.22 C ATOM 606 O THR A 751 13.871 -22.605 -0.839 1.00 75.24 O ATOM 607 CB THR A 751 15.050 -19.513 -1.022 1.00 74.42 C ATOM 608 OG1 THR A 751 16.171 -20.358 -0.765 1.00 44.10 O ATOM 609 CG2 THR A 751 14.582 -18.884 0.275 1.00 70.20 C ATOM 0 H THR A 751 13.033 -18.453 -2.050 1.00 40.40 H new ATOM 0 HA THR A 751 14.290 -20.805 -2.603 1.00 75.52 H new ATOM 0 HB THR A 751 15.344 -18.717 -1.707 1.00 74.42 H new ATOM 0 HG1 THR A 751 16.883 -19.836 -0.340 1.00 44.10 H new ATOM 0 HG21 THR A 751 15.402 -18.325 0.725 1.00 70.20 H new ATOM 0 HG22 THR A 751 13.751 -18.209 0.073 1.00 70.20 H new ATOM 0 HG23 THR A 751 14.256 -19.665 0.961 1.00 70.20 H new ATOM 617 N SER A 752 12.464 -21.157 0.147 1.00 15.54 N ATOM 618 CA SER A 752 11.881 -22.155 1.030 1.00 22.51 C ATOM 619 C SER A 752 10.464 -22.507 0.591 1.00 41.15 C ATOM 620 O SER A 752 9.872 -23.482 1.070 1.00 64.34 O ATOM 621 CB SER A 752 11.879 -21.659 2.466 1.00 14.10 C ATOM 622 OG SER A 752 13.200 -21.387 2.904 1.00 3.41 O ATOM 0 H SER A 752 12.096 -20.214 0.275 1.00 15.54 H new ATOM 0 HA SER A 752 12.492 -23.056 0.972 1.00 22.51 H new ATOM 0 HB2 SER A 752 11.272 -20.757 2.544 1.00 14.10 H new ATOM 0 HB3 SER A 752 11.423 -22.407 3.114 1.00 14.10 H new ATOM 0 HG SER A 752 13.178 -21.067 3.830 1.00 3.41 H new ATOM 628 N THR A 753 9.934 -21.719 -0.311 1.00 42.35 N ATOM 629 CA THR A 753 8.615 -21.941 -0.854 1.00 43.20 C ATOM 630 C THR A 753 8.614 -23.196 -1.745 1.00 32.24 C ATOM 631 O THR A 753 7.658 -23.978 -1.745 1.00 13.24 O ATOM 632 CB THR A 753 8.170 -20.708 -1.670 1.00 34.31 C ATOM 633 OG1 THR A 753 8.321 -19.534 -0.854 1.00 13.44 O ATOM 634 CG2 THR A 753 6.722 -20.824 -2.110 1.00 63.04 C ATOM 0 H THR A 753 10.408 -20.900 -0.692 1.00 42.35 H new ATOM 0 HA THR A 753 7.914 -22.095 -0.034 1.00 43.20 H new ATOM 0 HB THR A 753 8.791 -20.643 -2.563 1.00 34.31 H new ATOM 0 HG1 THR A 753 7.898 -18.770 -1.298 1.00 13.44 H new ATOM 0 HG21 THR A 753 6.443 -19.939 -2.682 1.00 63.04 H new ATOM 0 HG22 THR A 753 6.601 -21.711 -2.732 1.00 63.04 H new ATOM 0 HG23 THR A 753 6.081 -20.906 -1.233 1.00 63.04 H new ATOM 642 N PHE A 754 9.694 -23.382 -2.477 1.00 11.42 N ATOM 643 CA PHE A 754 9.877 -24.565 -3.287 1.00 22.41 C ATOM 644 C PHE A 754 11.170 -25.247 -2.905 1.00 41.32 C ATOM 645 O PHE A 754 11.859 -24.807 -1.968 1.00 52.24 O ATOM 646 CB PHE A 754 9.884 -24.215 -4.778 1.00 62.44 C ATOM 647 CG PHE A 754 8.630 -23.556 -5.254 1.00 33.10 C ATOM 648 CD1 PHE A 754 7.468 -24.288 -5.425 1.00 12.43 C ATOM 649 CD2 PHE A 754 8.611 -22.203 -5.533 1.00 53.41 C ATOM 650 CE1 PHE A 754 6.309 -23.682 -5.862 1.00 61.11 C ATOM 651 CE2 PHE A 754 7.457 -21.588 -5.971 1.00 45.25 C ATOM 652 CZ PHE A 754 6.303 -22.330 -6.138 