USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=10 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 751 THR OG1 : rot -121:sc= 0.984 USER MOD Set 1.2: A 752 SER OG : rot -140:sc= 0 USER MOD Single : A 720 THR OG1 : rot 180:sc= 0 USER MOD Single : A 722 HIS : no HD1:sc= -0.0614 X(o=-0.061,f=0) USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 729 LYS NZ :NH3+ 169:sc= -0.0256 (180deg=-0.192) USER MOD Single : A 738 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -35:sc= 0.0137 USER MOD Single : A 743 ASN : amide:sc= -1.26 X(o=-1.3,f=-1.2) USER MOD Single : A 744 ASN : amide:sc= 1.36 K(o=1.4,f=-1.7) USER MOD Single : A 748 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 753 THR OG1 : rot 94:sc= 1.26 USER MOD Single : A 755 THR OG1 : rot 180:sc= 0.00249 USER MOD Single : A 756 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 758 THR OG1 : rot 180:sc= 0 USER MOD Single : A 759 TYR OH : rot 180:sc= 0 USER MOD Single : A 762 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 717 3.000 -7.685 -2.310 1.00 43.01 N ATOM 24 CA LEU A 717 4.128 -8.593 -2.512 1.00 30.13 C ATOM 25 C LEU A 717 4.342 -8.948 -3.990 1.00 20.14 C ATOM 26 O LEU A 717 5.469 -9.017 -4.450 1.00 54.23 O ATOM 27 CB LEU A 717 3.961 -9.854 -1.690 1.00 61.54 C ATOM 28 CG LEU A 717 5.140 -10.816 -1.719 1.00 13.11 C ATOM 29 CD1 LEU A 717 6.268 -10.315 -0.826 1.00 33.31 C ATOM 30 CD2 LEU A 717 4.714 -12.219 -1.333 1.00 30.41 C ATOM 0 HA LEU A 717 5.018 -8.062 -2.174 1.00 30.13 H new ATOM 0 HB2 LEU A 717 3.772 -9.570 -0.655 1.00 61.54 H new ATOM 0 HB3 LEU A 717 3.075 -10.382 -2.043 1.00 61.54 H new ATOM 0 HG LEU A 717 5.515 -10.858 -2.742 1.00 13.11 H new ATOM 0 HD11 LEU A 717 7.100 -11.018 -0.862 1.00 33.31 H new ATOM 0 HD12 LEU A 717 6.603 -9.338 -1.176 1.00 33.31 H new ATOM 0 HD13 LEU A 717 5.909 -10.230 0.200 1.00 33.31 H new ATOM 0 HD21 LEU A 717 5.578 -12.883 -1.363 1.00 30.41 H new ATOM 0 HD22 LEU A 717 4.299 -12.209 -0.325 1.00 30.41 H new ATOM 0 HD23 LEU A 717 3.958 -12.575 -2.033 1.00 30.41 H new ATOM 42 N LEU A 718 3.252 -9.150 -4.724 1.00 51.51 N ATOM 43 CA LEU A 718 3.339 -9.489 -6.165 1.00 11.23 C ATOM 44 C LEU A 718 4.052 -8.376 -6.959 1.00 22.11 C ATOM 45 O LEU A 718 4.605 -8.616 -8.035 1.00 5.43 O ATOM 46 CB LEU A 718 1.929 -9.761 -6.776 1.00 54.31 C ATOM 47 CG LEU A 718 1.011 -8.530 -7.021 1.00 22.20 C ATOM 48 CD1 LEU A 718 -0.194 -8.928 -7.853 1.00 35.30 C ATOM 49 CD2 LEU A 718 0.557 -7.909 -5.710 1.00 44.43 C ATOM 0 H LEU A 718 2.301 -9.089 -4.361 1.00 51.51 H new ATOM 0 HA LEU A 718 3.928 -10.403 -6.242 1.00 11.23 H new ATOM 0 HB2 LEU A 718 2.067 -10.274 -7.728 1.00 54.31 H new ATOM 0 HB3 LEU A 718 1.402 -10.449 -6.116 1.00 54.31 H new ATOM 0 HG LEU A 718 1.591 -7.785 -7.566 1.00 22.20 H new ATOM 0 HD11 LEU A 718 -0.827 -8.056 -8.016 1.00 35.30 H new ATOM 0 HD12 LEU A 718 0.140 -9.319 -8.814 1.00 35.30 H new ATOM 0 HD13 LEU A 718 -0.762 -9.696 -7.327 1.00 35.30 H new ATOM 0 HD21 LEU A 718 -0.083 -7.051 -5.916 1.00 44.43 H new ATOM 0 HD22 LEU A 718 0.000 -8.646 -5.132 1.00 44.43 H new ATOM 0 HD23 LEU A 718 1.428 -7.584 -5.141 1.00 44.43 H new ATOM 61 N ILE A 719 4.035 -7.181 -6.416 1.00 63.41 N ATOM 62 CA ILE A 719 4.647 -6.042 -7.052 1.00 72.33 C ATOM 63 C ILE A 719 6.005 -5.726 -6.410 1.00 33.21 C ATOM 64 O ILE A 719 6.916 -5.226 -7.075 1.00 11.15 O ATOM 65 CB ILE A 719 3.717 -4.784 -6.964 1.00 60.43 C ATOM 66 CG1 ILE A 719 2.355 -5.072 -7.635 1.00 11.15 C ATOM 67 CG2 ILE A 719 4.381 -3.555 -7.600 1.00 71.43 C ATOM 68 CD1 ILE A 719 2.450 -5.408 -9.117 1.00 34.42 C ATOM 0 H ILE A 719 3.595 -6.973 -5.519 1.00 63.41 H new ATOM 0 HA ILE A 719 4.800 -6.292 -8.102 1.00 72.33 H new ATOM 0 HB ILE A 719 3.548 -4.564 -5.910 1.00 60.43 H new ATOM 0 HG12 ILE A 719 1.875 -5.901 -7.116 1.00 11.15 H new ATOM 0 HG13 ILE A 719 1.710 -4.202 -7.511 1.00 11.15 H new ATOM 0 HG21 ILE A 719 3.711 -2.699 -7.523 1.00 71.43 H new ATOM 0 HG22 ILE A 719 5.313 -3.335 -7.079 1.00 71.43 H new ATOM 0 HG23 ILE A 719 4.592 -3.758 -8.650 1.00 71.43 H new ATOM 0 HD11 ILE A 719 1.452 -5.597 -9.512 1.00 34.42 H new ATOM 0 HD12 ILE A 719 2.900 -4.571 -9.652 1.00 34.42 H new ATOM 0 HD13 ILE A 719 3.067 -6.297 -9.250 1.00 34.42 H new ATOM 80 N THR A 720 6.153 -6.058 -5.114 1.00 22.22 N ATOM 81 CA THR A 720 7.370 -5.742 -4.400 1.00 74.51 C ATOM 82 C THR A 720 8.527 -6.589 -4.918 1.00 43.54 C ATOM 83 O THR A 720 9.669 -6.271 -4.700 1.00 50.42 O ATOM 84 CB THR A 720 7.209 -5.934 -2.861 1.00 25.12 C ATOM 85 OG1 THR A 720 8.187 -5.156 -2.162 1.00 65.13 O ATOM 86 CG2 THR A 720 7.367 -7.394 -2.473 1.00 72.22 C ATOM 0 H THR A 720 5.445 -6.539 -4.559 1.00 22.22 H new ATOM 0 HA THR A 720 7.588 -4.689 -4.580 1.00 74.51 H new ATOM 0 HB THR A 720 6.207 -5.602 -2.587 1.00 25.12 H new ATOM 0 HG1 THR A 720 8.076 -5.282 -1.196 1.00 65.13 H new ATOM 0 HG21 THR A 720 7.250 -7.499 -1.394 1.00 72.22 H new ATOM 0 HG22 THR A 720 6.608 -7.989 -2.980 1.00 72.22 H new ATOM 0 HG23 THR A 720 8.357 -7.743 -2.766 1.00 72.22 H new ATOM 94 N ILE A 721 8.191 -7.675 -5.634 1.00 32.44 N ATOM 95 CA ILE A 721 9.190 -8.534 -6.246 1.00 23.34 C ATOM 96 C ILE A 721 10.062 -7.723 -7.158 1.00 13.23 C ATOM 97 O ILE A 721 11.279 -7.878 -7.174 1.00 30.20 O ATOM 98 CB ILE A 721 8.516 -9.648 -7.092 1.00 33.22 C ATOM 99 CG1 ILE A 721 7.593 -10.510 -6.223 1.00 2.45 C ATOM 100 CG2 ILE A 721 9.574 -10.511 -7.797 1.00 34.43 C ATOM 101 CD1 ILE A 721 6.815 -11.555 -6.998 1.00 4.44 C ATOM 0 H ILE A 