1.00 13.23 C ATOM 0 H PHE A 754 10.467 -22.718 -2.526 1.00 11.42 H new ATOM 0 HA PHE A 754 9.043 -25.242 -3.105 1.00 22.41 H new ATOM 0 HB2 PHE A 754 10.728 -23.556 -4.982 1.00 62.44 H new ATOM 0 HB3 PHE A 754 10.044 -25.126 -5.354 1.00 62.44 H new ATOM 0 HD1 PHE A 754 7.469 -25.347 -5.214 1.00 12.43 H new ATOM 0 HD2 PHE A 754 9.511 -21.620 -5.407 1.00 53.41 H new ATOM 0 HE1 PHE A 754 5.408 -24.264 -5.988 1.00 61.11 H new ATOM 0 HE2 PHE A 754 7.455 -20.529 -6.183 1.00 45.25 H new ATOM 0 HZ PHE A 754 5.398 -21.853 -6.484 1.00 13.23 H new ATOM 662 N THR A 755 11.511 -26.294 -3.606 1.00 20.22 N ATOM 663 CA THR A 755 12.693 -27.051 -3.295 1.00 15.23 C ATOM 664 C THR A 755 13.974 -26.365 -3.821 1.00 33.23 C ATOM 665 O THR A 755 14.838 -25.942 -3.034 1.00 51.03 O ATOM 666 CB THR A 755 12.599 -28.503 -3.839 1.00 11.31 C ATOM 667 OG1 THR A 755 12.213 -28.486 -5.232 1.00 34.22 O ATOM 668 CG2 THR A 755 11.578 -29.306 -3.044 1.00 31.23 C ATOM 0 H THR A 755 10.981 -26.645 -4.404 1.00 20.22 H new ATOM 0 HA THR A 755 12.757 -27.094 -2.208 1.00 15.23 H new ATOM 0 HB THR A 755 13.578 -28.971 -3.737 1.00 11.31 H new ATOM 0 HG1 THR A 755 12.158 -29.405 -5.567 1.00 34.22 H new ATOM 0 HG21 THR A 755 11.526 -30.321 -3.439 1.00 31.23 H new ATOM 0 HG22 THR A 755 11.877 -29.340 -1.996 1.00 31.23 H new ATOM 0 HG23 THR A 755 10.599 -28.833 -3.127 1.00 31.23 H new ATOM 676 N ASN A 756 14.076 -26.230 -5.128 1.00 73.40 N ATOM 677 CA ASN A 756 15.278 -25.687 -5.757 1.00 73.13 C ATOM 678 C ASN A 756 14.980 -25.258 -7.178 1.00 24.41 C ATOM 679 O ASN A 756 14.949 -26.082 -8.088 1.00 2.02 O ATOM 680 CB ASN A 756 16.415 -26.742 -5.755 1.00 62.05 C ATOM 681 CG ASN A 756 17.720 -26.222 -6.350 1.00 13.34 C ATOM 682 OD1 ASN A 756 18.591 -25.748 -5.518 1.00 33.20 O flip ATOM 683 ND2 ASN A 756 17.934 -26.281 -7.559 1.00 40.34 N flip ATOM 0 H ASN A 756 13.339 -26.489 -5.784 1.00 73.40 H new ATOM 0 HA ASN A 756 15.602 -24.818 -5.184 1.00 73.13 H new ATOM 0 HB2 ASN A 756 16.595 -27.070 -4.731 1.00 62.05 H new ATOM 0 HB3 ASN A 756 16.090 -27.617 -6.318 1.00 62.05 H new ATOM 0 HD21 ASN A 756 17.224 -26.661 -8.185 1.00 40.34 H new ATOM 0 HD22 ASN A 756 18.822 -25.950 -7.937 1.00 40.34 H new ATOM 690 N ILE A 757 14.739 -23.984 -7.363 1.00 32.33 N ATOM 691 CA ILE A 757 14.441 -23.459 -8.684 1.00 74.41 C ATOM 692 C ILE A 757 15.661 -22.708 -9.221 1.00 51.53 C ATOM 693 O ILE A 757 16.568 -22.370 -8.455 1.00 50.14 O ATOM 694 CB ILE A 757 13.188 -22.475 -8.688 1.00 11.33 C ATOM 695 CG1 ILE A 757 12.120 -22.890 -7.660 1.00 22.23 C ATOM 696 CG2 ILE A 757 12.563 -22.417 -10.073 1.00 71.24 C ATOM 697 CD1 ILE A 757 12.359 -22.358 -6.262 1.00 24.41 C ATOM 0 H ILE A 757 14.742 -23.286 -6.619 1.00 32.33 H new ATOM 0 HA ILE A 757 14.195 -24.311 -9.318 1.00 74.41 H new ATOM 0 HB ILE A 757 13.558 -21.488 -8.409 1.00 11.33 H new ATOM 0 HG12 ILE A 757 11.146 -22.544 -8.006 1.00 22.23 H new ATOM 0 HG13 ILE A 757 12.076 -23.978 -7.619 1.00 22.23 H new ATOM 0 HG21 ILE A 757 11.708 -21.741 -10.059 1.00 71.24 H new ATOM 0 HG22 ILE A 757 13.300 -22.055 -10.790 1.00 71.24 H new ATOM 0 HG23 ILE A 757 12.232 -23.414 -10.365 1.00 71.24 H new ATOM 0 HD11 ILE A 757 11.561 -22.697 -5.602 1.00 24.41 H new ATOM 0 HD12 ILE A 757 13.316 -22.725 -5.892 1.00 24.41 H new ATOM 0 HD13 ILE A 757 12.372 -21.268 -6.285 1.00 24.41 H new ATOM 709 N THR A 758 15.671 -22.448 -10.525 1.00 21.41 N ATOM 710 CA THR A 758 16.764 -21.735 -11.198 1.00 2.21 C ATOM 711 C THR A 758 17.148 -20.414 -10.472 1.00 2.21 C ATOM 712 O THR A 758 18.324 -20.076 -10.371 1.00 72.31 O ATOM 713 CB THR A 758 16.404 -21.439 -12.697 1.00 11.54 C ATOM 714 OG1 THR A 758 17.457 -20.694 -13.334 1.00 55.42 O ATOM 715 CG2 THR A 758 15.090 -20.662 -12.808 1.00 64.14 C ATOM 0 H THR A 758 14.917 -22.726 -11.153 1.00 21.41 H new ATOM 0 HA THR A 758 17.631 -22.394 -11.162 1.00 2.21 H new ATOM 0 HB THR A 758 16.286 -22.398 -13.201 1.00 11.54 H new ATOM 0 HG1 THR A 758 17.216 -20.520 -14.268 1.00 55.42 H new ATOM 0 HG21 THR A 758 14.867 -20.472 -13.858 1.00 64.14 H new ATOM 0 HG22 THR A 758 14.283 -21.247 -12.366 1.00 64.14 H new ATOM 0 HG23 THR A 758 15.182 -19.713 -12.279 1.00 64.14 H new ATOM 723 N TYR A 759 16.155 -19.693 -9.977 1.00 21.45 N ATOM 724 CA TYR A 759 16.413 -18.446 -9.253 1.00 72.52 C ATOM 725 C TYR A 759 15.876 -18.495 -7.836 1.00 2.01 C ATOM 726 O TYR A 759 16.241 -17.672 -7.002 1.00 65.12 O ATOM 727 CB TYR A 759 15.821 -17.249 -9.999 1.00 1.11 C ATOM 728 CG TYR A 759 16.540 -16.912 -11.287 1.00 1.30 C ATOM 729 CD1 TYR A 759 17.752 -16.243 -11.267 1.00 13.20 C ATOM 730 CD2 TYR A 759 16.011 -17.266 -12.518 1.00 54.42 C ATOM 731 CE1 TYR A 759 18.418 -15.933 -12.430 1.00 14.13 C ATOM 732 CE2 TYR A 759 16.672 -16.961 -13.692 1.00 43.33 C ATOM 733 CZ TYR A 759 17.876 -16.292 -13.640 1.00 34.32 C ATOM 734 OH TYR A 759 18.547 -15.986 -14.809 1.00 0.24 O ATOM 0 H TYR A 759 15.169 -19.942 -10.059 1.00 21.45 H new ATOM 0 HA TYR A 759 17.495 -18.327 -9.197 1.00 72.52 H new ATOM 0 HB2 TYR A 759 14.774 -17.454 -10.222 1.00 1.11 H new ATOM 0 HB3 TYR A 759 15.843 -16.378 -9.344 1.00 1.11 H new ATOM 0 HD1 TYR A 759 18.183 -15.959 -10.319 1.00 13.20 H new ATOM 0 HD2 TYR A 759 15.067 -17.789 -12.560 1.00 54.42 H new ATOM 0 HE1 TYR A 759 19.362 -15.410 -12.392 1.00 14.13 H new ATOM 0 HE2 TYR A 759 16.248 -17.245 -14.644 1.00 43.33 H new ATOM 0 HH TYR A 759 18.031 -16.309 -15.577 1.00 0.24 H new ATOM 