721 7.228 -7.970 -5.797 1.00 32.44 H new ATOM 0 HA ILE A 721 9.779 -8.986 -5.448 1.00 23.34 H new ATOM 0 HB ILE A 721 7.905 -9.171 -7.858 1.00 33.22 H new ATOM 0 HG12 ILE A 721 8.191 -11.009 -5.460 1.00 2.45 H new ATOM 0 HG13 ILE A 721 6.890 -9.860 -5.703 1.00 2.45 H new ATOM 0 HG21 ILE A 721 9.080 -11.285 -8.384 1.00 34.43 H new ATOM 0 HG22 ILE A 721 10.175 -9.884 -8.456 1.00 34.43 H new ATOM 0 HG23 ILE A 721 10.219 -10.977 -7.052 1.00 34.43 H new ATOM 0 HD11 ILE A 721 6.186 -12.123 -6.312 1.00 4.44 H new ATOM 0 HD12 ILE A 721 6.189 -11.064 -7.743 1.00 4.44 H new ATOM 0 HD13 ILE A 721 7.510 -12.231 -7.497 1.00 4.44 H new ATOM 113 N HIS A 722 9.436 -6.835 -7.893 1.00 1.32 N ATOM 114 CA HIS A 722 10.110 -6.033 -8.854 1.00 52.43 C ATOM 115 C HIS A 722 11.152 -5.153 -8.195 1.00 22.44 C ATOM 116 O HIS A 722 12.287 -5.062 -8.661 1.00 62.32 O ATOM 117 CB HIS A 722 9.112 -5.182 -9.615 1.00 64.53 C ATOM 118 CG HIS A 722 9.609 -4.753 -10.924 1.00 42.43 C ATOM 119 ND1 HIS A 722 9.656 -3.439 -11.326 1.00 74.03 N ATOM 120 CD2 HIS A 722 10.076 -5.479 -11.947 1.00 45.11 C ATOM 121 CE1 HIS A 722 10.136 -3.374 -12.549 1.00 40.42 C ATOM 122 NE2 HIS A 722 10.402 -4.601 -12.954 1.00 64.41 N ATOM 0 H HIS A 722 8.434 -6.656 -7.831 1.00 1.32 H new ATOM 0 HA HIS A 722 10.620 -6.696 -9.553 1.00 52.43 H new ATOM 0 HB2 HIS A 722 8.189 -5.746 -9.750 1.00 64.53 H new ATOM 0 HB3 HIS A 722 8.864 -4.303 -9.020 1.00 64.53 H new ATOM 0 HD2 HIS A 722 10.178 -6.554 -11.976 1.00 45.11 H new ATOM 0 HE1 HIS A 722 10.286 -2.471 -13.123 1.00 40.42 H new ATOM 0 HE2 HIS A 722 10.786 -4.856 -13.864 1.00 64.41 H new ATOM 131 N ASP A 723 10.783 -4.530 -7.099 1.00 35.23 N ATOM 132 CA ASP A 723 11.692 -3.641 -6.412 1.00 52.31 C ATOM 133 C ASP A 723 12.597 -4.399 -5.479 1.00 13.54 C ATOM 134 O ASP A 723 13.601 -3.887 -5.031 1.00 21.33 O ATOM 135 CB ASP A 723 10.946 -2.539 -5.681 1.00 22.22 C ATOM 136 CG ASP A 723 10.288 -1.568 -6.633 1.00 22.11 C ATOM 137 OD1 ASP A 723 10.977 -0.659 -7.125 1.00 3.33 O ATOM 138 OD2 ASP A 723 9.075 -1.715 -6.901 1.00 1.51 O ATOM 0 H ASP A 723 9.864 -4.622 -6.666 1.00 35.23 H new ATOM 0 HA ASP A 723 12.318 -3.167 -7.168 1.00 52.31 H new ATOM 0 HB2 ASP A 723 10.188 -2.982 -5.035 1.00 22.22 H new ATOM 0 HB3 ASP A 723 11.639 -1.999 -5.036 1.00 22.22 H new ATOM 143 N ARG A 724 12.243 -5.628 -5.202 1.00 40.50 N ATOM 144 CA ARG A 724 13.070 -6.496 -4.413 1.00 4.14 C ATOM 145 C ARG A 724 14.284 -6.928 -5.231 1.00 42.31 C ATOM 146 O ARG A 724 15.324 -7.287 -4.692 1.00 53.32 O ATOM 147 CB ARG A 724 12.268 -7.715 -3.957 1.00 53.33 C ATOM 148 CG ARG A 724 12.901 -8.491 -2.829 1.00 25.23 C ATOM 149 CD ARG A 724 11.971 -9.568 -2.330 1.00 34.32 C ATOM 150 NE ARG A 724 12.457 -10.184 -1.085 1.00 51.12 N ATOM 151 CZ ARG A 724 11.683 -10.884 -0.229 1.00 14.55 C ATOM 152 NH1 ARG A 724 10.400 -11.121 -0.525 1.00 4.34 N ATOM 153 NH2 ARG A 724 12.194 -11.358 0.908 1.00 20.03 N ATOM 0 H ARG A 724 11.372 -6.053 -5.519 1.00 40.50 H new ATOM 0 HA ARG A 724 13.413 -5.961 -3.528 1.00 4.14 H new ATOM 0 HB2 ARG A 724 11.277 -7.386 -3.644 1.00 53.33 H new ATOM 0 HB3 ARG A 724 12.129 -8.382 -4.808 1.00 53.33 H new ATOM 0 HG2 ARG A 724 13.834 -8.940 -3.169 1.00 25.23 H new ATOM 0 HG3 ARG A 724 13.152 -7.814 -2.012 1.00 25.23 H new ATOM 0 HD2 ARG A 724 10.982 -9.143 -2.162 1.00 34.32 H new ATOM 0 HD3 ARG A 724 11.862 -10.336 -3.096 1.00 34.32 H new ATOM 0 HE ARG A 724 13.444 -10.075 -0.854 1.00 51.12 H new ATOM 0 HH11 ARG A 724 10.005 -10.773 -1.399 1.00 4.34 H new ATOM 0 HH12 ARG A 724 9.816 -11.650 0.123 1.00 4.34 H new ATOM 0 HH21 ARG A 724 13.175 -11.192 1.135 1.00 20.03 H new ATOM 0 HH22 ARG A 724 11.604 -11.886 1.551 1.00 20.03 H new ATOM 167 N LYS A 725 14.145 -6.897 -6.512 1.00 32.34 N ATOM 168 CA LYS A 725 15.245 -7.180 -7.372 1.00 14.35 C ATOM 169 C LYS A 725 16.154 -5.971 -7.484 1.00 22.15 C ATOM 170 O LYS A 725 17.367 -6.076 -7.325 1.00 63.23 O ATOM 171 CB LYS A 725 14.768 -7.613 -8.756 1.00 50.04 C ATOM 172 CG LYS A 725 13.761 -8.764 -8.752 1.00 74.15 C ATOM 173 CD LYS A 725 14.265 -9.968 -7.967 1.00 20.40 C ATOM 174 CE LYS A 725 15.610 -10.436 -8.470 1.00 3.34 C ATOM 175 NZ LYS A 725 16.008 -11.693 -7.841 1.00 64.31 N ATOM 0 H LYS A 725 13.272 -6.676 -6.992 1.00 32.34 H new ATOM 0 HA LYS A 725 15.807 -8.005 -6.935 1.00 14.35 H new ATOM 0 HB2 LYS A 725 14.317 -6.755 -9.255 1.00 50.04 H new ATOM 0 HB3 LYS A 725 15.634 -7.908 -9.348 1.00 50.04 H new ATOM 0 HG2 LYS A 725 12.821 -8.420 -8.322 1.00 74.15 H new ATOM 0 HG3 LYS A 725 13.551 -9.064 -9.779 1.00 74.15 H new ATOM 0 HD2 LYS A 725 14.341 -9.709 -6.911 1.00 20.40 H new ATOM 0 HD3 LYS A 725 13.544 -10.782 -8.044 1.00 20.40 H new ATOM 0 HE2 LYS A 725 15.570 -10.565 -9.552 1.00 3.34 H new ATOM 0 HE3 LYS A 725 16.361 -9.673 -8.268 1.00 3.34 H new ATOM 0 HZ1 LYS A 725 16.936 -11.987 -8.208 1.00 64.31 H new ATOM 0 HZ2 LYS A 725 16.069 -11.562 -6.811 1.00 64.31 H new ATOM 0 HZ3 LYS A 725 15.303 -12.427 -8.055 1.00 64.31 H new ATOM 189 N GLU A 726 15.563 -4.834 -7.757 1.00 33.55 N ATOM 190 CA GLU A 726 16.310 -3.610 -7.939 1.00 52.23 C ATOM 191 C GLU A 726 16.806 -3.027 -6.595 1.00 64.21 C ATOM 192 O GLU A 726 18.007 -2.935 -6.356 1.00 73.44 O ATOM 193 CB GLU A 726 15.469 -2.579 -8.702 1.00 44.21 C ATOM 194 CG GLU A 726 16.191 -1.274 -8.991 1.00 42.44 C ATOM 195 CD GLU A 726 15.361 -0.326 -9.813 1.00 31.43 C ATOM 196 OE1 GLU A 726 14.420 0.274 -9.264 1.00 75.15 O ATOM 197 OE2 GLU A 726 15.644 -0.172 -11.026 1.00 11.22 O ATOM 0 H GLU A 726 14.554 -4.729 -7.859 1.00 33.55 H new ATOM 0 HA GLU A 726 17.194 -3.850 -8.530 1.00 52.23 H new ATOM 0 HB2 GLU A 726 15.145 -3.018 -9.646 1.00 44.21 H new ATOM 0 HB3 GLU A 726 14.569 -2.363 -8.126 1.00 44.21 H new ATOM 0 HG2 GLU A 726 16.459 -0.795 -8.049 1.00 42.44 H new ATOM 0 HG3 GLU A 726 17.122 -1.486 -9.517 1.00 42.44 H new ATOM 204 N PHE A 727 15.876 -2.671 -5.732 1.00 21.31 N ATOM 205 CA PHE A 727 16.192 -1.968 -4.492 1.00 14.51 C ATOM 206 C PHE A 727 16.720 -2.899 -3.407 1.00 13.32 C ATOM 207 O PHE A 727 17.726 -2.608 -2.784 1.00 43.42 O ATOM 208 CB PHE A 727 14.969 -1.189 -3.982 1.00 53.33 C ATOM 209 CG PHE A 727 15.157 -0.582 -2.616 1.00 22.00 C ATOM 210 CD1 PHE A 727 16.154 0.352 -2.386 1.00 50.22 C ATOM 211 CD2 PHE A 727 14.330 -0.945 -1.564 1.00 21.13 C ATOM 212 CE1 PHE A 727 16.322 0.908 -1.139 1.00 0.21 C ATOM 213 CE2 PHE A 727 14.495 -0.392 -0.315 1.00 1.22 C ATOM 214 CZ PHE A 727 15.491 0.536 -0.101 1.00 61.40 C ATOM 0 H PHE A 727 14.882 -2.857 -5.864 1.00 21.31 H new ATOM 0 HA PHE A 727 16.991 -1.265 -4.725 1.00 14.51 H new ATOM 0 HB2 PHE A 727 14.734 -0.396 -4.692 1.00 53.33 H new ATOM 0 HB3 PHE A 727 14.109 -1.859 -3.956 1.00 53.33 H new ATOM 0 HD1 PHE A 727 16.806 0.647 -3.195 1.00 50.22 H new ATOM 0 HD2 PHE A 727 13.547 -1.671 -1.727 1.00 21.13 H new ATOM 0 HE1 PHE A 727 17.103 1.635 -0.972 1.00 0.21 H new ATOM 0 HE2 PHE A 727 13.845 -0.685 0.496 1.00 1.22 H new ATOM 0 HZ PHE A 727 15.622 0.972 0.878 1.00 61.40 H new ATOM 224 N ALA A 728 16.035 -4.007 -3.182 1.00 4.12 N ATOM 225 CA ALA A 728 16.434 -4.944 -2.111 1.00 12.21 C ATOM 226 C ALA A 728 17.851 -5.423 -2.296 1.00 73.31 C ATOM 227 O ALA A 728 18.600 -5.524 -1.347 1.00 23.20 O ATOM 228 CB ALA A 728 15.499 -6.107 -2.037 1.00 51.12 C ATOM 0 H ALA A 728 15.210 -4.290 -3.710 1.00 4.12 H new ATOM 0 HA ALA A 728 16.382 -4.398 -1.169 1.00 12.21 H new ATOM 0 HB1 ALA A 728 15.817 -6.780 -1.240 1.00 51.12 H new ATOM 0 HB2 ALA A 728 14.490 -5.750 -1.829 1.00 51.12 H new ATOM 0 HB3 ALA A 728 15.507 -6.641 -2.987 1.00 51.12 H new ATOM 234 N LYS A 729 18.222 -5.699 -3.537 1.00 2.21 N ATOM 235 CA LYS A 729 19.572 -6.135 -3.852 1.00 32.33 C ATOM 236 C LYS A 729 20.621 -5.089 -3.424 1.00 60.12 C ATOM 237 O LYS A 729 21.774 -5.421 -3.181 1.00 40.30 O ATOM 238 CB LYS A 729 19.699 -6.457 -5.350 1.00 4.45 C ATOM 239 CG LYS A 729 21.093 -6.916 -5.796 1.00 70.14 C ATOM 240 CD LYS A 729 21.577 -8.127 -4.999 1.00 61.42 C ATOM 241 CE LYS A 729 20.666 -9.324 -5.182 1.00 32.14 C ATOM 242 NZ LYS A 729 20.569 -9.740 -6.603 1.00 74.50 N ATOM 0 H LYS A 729 17.603 -5.628 -4.345 1.00 2.21 H new ATOM 0 HA LYS A 729 19.768 -7.044 -3.284 1.00 32.33 H new ATOM 0 HB2 LYS A 729 18.978 -7.235 -5.602 1.00 4.45 H new ATOM 0 HB3 LYS A 729 19.424 -5.571 -5.922 1.00 4.45 H new ATOM 0 HG2 LYS A 729 21.071 -7.165 -6.857 1.00 70.14 H new ATOM 0 HG3 LYS A 729 21.801 -6.096 -5.676 1.00 70.14 H new ATOM 0 HD2 LYS A 729 22.587 -8.388 -5.313 1.00 61.42 H new ATOM 0 HD3 LYS A 729 21.629 -7.869 -3.941 1.00 61.42 H new ATOM 0 HE2 LYS A 729 21.038 -10.157 -4.586 1.00 32.14 H new ATOM 0 HE3 LYS A 729 19.671 -9.083 -4.807 1.00 32.14 H new ATOM 0 HZ1 LYS A 729 20.093 -10.663 -6.663 1.00 74.50 H new ATOM 0 HZ2 LYS A 729 20.022 -9.033 -7.135 1.00 74.50 H new ATOM 0 HZ3 LYS A 729 21.524 -9.816 -7.008 1.00 74.50 H new ATOM 256 N PHE A 730 20.208 -3.853 -3.323 1.00 75.21 N ATOM 257 CA PHE A 730 21.102 -2.793 -2.930 1.00 12.02 C ATOM 258 C PHE A 730 21.412 -2.904 -1.476 1.00 53.23 C ATOM 259 O PHE A 730 22.580 -2.871 -1.069 1.00 15.12 O ATOM 260 CB PHE A 730 20.475 -1.455 -3.198 1.00 65.32 C ATOM 261 CG PHE A 730 21.459 -0.322 -3.286 1.00 65.21 C ATOM 262 CD1 PHE A 730 22.164 -0.088 -4.454 1.00 52.32 C ATOM 263 CD2 PHE A 730 21.680 0.507 -2.200 1.00 42.13 C ATOM 264 CE1 PHE A 730 23.070 0.950 -4.539 1.00 42.22 C ATOM 265 CE2 PHE A 730 22.585 1.548 -2.275 1.00 30.12 C ATOM 266 CZ PHE A 730 23.282 1.770 -3.447 1.00 71.31 C ATOM 0 H PHE A 730 19.251 -3.553 -3.509 1.00 75.21 H new ATOM 0 HA PHE A 730 22.020 -2.883 -3.510 1.00 12.02 H new ATOM 0 HB2 PHE A 730 19.915 -1.509 -4.132 1.00 65.32 H new ATOM 0 HB3 PHE A 730 19.757 -1.238 -2.407 1.00 65.32 H new ATOM 0 HD1 PHE A 730 22.003 -0.726 -5.310 1.00 52.32 H new ATOM 0 HD2 PHE A 730 21.138 0.338 -1.282 1.00 42.13 H new ATOM 0 HE1 PHE A 730 23.612 1.121 -5.457 1.00 42.22 H new ATOM 0 HE2 PHE A 730 22.747 2.187 -1.419 1.00 30.12 H new ATOM 0 HZ PHE A 730 23.991 2.582 -3.510 1.00 71.31 H new ATOM 276 N GLU A 731 20.379 -3.034 -0.687 1.00 3.42 N ATOM 277 CA GLU A 731 20.534 -3.131 0.720 1.00 4.13 C ATOM 278 C GLU A 731 21.129 -4.479 1.110 1.00 73.21 C ATOM 279 O GLU A 731 21.850 -4.583 2.094 1.00 35.24 O ATOM 280 CB GLU A 731 19.212 -2.887 1.425 1.00 61.32 C ATOM 281 CG GLU A 731 18.204 -4.013 1.299 1.00 63.53 C ATOM 282 CD GLU A 731 17.024 -3.829 2.198 1.00 0.11 C ATOM 283 OE1 GLU A 731 16.102 -3.094 1.825 1.00 35.22 O ATOM 284 OE2 GLU A 731 17.013 -4.424 3.302 1.00 61.44 O ATOM 0 H GLU A 731 19.413 -3.074 -1.011 1.00 3.42 H new ATOM 0 HA GLU A 731 21.231 -2.357 1.041 1.00 4.13 H new ATOM 0 HB2 GLU A 731 19.408 -2.711 2.483 1.00 61.32 H new ATOM 0 HB3 GLU A 731 18.768 -1.975 1.027 1.00 61.32 H new ATOM 0 HG2 GLU A 731 17.863 -4.077 0.266 1.00 63.53 H new ATOM 0 HG3 GLU A 731 18.691 -4.960 1.533 1.00 63.53 H new ATOM 291 N GLU A 732 20.830 -5.510 0.308 1.00 2.54 N ATOM 292 CA GLU A 732 21.348 -6.845 0.543 1.00 60.41 C ATOM 