744 N ARG A 760 15.004 -19.467 -7.571 1.00 31.20 N ATOM 745 CA ARG A 760 14.347 -19.609 -6.261 1.00 43.31 C ATOM 746 C ARG A 760 13.545 -18.383 -5.894 1.00 4.01 C ATOM 747 O ARG A 760 13.463 -18.005 -4.726 1.00 75.31 O ATOM 748 CB ARG A 760 15.346 -19.961 -5.156 1.00 20.25 C ATOM 749 CG ARG A 760 15.454 -21.437 -4.877 1.00 73.01 C ATOM 750 CD ARG A 760 16.499 -21.723 -3.814 1.00 50.13 C ATOM 751 NE ARG A 760 16.450 -23.121 -3.340 1.00 11.41 N ATOM 752 CZ ARG A 760 17.536 -23.869 -3.054 1.00 55.23 C ATOM 753 NH1 ARG A 760 18.755 -23.378 -3.237 1.00 51.34 N ATOM 754 NH2 ARG A 760 17.388 -25.104 -2.599 1.00 52.34 N ATOM 0 H ARG A 760 14.731 -20.177 -8.250 1.00 31.20 H new ATOM 0 HA ARG A 760 13.650 -20.442 -6.353 1.00 43.31 H new ATOM 0 HB2 ARG A 760 16.329 -19.581 -5.434 1.00 20.25 H new ATOM 0 HB3 ARG A 760 15.054 -19.449 -4.239 1.00 20.25 H new ATOM 0 HG2 ARG A 760 14.487 -21.819 -4.551 1.00 73.01 H new ATOM 0 HG3 ARG A 760 15.712 -21.965 -5.795 1.00 73.01 H new ATOM 0 HD2 ARG A 760 17.490 -21.513 -4.216 1.00 50.13 H new ATOM 0 HD3 ARG A 760 16.349 -21.050 -2.970 1.00 50.13 H new ATOM 0 HE ARG A 760 15.532 -23.550 -3.221 1.00 11.41 H new ATOM 0 HH11 ARG A 760 18.875 -22.431 -3.596 1.00 51.34 H new ATOM 0 HH12 ARG A 760 19.572 -23.948 -3.019 1.00 51.34 H new ATOM 0 HH21 ARG A 760 16.453 -25.489 -2.465 1.00 52.34 H new ATOM 0 HH22 ARG A 760 18.209 -25.670 -2.383 1.00 52.34 H new ATOM 768 N GLY A 761 12.927 -17.797 -6.866 1.00 33.31 N ATOM 769 CA GLY A 761 12.149 -16.632 -6.620 1.00 62.45 C ATOM 770 C GLY A 761 11.827 -15.885 -7.876 1.00 72.33 C ATOM 771 O GLY A 761 10.790 -15.237 -7.967 1.00 50.32 O ATOM 0 H GLY A 761 12.947 -18.107 -7.838 1.00 33.31 H new ATOM 0 HA2 GLY A 761 11.222 -16.916 -6.122 1.00 62.45 H new ATOM 0 HA3 GLY A 761 12.689 -15.975 -5.938 1.00 62.45 H new ATOM 775 N THR A 762 12.722 -15.987 -8.857 1.00 2.41 N ATOM 776 CA THR A 762 12.582 -15.309 -10.167 1.00 12.11 C ATOM 777 C THR A 762 12.297 -13.792 -10.020 1.00 64.12 C ATOM 778 O THR A 762 11.110 -13.394 -10.025 1.00 1.14 O ATOM 779 CB THR A 762 11.515 -16.002 -11.108 1.00 43.51 C ATOM 780 OG1 THR A 762 10.256 -16.153 -10.427 1.00 41.10 O ATOM 781 CG2 THR A 762 12.009 -17.363 -11.549 1.00 73.22 C ATOM 782 OXT THR A 762 13.265 -13.020 -9.883 1.00 37.33 O ATOM 0 H THR A 762 13.573 -16.543 -8.776 1.00 2.41 H new ATOM 0 HA THR A 762 13.551 -15.414 -10.655 1.00 12.11 H new ATOM 0 HB THR A 762 11.373 -15.365 -11.981 1.00 43.51 H new ATOM 0 HG1 THR A 762 10.207 -15.515 -9.685 1.00 41.10 H new ATOM 0 HG21 THR A 762 11.265 -17.828 -12.196 1.00 73.22 H new ATOM 0 HG22 THR A 762 12.945 -17.251 -12.095 1.00 73.22 H new ATOM 0 HG23 THR A 762 12.173 -17.992 -10.674 1.00 73.22 H new