293 C GLU A 732 22.857 -6.882 0.482 1.00 10.14 C ATOM 294 O GLU A 732 23.478 -7.697 1.133 1.00 64.32 O ATOM 295 CB GLU A 732 20.740 -7.867 -0.420 1.00 43.12 C ATOM 296 CG GLU A 732 19.320 -8.296 -0.049 1.00 71.31 C ATOM 297 CD GLU A 732 18.820 -9.463 -0.875 1.00 70.05 C ATOM 298 OE1 GLU A 732 19.200 -10.625 -0.571 1.00 3.05 O ATOM 299 OE2 GLU A 732 18.045 -9.241 -1.832 1.00 41.21 O ATOM 0 H GLU A 732 20.227 -5.434 -0.511 1.00 2.54 H new ATOM 0 HA GLU A 732 21.051 -7.122 1.554 1.00 60.41 H new ATOM 0 HB2 GLU A 732 20.731 -7.445 -1.425 1.00 43.12 H new ATOM 0 HB3 GLU A 732 21.380 -8.749 -0.450 1.00 43.12 H new ATOM 0 HG2 GLU A 732 19.292 -8.567 1.007 1.00 71.31 H new ATOM 0 HG3 GLU A 732 18.645 -7.450 -0.179 1.00 71.31 H new ATOM 306 N GLU A 733 23.445 -5.997 -0.299 1.00 65.52 N ATOM 307 CA GLU A 733 24.900 -5.882 -0.345 1.00 2.12 C ATOM 308 C GLU A 733 25.468 -5.630 1.046 1.00 31.21 C ATOM 309 O GLU A 733 26.409 -6.274 1.456 1.00 32.23 O ATOM 310 CB GLU A 733 25.334 -4.779 -1.294 1.00 21.42 C ATOM 311 CG GLU A 733 24.947 -5.026 -2.723 1.00 31.44 C ATOM 312 CD GLU A 733 25.513 -3.997 -3.666 1.00 1.43 C ATOM 313 OE1 GLU A 733 26.705 -4.092 -4.005 1.00 10.25 O ATOM 314 OE2 GLU A 733 24.768 -3.082 -4.080 1.00 50.01 O ATOM 0 H GLU A 733 22.947 -5.349 -0.909 1.00 65.52 H new ATOM 0 HA GLU A 733 25.293 -6.828 -0.717 1.00 2.12 H new ATOM 0 HB2 GLU A 733 24.896 -3.836 -0.966 1.00 21.42 H new ATOM 0 HB3 GLU A 733 26.416 -4.665 -1.234 1.00 21.42 H new ATOM 0 HG2 GLU A 733 25.292 -6.016 -3.022 1.00 31.44 H new ATOM 0 HG3 GLU A 733 23.860 -5.029 -2.805 1.00 31.44 H new ATOM 321 N ARG A 734 24.870 -4.703 1.756 1.00 51.11 N ATOM 322 CA ARG A 734 25.298 -4.367 3.101 1.00 51.14 C ATOM 323 C ARG A 734 24.731 -5.380 4.106 1.00 74.33 C ATOM 324 O ARG A 734 25.436 -5.865 4.982 1.00 53.35 O ATOM 325 CB ARG A 734 24.844 -2.921 3.454 1.00 10.12 C ATOM 326 CG ARG A 734 25.550 -2.273 4.672 1.00 2.23 C ATOM 327 CD ARG A 734 25.086 -2.860 5.999 1.00 71.53 C ATOM 328 NE ARG A 734 23.652 -2.649 6.229 1.00 73.45 N ATOM 329 CZ ARG A 734 22.946 -3.215 7.224 1.00 43.31 C ATOM 330 NH1 ARG A 734 23.544 -4.033 8.094 1.00 53.33 N ATOM 331 NH2 ARG A 734 21.651 -2.954 7.349 1.00 12.54 N ATOM 0 H ARG A 734 24.074 -4.159 1.422 1.00 51.11 H new ATOM 0 HA ARG A 734 26.386 -4.410 3.153 1.00 51.14 H new ATOM 0 HB2 ARG A 734 25.007 -2.286 2.583 1.00 10.12 H new ATOM 0 HB3 ARG A 734 23.771 -2.933 3.644 1.00 10.12 H new ATOM 0 HG2 ARG A 734 26.627 -2.407 4.576 1.00 2.23 H new ATOM 0 HG3 ARG A 734 25.361 -1.200 4.668 1.00 2.23 H new ATOM 0 HD2 ARG A 734 25.301 -3.928 6.017 1.00 71.53 H new ATOM 0 HD3 ARG A 734 25.653 -2.407 6.812 1.00 71.53 H new ATOM 0 HE ARG A 734 23.156 -2.029 5.589 1.00 73.45 H new ATOM 0 HH11 ARG A 734 24.541 -4.231 8.006 1.00 53.33 H new ATOM 0 HH12 ARG A 734 23.004 -4.460 8.847 1.00 53.33 H new ATOM 0 HH21 ARG A 734 21.192 -2.325 6.691 1.00 12.54 H new ATOM 0 HH22 ARG A 734 21.115 -3.383 8.103 1.00 12.54 H new ATOM 345 N ALA A 735 23.463 -5.696 3.948 1.00 43.21 N ATOM 346 CA ALA A 735 22.750 -6.568 4.884 1.00 21.44 C ATOM 347 C ALA A 735 23.339 -7.981 4.911 1.00 22.32 C ATOM 348 O ALA A 735 23.614 -8.535 5.979 1.00 22.34 O ATOM 349 CB ALA A 735 21.270 -6.614 4.533 1.00 32.45 C ATOM 0 H ALA A 735 22.891 -5.362 3.173 1.00 43.21 H new ATOM 0 HA ALA A 735 22.868 -6.149 5.883 1.00 21.44 H new ATOM 0 HB1 ALA A 735 20.750 -7.265 5.235 1.00 32.45 H new ATOM 0 HB2 ALA A 735 20.851 -5.609 4.591 1.00 32.45 H new ATOM 0 HB3 ALA A 735 21.148 -7.000 3.521 1.00 32.45 H new ATOM 355 N ARG A 736 23.555 -8.545 3.745 1.00 33.31 N ATOM 356 CA ARG A 736 24.052 -9.897 3.628 1.00 53.24 C ATOM 357 C ARG A 736 25.573 -9.936 3.874 1.00 4.35 C ATOM 358 O ARG A 736 26.171 -10.998 3.980 1.00 14.45 O ATOM 359 CB ARG A 736 23.727 -10.433 2.240 1.00 2.43 C ATOM 360 CG ARG A 736 23.969 -11.898 2.054 1.00 34.13 C ATOM 361 CD ARG A 736 23.943 -12.256 0.598 1.00 60.52 C ATOM 362 NE ARG A 736 22.663 -11.924 -0.051 1.00 11.43 N ATOM 363 CZ ARG A 736 22.499 -11.833 -1.383 1.00 62.43 C ATOM 364 NH1 ARG A 736 23.554 -11.972 -2.195 1.00 74.30 N ATOM 365 NH2 ARG A 736 21.304 -11.571 -1.897 1.00 25.01 N ATOM 0 H ARG A 736 23.391 -8.080 2.852 1.00 33.31 H new ATOM 0 HA ARG A 736 23.571 -10.523 4.380 1.00 53.24 H new ATOM 0 HB2 ARG A 736 22.680 -10.223 2.022 1.00 2.43 H new ATOM 0 HB3 ARG A 736 24.321 -9.886 1.508 1.00 2.43 H new ATOM 0 HG2 ARG A 736 24.933 -12.170 2.484 1.00 34.13 H new ATOM 0 HG3 ARG A 736 23.209 -12.468 2.588 1.00 34.13 H new ATOM 0 HD2 ARG A 736 24.751 -11.733 0.086 1.00 60.52 H new ATOM 0 HD3 ARG A 736 24.134 -13.323 0.488 1.00 60.52 H new ATOM 0 HE ARG A 736 21.853 -11.753 0.545 1.00 11.43 H new ATOM 0 HH11 ARG A 736 24.480 -12.146 -1.803 1.00 74.30 H new ATOM 0 HH12 ARG A 736 23.432 -11.903 -3.205 1.00 74.30 H new ATOM 0 HH21 ARG A 736 20.502 -11.437 -1.281 1.00 25.01 H new ATOM 0 HH22 ARG A 736 21.187 -11.503 -2.908 1.00 25.01 H new ATOM 379 N ALA A 737 26.173 -8.768 3.979 1.00 51.02 N ATOM 380 CA ALA A 737 27.604 -8.664 4.214 1.00 33.13 C ATOM 381 C ALA A 737 27.953 -8.975 5.666 1.00 44.01 C ATOM 382 O ALA A 737 29.117 -9.164 6.007 1.00 31.04 O ATOM 383 CB ALA A 737 28.094 -7.293 3.847 1.00 61.23 C ATOM 0 H ALA A 737 25.692 -7.872 3.905 1.00 51.02 H new ATOM 0 HA ALA A 737 28.100 -9.401 3.583 1.00 33.13 H new ATOM 0 HB1 ALA A 737 29.167 -7.230 4.028 1.00 61.23 H new ATOM 0 HB2 ALA A 737 27.892 -7.105 2.793 1.00 61.23 H new ATOM 0 HB3 ALA A 737 27.579 -6.548 4.454 1.00 61.23 H new ATOM 389 N LYS A 738 26.953 -9.025 6.508 1.00 74.40 N ATOM 390 CA LYS A 738 27.161 -9.275 7.905 1.00 24.22 C ATOM 391 C LYS A 738 26.105 -10.208 8.455 1.00 72.15 C ATOM 392 O LYS A 738 26.385 -11.040 9.323 1.00 52.40 O ATOM 393 CB LYS A 738 27.189 -7.957 8.687 1.00 0.13 C ATOM 394 CG LYS A 738 27.661 -8.110 10.131 1.00 52.55 C ATOM 395 CD LYS A 738 29.068 -8.693 10.198 1.00 74.13 C ATOM 396 CE LYS A 738 30.106 -7.738 9.618 1.00 12.05 C ATOM 397 NZ LYS A 738 31.461 -8.328 9.636 1.00 23.44 N ATOM 0 H LYS A 738 25.977 -8.894 6.243 1.00 74.40 H new ATOM 0 HA LYS A 738 28.128 -9.764 8.022 1.00 24.22 H new ATOM 0 HB2 LYS A 738 27.844 -7.253 8.173 1.00 0.13 H new ATOM 0 HB3 LYS A 738 26.189 -7.522 8.685 1.00 0.13 H new ATOM 0 HG2 LYS A 738 27.644 -7.139 10.626 1.00 52.55 H new ATOM 0 HG3 LYS A 738 26.972 -8.756 10.674 1.00 52.55 H new ATOM 0 HD2 LYS A 738 29.319 -8.917 11.235 1.00 74.13 H new ATOM 0 HD3 LYS A 738 29.097 -9.636 9.652 1.00 74.13 H new ATOM 0 HE2 LYS A 738 29.834 -7.483 8.594 1.00 12.05 H new ATOM 0 HE3 LYS A 738 30.106 -6.809 10.189 1.00 12.05 H new ATOM 0 HZ1 LYS A 738 32.140 -7.650 9.234 1.00 23.44 H new ATOM 0 HZ2 LYS A 738 31.731 -8.549 10.616 1.00 23.44 H new ATOM 0 HZ3 LYS A 738 31.467 -9.201 9.070 1.00 23.44 H new ATOM 411 N TRP A 739 24.903 -10.089 7.935 1.00 62.44 N ATOM 412 CA TRP A 739 23.774 -10.857 8.413 1.00 43.44 C ATOM 413 C TRP A 739 23.191 -11.648 7.288 1.00 13.11 C ATOM 414 O TRP A 739 21.965 -11.685 7.083 1.00 64.32 O ATOM 415 CB TRP A 739 22.738 -9.918 9.009 1.00 21.53 C ATOM 416 CG TRP A 739 23.328 -9.036 10.050 1.00 32.41 C ATOM 417 CD1 TRP A 739 24.156 -7.985 9.835 1.00 1.53 C ATOM 418 CD2 TRP A 739 23.153 -9.126 11.460 1.00 45.13 C ATOM 419 NE1 TRP A 739 24.546 -7.444 11.000 1.00 42.12 N ATOM 420 CE2 TRP A 739 23.930 -8.108 12.032 1.00 72.22 C ATOM 421 CE3 TRP A 739 22.421 -9.971 12.297 1.00 75.33 C ATOM 422 CZ2 TRP A 739 24.002 -7.905 13.406 1.00 12.41 C ATOM 423 CZ3 TRP A 739 22.487 -9.770 13.662 1.00 53.15 C ATOM 424 CH2 TRP A 739 23.273 -8.743 14.206 1.00 3.43 C ATOM 0 H TRP A 739 24.680 -9.456 7.167 1.00 62.44 H new ATOM 0 HA TRP A 739 24.101 -11.551 9.188 1.00 43.44 H new ATOM 0 HB2 TRP A 739 22.303 -9.307 8.218 1.00 21.53 H new ATOM 0 HB3 TRP A 739 21.926 -10.501 9.444 1.00 21.53 H new ATOM 0 HD1 TRP A 739 24.460 -7.631 8.861 1.00 1.53 H new ATOM 0 HE1 TRP A 739 25.196 -6.664 11.102 1.00 42.12 H new ATOM 0 HE3 TRP A 739 21.816 -10.765 11.885 1.00 75.33 H new ATOM 0 HZ2 TRP A 739 24.610 -7.117 13.826 1.00 12.41 H new ATOM 0 HZ3 TRP A 739 21.924 -10.414 14.321 1.00 53.15 H new ATOM 0 HH2 TRP A 739 23.303 -8.611 15.277 1.00 3.43 H new ATOM 435 N ASP A 740 24.065 -12.274 6.557 1.00 20.31 N ATOM 436 CA ASP A 740 23.713 -13.116 5.439 1.00 32.51 C ATOM 437 C ASP A 740 22.714 -14.205 5.823 1.00 0.02 C ATOM 438 O ASP A 740 21.825 -14.511 5.064 1.00 51.23 O ATOM 439 CB ASP A 740 24.974 -13.742 4.821 1.00 24.14 C ATOM 440 CG ASP A 740 25.757 -14.594 5.790 1.00 12.43 C ATOM 441 OD1 ASP A 740 26.491 -14.027 6.620 1.00 71.20 O ATOM 442 OD2 ASP A 740 25.642 -15.833 5.730 1.00 70.32 O ATOM 0 H ASP A 740 25.070 -12.215 6.721 1.00 20.31 H new ATOM 0 HA ASP A 740 23.227 -12.480 4.699 1.00 32.51 H new ATOM 0 HB2 ASP A 740 24.686 -14.351 3.964 1.00 24.14 H new ATOM 0 HB3 ASP A 740 25.618 -12.947 4.445 1.00 24.14 H new ATOM 447 N THR A 741 22.859 -14.769 7.005 1.00 51.55 N ATOM 448 CA THR A 741 21.967 -15.837 7.433 1.00 3.25 C ATOM 449 C THR A 741 20.636 -15.261 7.976 1.00 60.30 C ATOM 450 O THR A 741 19.642 -15.973 8.104 1.00 24.43 O ATOM 451 CB THR A 741 22.644 -16.770 8.511 1.00 40.30 C ATOM 452 OG1 THR A 741 21.873 -17.974 8.685 1.00 12.25 O ATOM 453 CG2 THR A 741 22.769 -16.061 9.853 1.00 43.50 C ATOM 0 H THR A 741 23.577 -14.512 7.683 1.00 51.55 H new ATOM 0 HA THR A 741 21.751 -16.447 6.556 1.00 3.25 H new ATOM 0 HB THR A 741 23.642 -17.020 8.150 1.00 40.30 H new ATOM 0 HG1 THR A 741 20.920 -17.770 8.583 1.00 12.25 H new ATOM 0 HG21 THR A 741 23.239 -16.729 10.575 1.00 43.50 H new ATOM 0 HG22 THR A 741 23.380 -15.166 9.736 1.00 43.50 H new ATOM 0 HG23 THR A 741 21.778 -15.780 10.210 1.00 43.50 H new ATOM 461 N ALA A 742 20.633 -13.967 8.261 1.00 54.14 N ATOM 462 CA ALA A 742 19.465 -13.307 8.824 1.00 61.00 C ATOM 463 C ALA A 742 18.545 -12.787 7.729 1.00 24.31 C ATOM 464 O ALA A 742 17.324 -12.960 7.789 1.00 1.45 O ATOM 465 CB ALA A 742 19.892 -12.172 9.741 1.00 10.12 C ATOM 0 H ALA A 742 21.432 -13.351 8.110 1.00 54.14 H new ATOM 0 HA ALA A 742 18.910 -14.042 9.407 1.00 61.00 H new ATOM 0 HB1 ALA A 742 19.008 -11.687 10.155 1.00 10.12 H new ATOM 0 HB2 ALA A 742 20.502 -12.570 10.552 1.00 10.12 H new ATOM 0 HB3 ALA A 742 20.473 -11.445 9.174 1.00 10.12 H new ATOM 471 N ASN A 743 19.121 -12.156 6.741 1.00 62.42 N ATOM 472 CA ASN A 743 18.339 -11.595 5.638 1.00 71.04 C ATOM 473 C ASN A 743 18.036 -12.647 4.618 1.00 31.32 C ATOM 474 O ASN A 743 17.012 -12.601 3.942 1.00 71.41 O ATOM 475 CB ASN A 743 19.087 -10.435 4.969 1.00 11.05 C ATOM 476 CG ASN A 743 19.347 -9.286 5.907 1.00 64.04 C ATOM 477 OD1 ASN A 743 18.527 -8.378 6.045 1.00 12.24 O ATOM 478 ND2 ASN A 743 20.479 -9.306 6.548 1.00 22.44 N ATOM 0 H ASN A 743 20.128 -12.010 6.664 1.00 62.42 H new ATOM 0 HA ASN A 743 17.404 -11.219 6.054 1.00 71.04 H new ATOM 0 HB2 ASN A 743 20.037 -10.800 4.577 1.00 11.05 H new ATOM 0 HB3 ASN A 743 18.507 -10.078 4.118 1.00 11.05 H new ATOM 0 HD21 ASN A 743 20.714 -8.551 7.193 1.00 22.44 H new ATOM 0 HD22 ASN A 743 21.132 -10.077 6.406 1.00 22.44 H new ATOM 485 N ASN A 744 18.917 -13.598 4.509 1.00 22.14 N ATOM 486 CA ASN A 744 18.796 -14.636 3.531 1.00 52.54 C ATOM 487 C ASN A 744 18.809 -16.002 4.216 1.00 3.13 C ATOM 488 O ASN A 744 19.860 -16.482 4.633 1.00 32.53 O ATOM 489 CB ASN A 744 19.953 -14.536 2.504 1.00 51.11 C ATOM 490 CG ASN A 744 20.012 -13.178 1.795 1.00 64.53 C ATOM 491 OD1 ASN A 744 20.672 -12.244 2.265 1.00 34.44 O ATOM 492 ND2 ASN A 744 19.354 -13.068 0.670 1.00 11.43 N ATOM 0 H ASN A 744 19.744 -13.675 5.101 1.00 22.14 H new ATOM 0 HA ASN A 744 17.850 -14.519 3.002 1.00 52.54 H new ATOM 0 HB2 ASN A 744 20.900 -14.714 3.014 1.00 51.11 H new ATOM 0 HB3 ASN A 744 19.839 -15.323 1.759 1.00 51.11 H new ATOM 0 HD21 ASN A 744 19.375 -12.190 0.151 1.00 11.43 H new ATOM 0 HD22 ASN A 744 18.820 -13.860 0.312 1.00 11.43 H new ATOM 499 N PRO A 745 17.627 -16.636 4.361 1.00 2.04 N ATOM 500 CA PRO A 745 17.490 -17.944 5.053 1.00 71.32 C ATOM 501 C PRO A 745 18.178 -19.070 4.286 1.00 14.42 C ATOM 502 O PRO A 745 18.571 -20.087 4.859 1.00 61.03 O ATOM 503 CB PRO A 745 15.971 -18.168 5.078 1.00 42.43 C ATOM 504 CG PRO A 745 15.452 -17.349 3.945 1.00 74.20 C ATOM 505 CD PRO A 745 16.328 -16.135 3.879 1.00 65.14 C ATOM 0 HA PRO A 745 17.953 -17.940 6.040 1.00 71.32 H new ATOM 0 HB2 PRO A 745 15.723 -19.222 4.951 1.00 42.43 H new ATOM 0 HB3 PRO A 745 15.539 -17.851 6.027 1.00 42.43 H new ATOM 0 HG2 PRO A 745 15.489 -17.908 3.010 1.00 74.20 H new ATOM 0 HG3 PRO A 745 14.411 -17.071 4.109 1.00 74.20 H new ATOM 0 HD2 PRO A 745 16.398 -15.743 2.864 1.00 65.14 H new ATOM 0 HD3 PRO A 745 15.948 -15.329 4.507 1.00 65.14 H new ATOM 513 N LEU A 746 18.326 -18.871 3.015 1.00 73.53 N ATOM 514 CA LEU A 746 18.954 -19.835 2.141 1.00 61.13 C ATOM 515 C LEU A 746 19.502 -19.136 0.945 1.00 4.10 C ATOM 516 O LEU A 746 20.609 -19.423 0.488 1.00 70.44 O ATOM 517 CB LEU A 746 17.935 -20.910 1.706 1.00 64.33 C ATOM 518 CG LEU A 746 18.430 -21.942 0.680 1.00 11.25 C ATOM 519 CD1 LEU A 746 19.582 -22.760 1.243 1.00 31.23 C ATOM 520 CD2 LEU A 746 17.295 -22.845 0.243 1.00 2.02 C ATOM 0 H LEU A 746 18.013 -18.025 2.539 1.00 73.53 H new ATOM 0 HA LEU A 746 19.766 -20.327 2.677 1.00 61.13 H new ATOM 0 HB2 LEU A 746 17.601 -21.445 2.595 1.00 64.33 H new ATOM 0 HB3 LEU A 746 17.062 -20.406 1.291 1.00 64.33 H new ATOM 0 HG LEU A 746 18.796 -21.403 -0.194 1.00 11.25 H new ATOM 0 HD11 LEU A 746 19.914 -23.483 0.497 1.00 31.23 H new ATOM 0 HD12 LEU A 746 20.408 -22.097 1.498 1.00 31.23 H new ATOM 0 HD13 LEU A 746 19.251 -23.288 2.137 1.00 31.23 H new ATOM 0 HD21 LEU A 746 17.665 -23.569 -0.483 1.00 2.02 H new ATOM 0 HD22 LEU A 746 16.895 -23.372 1.109 1.00 2.02 H new ATOM 0 HD23 LEU A 746 16.507 -22.245 -0.212 1.00 2.02 H new ATOM 556 N LYS A 748 16.915 -16.799 -0.989 1.00 3.41 N ATOM 557 CA LYS A 748 15.853 -15.965 -1.317 1.00 71.15 C ATOM 558 C LYS A 748 14.757 -16.126 -0.304 1.00 2.01 C ATOM 559 O LYS A 748 14.930 -16.806 0.709 1.00 13.43 O ATOM 560 CB LYS A 748 15.324 -16.379 -2.695 1.00 54.14 C ATOM 561 CG LYS A 748 16.279 -16.172 -3.845 1.00 32.04 C ATOM 562 CD LYS A 748 16.774 -14.757 -3.918 1.00 21.24 C ATOM 563 CE LYS A 748 17.718 -14.590 -5.079 1.00 42.54 C ATOM 564 NZ LYS A 748 18.273 -13.243 -5.158 1.00 11.12 N ATOM 0 HA LYS A 748 16.183 -14.926 -1.330 1.00 71.15 H new ATOM 0 HB2 LYS A 748 15.050 -17.433 -2.658 1.00 54.14 H new ATOM 0 HB3 LYS A 748 14.411 -15.819 -2.898 1.00 54.14 H new ATOM 0 HG2 LYS A 748 17.128 -16.848 -3.738 1.00 32.04 H new ATOM 0 HG3 LYS A 748 15.782 -16.431 -4.780 1.00 32.04 H new ATOM 0 HD2 LYS A 748 15.930 -14.075 -4.026 1.00 21.24 H new ATOM 0 HD3 LYS A 748 17.280 -14.494 -2.989 1.00 21.24 H new ATOM 0 HE2 LYS A 748 18.531 -15.310 -4.988 1.00 42.54 H new ATOM 0 HE3 LYS A 748 17.192 -14.818 -6.006 1.00 42.54 H new ATOM 0 HZ1 LYS A 748 18.916 -13.180 -5.973 1.00 11.12 H new ATOM 0 HZ2 LYS A 748 17.501 -12.556 -5.272 1.00 11.12 H new ATOM 0 HZ3 LYS A 748 18.798 -13.032 -4.286 1.00 11.12 H new ATOM 578 N GLU A 749 13.650 -15.524 -0.569 1.00 64.42 N ATOM 579 CA GLU A 749 12.474 -15.720 0.209 1.00 25.12 C ATOM 580 C GLU A 749 11.766 -16.949 -0.323 1.00 73.55 C ATOM 581 O GLU A 749 11.263 -17.793 0.433 1.00 72.11 O ATOM 582 CB GLU A 749 11.566 -14.507 0.054 1.00 70.14 C ATOM 583 CG GLU A 749 10.351 -14.513 0.940 1.00 63.43 C ATOM 584 CD GLU A 749 10.688 -14.265 2.379 1.00 64.31 C ATOM 585 OE1 GLU A 749 11.049 -13.108 2.720 1.00 4.20 O ATOM 586 OE2 GLU A 749 10.590 -15.201 3.183 1.00 45.31 O ATOM 0 H GLU A 749 13.533 -14.871 -1.344 1.00 64.42 H new ATOM 0 HA GLU A 749 12.724 -15.849 1.262 1.00 25.12 H new ATOM 0 HB2 GLU A 749 12.146 -13.608 0.262 1.00 70.14 H new ATOM 0 HB3 GLU A 749 11.241 -14.444 -0.985 1.00 70.14 H new ATOM 0 HG2 GLU A 749 9.652 -13.750 0.597 1.00 63.43 H new ATOM 0 HG3 GLU A 749 9.844 -15.474 0.849 1.00 63.43 H new ATOM 593 N ALA A 750 11.762 -17.056 -1.636 1.00 30.31 N ATOM 594 CA ALA A 750 11.111 -18.126 -2.336 1.00 53.45 C ATOM 595 C ALA A 750 11.748 -19.472 -2.038 1.00 72.32 C ATOM 596 O ALA A 750 11.068 -20.494 -2.025 1.00 33.21 O ATOM 597 CB ALA A 750 11.142 -17.859 -3.811 1.00 51.51 C ATOM 0 H ALA A 750 12.222 -16.385 -2.251 1.00 30.31 H new ATOM 0 HA ALA A 750 10.078 -18.169 -1.990 1.00 53.45 H new ATOM 0 HB1 ALA A 750 10.647 -18.674 -4.339 1.00 51.51 H new ATOM 0 HB2 ALA A 750 10.625 -16.923 -4.022 1.00 51.51 H new ATOM 0 HB3 ALA A 750 12.177 -17.786 -4.146 1.00 51.51 H new ATOM 603 N THR A 751 13.049 -19.458 -1.775 1.00 44.43 N ATOM 604 CA THR A 751 13.815 -20.686 -1.555 1.00 73.34 C ATOM 605 C THR A 751 13.304 -21.480 -0.343 1.00 43.24 C ATOM 606 O THR A 751 13.449 -22.705 -0.282 1.00 3.50 O ATOM 607 CB THR A 751 15.327 -20.385 -1.376 1.00 50.22 C ATOM 608 OG1 THR A 751 15.511 -19.332 -0.408 1.00 41.45 O ATOM 609 CG2 THR A 751 15.952 -19.975 -2.689 1.00 53.33 C ATOM 0 H THR A 751 13.603 -18.604 -1.708 1.00 44.43 H new ATOM 0 HA THR A 751 13.675 -21.297 -2.447 1.00 73.34 H new ATOM 0 HB THR A 751 15.814 -21.294 -1.024 1.00 50.22 H new ATOM 0 HG1 THR A 751 15.989 -18.585 -0.824 1.00 41.45 H new ATOM 0 HG21 THR A 751 17.012 -19.769 -2.539 1.00 53.33 H new ATOM 0 HG22 THR A 751 15.838 -20.781 -3.414 1.00 53.33 H new ATOM 0 HG23 THR A 751 15.458 -19.078 -3.063 1.00 53.33 H new ATOM 617 N SER A 752 12.720 -20.786 0.604 1.00 0.13 N ATOM 618 CA SER A 752 12.232 -21.416 1.798 1.00 74.13 C ATOM 619 C SER A 752 10.690 -21.417 1.838 1.00 15.51 C ATOM 620 O SER A 752 10.080 -22.212 2.550 1.00 75.21 O ATOM 621 CB SER A 752 12.800 -20.700 3.026 1.00 73.21 C ATOM 622 OG SER A 752 14.229 -20.608 2.945 1.00 72.31 O ATOM 0 H SER A 752 12.572 -19.777 0.566 1.00 0.13 H new ATOM 0 HA SER A 752 12.563 -22.455 1.802 1.00 74.13 H new ATOM 0 HB2 SER A 752 12.370 -19.701 3.102 1.00 73.21 H new ATOM 0 HB3 SER A 752 12.516 -21.238 3.930 1.00 73.21 H new ATOM 0 HG SER A 752 14.618 -20.769 3.830 1.00 72.31 H new ATOM 628 N THR A 753 10.081 -20.542 1.053 1.00 24.21 N ATOM 629 CA THR A 753 8.637 -20.373 1.081 1.00 23.13 C ATOM 630 C THR A 753 7.919 -21.296 0.057 1.00 4.10 C ATOM 631 O THR A 753 6.817 -21.795 0.322 1.00 1.23 O ATOM 632 CB THR A 753 8.249 -18.890 0.813 1.00 51.43 C ATOM 633 OG1 THR A 753 8.953 -18.036 1.735 1.00 4.23 O ATOM 634 CG2 THR A 753 6.751 -18.678 0.989 1.00 2.22 C ATOM 0 H THR A 753 10.565 -19.938 0.389 1.00 24.21 H new ATOM 0 HA THR A 753 8.306 -20.658 2.080 1.00 23.13 H new ATOM 0 HB THR A 753 8.521 -18.645 -0.214 1.00 51.43 H new ATOM 0 HG1 THR A 753 9.783 -17.720 1.320 1.00 4.23 H new ATOM 0 HG21 THR A 753 6.506 -17.634 0.796 1.00 2.22 H new ATOM 0 HG22 THR A 753 6.209 -19.313 0.288 1.00 2.22 H new ATOM 0 HG23 THR A 753 6.464 -18.935 2.009 1.00 2.22 H new ATOM 642 N PHE A 754 8.539 -21.524 -1.085 1.00 52.34 N ATOM 643 CA PHE A 754 7.894 -22.291 -2.145 1.00 23.23 C ATOM 644 C PHE A 754 8.565 -23.626 -2.354 1.00 31.10 C ATOM 645 O PHE A 754 9.631 -23.893 -1.798 1.00 74.54 O ATOM 646 CB PHE A 754 7.864 -21.499 -3.454 1.00 31.21 C ATOM 647 CG PHE A 754 7.154 -20.187 -3.344 1.00 24.04 C ATOM 648 CD1 PHE A 754 5.784 -20.139 -3.163 1.00 12.22 C ATOM 649 CD2 PHE A 754 7.855 -19.004 -3.421 1.00 40.40 C ATOM 650 CE1 PHE A 754 5.130 -18.930 -3.058 1.00 62.15 C ATOM 651 CE2 PHE A 754 7.209 -17.790 -3.318 1.00 51.02 C ATOM 652 CZ PHE A 754 5.844 -17.753 -3.135 1.00 34.22 C ATOM 0 H PHE A 754 9.479 -21.195 -1.306 1.00 52.34 H new ATOM 0 HA PHE A 754 6.868 -22.479 -1.829 1.00 23.23 H new ATOM 0 HB2 PHE A 754 8.887 -21.322 -3.785 1.00 31.21 H new ATOM 0 HB3 PHE A 754 7.380 -22.101 -4.222 1.00 31.21 H new ATOM 0 HD1 PHE A 754 5.220 -21.058 -3.103 1.00 12.22 H new ATOM 0 HD2 PHE A 754 8.925 -19.027 -3.564 1.00 40.40 H new ATOM 0 HE1 PHE A 754 4.060 -18.905 -2.916 1.00 62.15 H new ATOM 0 HE2 PHE A 754 7.772 -16.870 -3.381 1.00 51.02 H new ATOM 0 HZ PHE A 754 5.334 -16.804 -3.052 1.00 34.22 H new ATOM 662 N THR A 755 7.954 -24.454 -3.169 1.00 42.11 N ATOM 663 CA THR A 755 8.448 -25.796 -3.434 1.00 72.52 C ATOM 664 C THR A 755 9.462 -25.810 -4.590 1.00 14.41 C ATOM 665 O THR A 755 9.487 -26.753 -5.391 1.00 32.34 O ATOM 666 CB THR A 755 7.279 -26.760 -3.761 1.00 71.41 C ATOM 667 OG1 THR A 755 6.456 -26.202 -4.818 1.00 74.51 O ATOM 668 CG2 THR A 755 6.427 -26.997 -2.530 1.00 62.42 C ATOM 0 H THR A 755 7.097 -24.220 -3.671 1.00 42.11 H new ATOM 0 HA THR A 755 8.952 -26.134 -2.529 1.00 72.52 H new ATOM 0 HB THR A 755 7.698 -27.711 -4.091 1.00 71.41 H new ATOM 0 HG1 THR A 755 5.721 -26.818 -5.020 1.00 74.51 H new ATOM 0 HG21 THR A 755 5.611 -27.676 -2.777 1.00 62.42 H new ATOM 0 HG22 THR A 755 7.039 -27.437 -1.743 1.00 62.42 H new ATOM 0 HG23 THR A 755 6.017 -26.048 -2.183 1.00 62.42 H new ATOM 676 N ASN A 756 10.309 -24.762 -4.645 1.00 21.12 N ATOM 677 CA ASN A 756 11.355 -24.606 -5.693 1.00 22.01 C ATOM 678 C ASN A 756 10.766 -24.143 -6.992 1.00 13.30 C ATOM 679 O ASN A 756 9.917 -24.812 -7.578 1.00 32.41 O ATOM 680 CB ASN A 756 12.193 -25.897 -5.906 1.00 14.35 C ATOM 681 CG ASN A 756 13.161 -26.178 -4.777 1.00 35.23 C ATOM 682 OD1 ASN A 756 12.827 -26.851 -3.811 1.00 52.42 O ATOM 683 ND2 ASN A 756 14.360 -25.680 -4.902 1.00 43.55 N ATOM 0 H ASN A 756 10.293 -23.998 -3.969 1.00 21.12 H new ATOM 0 HA ASN A 756 12.036 -23.838 -5.326 1.00 22.01 H new ATOM 0 HB2 ASN A 756 11.518 -26.746 -6.016 1.00 14.35 H new ATOM 0 HB3 ASN A 756 12.750 -25.810 -6.839 1.00 14.35 H new ATOM 0 HD21 ASN A 756 15.059 -25.847 -4.178 1.00 43.55 H new ATOM 0 HD22 ASN A 756 14.598 -25.124 -5.723 1.00 43.55 H new ATOM 690 N ILE A 757 11.194 -23.004 -7.437 1.00 22.33 N ATOM 691 CA ILE A 757 10.700 -22.437 -8.674 1.00 30.20 C ATOM 692 C ILE A 757 11.865 -22.068 -9.567 1.00 32.11 C ATOM 693 O ILE A 757 12.958 -21.768 -9.078 1.00 40.12 O ATOM 694 CB ILE A 757 9.819 -21.134 -8.438 1.00 33.43 C ATOM 695 CG1 ILE A 757 9.322 -21.012 -6.974 1.00 24.11 C ATOM 696 CG2 ILE A 757 8.639 -21.120 -9.385 1.00 71.03 C ATOM 697 CD1 ILE A 757 10.360 -20.481 -6.001 1.00 0.35 C ATOM 0 H ILE A 757 11.894 -22.434 -6.962 1.00 22.33 H new ATOM 0 HA ILE A 757 10.071 -23.195 -9.140 1.00 30.20 H new ATOM 0 HB ILE A 757 10.460 -20.276 -8.637 1.00 33.43 H new ATOM 0 HG12 ILE A 757 8.452 -20.356 -6.952 1.00 24.11 H new ATOM 0 HG13 ILE A 757 8.990 -21.993 -6.633 1.00 24.11 H new ATOM 0 HG21 ILE A 757 8.045 -20.223 -9.212 1.00 71.03 H new ATOM 0 HG22 ILE A 757 8.998 -21.125 -10.414 1.00 71.03 H new ATOM 0 HG23 ILE A 757 8.023 -22.002 -9.212 1.00 71.03 H new ATOM 0 HD11 ILE A 757 9.928 -20.428 -5.002 1.00 0.35 H new ATOM 0 HD12 ILE A 757 11.222 -21.148 -5.989 1.00 0.35 H new ATOM 0 HD13 ILE A 757 10.676 -19.485 -6.313 1.00 0.35 H new ATOM 709 N THR A 758 11.646 -22.084 -10.859 1.00 72.11 N ATOM 710 CA THR A 758 12.674 -21.710 -11.796 1.00 44.54 C ATOM 711 C THR A 758 12.808 -20.179 -11.845 1.00 65.42 C ATOM 712 O THR A 758 13.870 -19.636 -12.185 1.00 50.10 O ATOM 713 CB THR A 758 12.389 -22.280 -13.223 1.00 13.43 C ATOM 714 OG1 THR A 758 13.569 -22.213 -14.018 1.00 51.21 O ATOM 715 CG2 THR A 758 11.273 -21.509 -13.923 1.00 71.52 C ATOM 0 H THR A 758 10.760 -22.354 -11.286 1.00 72.11 H new ATOM 0 HA THR A 758 13.615 -22.142 -11.454 1.00 44.54 H new ATOM 0 HB THR A 758 12.073 -23.317 -13.106 1.00 13.43 H new ATOM 0 HG1 THR A 758 13.383 -22.573 -14.910 1.00 51.21 H new ATOM 0 HG21 THR A 758 11.103 -21.934 -14.912 1.00 71.52 H new ATOM 0 HG22 THR A 758 10.358 -21.580 -13.335 1.00 71.52 H new ATOM 0 HG23 THR A 758 11.561 -20.462 -14.022 1.00 71.52 H new ATOM 723 N TYR A 759 11.727 -19.496 -11.479 1.00 14.11 N ATOM 724 CA TYR A 759 11.721 -18.066 -11.379 1.00 52.11 C ATOM 725 C TYR A 759 12.334 -17.668 -10.082 1.00 33.43 C ATOM 726 O TYR A 759 13.026 -16.649 -9.985 1.00 51.33 O ATOM 727 CB TYR A 759 10.300 -17.563 -11.455 1.00 24.41 C ATOM 728 CG TYR A 759 9.591 -17.959 -12.723 1.00 53.34 C ATOM 729 CD1 TYR A 759 9.814 -17.273 -13.899 1.00 21.35 C ATOM 730 CD2 TYR A 759 8.708 -19.026 -12.744 1.00 24.12 C ATOM 731 CE1 TYR A 759 9.181 -17.632 -15.061 1.00 75.42 C ATOM 732 CE2 TYR A 759 8.070 -19.395 -13.903 1.00 2.35 C ATOM 733 CZ TYR A 759 8.308 -18.696 -15.061 1.00 5.10 C ATOM 734 OH TYR A 759 7.667 -19.066 -16.234 1.00 70.11 O ATOM 0 H TYR A 759 10.835 -19.933 -11.246 1.00 14.11 H new ATOM 0 HA TYR A 759 12.294 -17.633 -12.199 1.00 52.11 H new ATOM 0 HB2 TYR A 759 9.741 -17.945 -10.601 1.00 24.41 H new ATOM 0 HB3 TYR A 759 10.303 -16.476 -11.374 1.00 24.41 H new ATOM 0 HD1 TYR A 759 10.499 -16.438 -13.904 1.00 21.35 H new ATOM 0 HD2 TYR A 759 8.518 -19.577 -11.834 1.00 24.12 H new ATOM 0 HE1 TYR A 759 9.367 -17.082 -15.972 1.00 75.42 H new ATOM 0 HE2 TYR A 759 7.385 -20.230 -13.904 1.00 2.35 H new ATOM 0 HH TYR A 759 7.086 -19.836 -16.061 1.00 70.11 H new ATOM 744 N ARG A 760 12.090 -18.514 -9.079 1.00 12.33 N ATOM 745 CA ARG A 760 12.605 -18.369 -7.741 1.00 34.12 C ATOM 746 C ARG A 760 12.468 -16.957 -7.209 1.00 25.33 C ATOM 747 O ARG A 760 13.435 -16.194 -7.148 1.00 75.04 O ATOM 748 CB ARG A 760 14.019 -18.898 -7.634 1.00 53.42 C ATOM 749 CG ARG A 760 14.517 -19.075 -6.223 1.00 13.21 C ATOM 750 CD ARG A 760 15.724 -19.982 -6.195 1.00 30.33 C ATOM 751 NE ARG A 760 16.827 -19.464 -7.000 1.00 43.23 N ATOM 752 CZ ARG A 760 17.949 -20.147 -7.281 1.00 51.00 C ATOM 753 NH1 ARG A 760 18.141 -21.364 -6.772 1.00 23.11 N ATOM 754 NH2 ARG A 760 18.877 -19.607 -8.061 1.00 3.11 N ATOM 0 H ARG A 760 11.507 -19.343 -9.193 1.00 12.33 H new ATOM 0 HA ARG A 760 11.982 -18.986 -7.093 1.00 34.12 H new ATOM 0 HB2 ARG A 760 14.074 -19.858 -8.148 1.00 53.42 H new ATOM 0 HB3 ARG A 760 14.689 -18.217 -8.159 1.00 53.42 H new ATOM 0 HG2 ARG A 760 14.775 -18.105 -5.798 1.00 13.21 H new ATOM 0 HG3 ARG A 760 13.725 -19.495 -5.602 1.00 13.21 H new ATOM 0 HD2 ARG A 760 16.057 -20.108 -5.165 1.00 30.33 H new ATOM 0 HD3 ARG A 760 15.442 -20.969 -6.562 1.00 30.33 H new ATOM 0 HE ARG A 760 16.739 -18.519 -7.374 1.00 43.23 H new ATOM 0 HH11 ARG A 760 17.434 -21.781 -6.166 1.00 23.11 H new ATOM 0 HH12 ARG A 760 18.995 -21.878 -6.988 1.00 23.11 H new ATOM 0 HH21 ARG A 760 18.738 -18.673 -8.447 1.00 3.11 H new ATOM 0 HH22 ARG A 760 19.729 -20.126 -8.274 1.00 3.11 H new ATOM 768 N GLY A 761 11.277 -16.625 -6.848 1.00 30.33 N ATOM 769 CA GLY A 761 10.995 -15.339 -6.335 1.00 34.31 C ATOM 770 C GLY A 761 9.580 -14.973 -6.588 1.00 44.04 C ATOM 771 O GLY A 761 8.967 -14.223 -5.814 1.00 55.31 O ATOM 0 H GLY A 761 10.469 -17.246 -6.903 1.00 30.33 H new ATOM 0 HA2 GLY A 761 11.196 -15.317 -5.264 1.00 34.31 H new ATOM 0 HA3 GLY A 761 11.654 -14.605 -6.798 1.00 34.31 H new ATOM 775 N THR A 762 9.043 -15.500 -7.651 1.00 41.53 N ATOM 776 CA THR A 762 7.685 -15.275 -7.990 1.00 24.22 C ATOM 777 C THR A 762 6.951 -16.616 -8.093 1.00 51.50 C ATOM 778 O THR A 762 5.746 -16.665 -7.783 1.00 53.02 O ATOM 779 CB THR A 762 7.570 -14.484 -9.324 1.00 10.30 C ATOM 780 OG1 THR A 762 6.180 -14.212 -9.647 1.00 72.25 O ATOM 781 CG2 THR A 762 8.212 -15.255 -10.446 1.00 32.01 C ATOM 782 OXT THR A 762 7.603 -17.625 -8.449 1.00 37.77 O ATOM 0 H THR A 762 9.546 -16.100 -8.305 1.00 41.53 H new ATOM 0 HA THR A 762 7.222 -14.675 -7.206 1.00 24.22 H new ATOM 0 HB THR A 762 8.090 -13.534 -9.199 1.00 10.30 H new ATOM 0 HG1 THR A 762 6.131 -13.712 -10.489 1.00 72.25 H new ATOM 0 HG21 THR A 762 8.124 -14.689 -11.373 1.00 32.01 H new ATOM 0 HG22 THR A 762 9.266 -15.418 -10.219 1.00 32.01 H new ATOM 0 HG23 THR A 762 7.712 -16.217 -10.559 1.00 32.01 H new