USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2573 ASN : amide:sc= 0.0927 K(o=0.093,f=-7.3!) USER MOD Single : A2578 THR OG1 : rot 180:sc= 0 USER MOD Single : A2587 LYS NZ :NH3+ -133:sc= 1.25 (180deg=0.348) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2596 LYS NZ :NH3+ -167:sc= -0.0644 (180deg=-0.302) USER MOD Single : A2598 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2600 THR OG1 : rot -170:sc= 0.0993 USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot -2:sc= 0.282 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.692 -1.721 1.962 1.00 0.00 N ATOM 33 CA PRO A2565 4.375 -2.367 1.901 1.00 0.00 C ATOM 34 C PRO A2565 3.598 -2.177 3.208 1.00 0.00 C ATOM 35 O PRO A2565 2.360 -2.160 3.224 1.00 0.00 O ATOM 36 CB PRO A2565 4.713 -3.851 1.707 1.00 0.00 C ATOM 37 CG PRO A2565 6.127 -3.996 2.146 1.00 0.00 C ATOM 38 CD PRO A2565 6.787 -2.699 1.817 1.00 0.00 C ATOM 0 HA PRO A2565 3.748 -1.953 1.112 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.052 -4.485 2.298 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.593 -4.148 0.665 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.186 -4.205 3.214 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.614 -4.825 1.631 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.613 -2.483 2.495 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.196 -2.700 0.807 1.00 0.00 H new ATOM 46 N ASP A2566 4.348 -2.015 4.285 1.00 0.00 N ATOM 47 CA ASP A2566 3.807 -1.850 5.628 1.00 0.00 C ATOM 48 C ASP A2566 3.224 -0.457 5.816 1.00 0.00 C ATOM 49 O ASP A2566 2.282 -0.271 6.579 1.00 0.00 O ATOM 50 CB ASP A2566 4.928 -2.091 6.649 1.00 0.00 C ATOM 51 CG ASP A2566 4.491 -1.960 8.097 1.00 0.00 C ATOM 52 OD1 ASP A2566 3.961 -2.955 8.673 1.00 0.00 O ATOM 53 OD2 ASP A2566 4.699 -0.879 8.700 1.00 0.00 O ATOM 0 H ASP A2566 5.367 -1.994 4.252 1.00 0.00 H new ATOM 0 HA ASP A2566 3.004 -2.572 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A2566 5.337 -3.089 6.494 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.735 -1.383 6.459 1.00 0.00 H new ATOM 58 N THR A2567 3.762 0.500 5.087 1.00 0.00 N ATOM 59 CA THR A2567 3.359 1.887 5.185 1.00 0.00 C ATOM 60 C THR A2567 1.885 2.071 4.751 1.00 0.00 C ATOM 61 O THR A2567 1.407 1.389 3.834 1.00 0.00 O ATOM 62 CB THR A2567 4.310 2.746 4.330 1.00 0.00 C ATOM 63 OG1 THR A2567 5.664 2.481 4.738 1.00 0.00 O ATOM 64 CG2 THR A2567 4.039 4.221 4.510 1.00 0.00 C ATOM 0 H THR A2567 4.500 0.334 4.402 1.00 0.00 H new ATOM 0 HA THR A2567 3.424 2.211 6.224 1.00 0.00 H new ATOM 0 HB THR A2567 4.152 2.489 3.283 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.280 3.021 4.200 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.729 4.796 3.892 1.00 0.00 H new ATOM 0 HG22 THR A2567 3.014 4.442 4.212 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.178 4.491 5.557 1.00 0.00 H new ATOM 72 N ARG A2568 1.183 2.955 5.440 1.00 0.00 N ATOM 73 CA ARG A2568 -0.228 3.205 5.206 1.00 0.00 C ATOM 74 C ARG A2568 -0.428 4.215 4.083 1.00 0.00 C ATOM 75 O ARG A2568 0.229 5.265 4.056 1.00 0.00 O ATOM 76 CB ARG A2568 -0.878 3.724 6.486 1.00 0.00 C ATOM 77 CG ARG A2568 -0.827 2.759 7.658 1.00 0.00 C ATOM 78 CD ARG A2568 -1.619 1.503 7.364 1.00 0.00 C ATOM 79 NE ARG A2568 -1.579 0.539 8.478 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.616 -0.231 8.865 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.822 -0.050 8.329 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.449 -1.158 9.808 1.00 0.00 N ATOM 0 H ARG A2568 1.582 3.525 6.186 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.696 2.267 4.909 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.387 4.653 6.776 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.920 3.966 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.209 2.497 7.873 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.225 3.243 8.550 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.655 1.771 7.156 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -1.225 1.031 6.464 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.704 0.448 8.994 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.963 0.673 7.623 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -4.604 -0.634 8.624 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.534 -1.287 10.240 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -3.236 -1.738 10.098 1.00 0.00 H new ATOM 96 N ILE A2569 -1.343 3.908 3.189 1.00 0.00 N ATOM 97 CA ILE A2569 -1.639 4.748 2.051 1.00 0.00 C ATOM 98 C ILE A2569 -2.971 5.462 2.274 1.00 0.00 C ATOM 99 O ILE A2569 -4.035 4.840 2.223 1.00 0.00 O ATOM 100 CB ILE A2569 -1.740 3.922 0.748 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.479 3.075 0.543 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.959 4.853 -0.454 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.779 3.866 0.248 1.00 0.00 C ATOM 0 H ILE A2569 -1.907 3.060 3.233 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.826 5.467 1.950 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.593 3.249 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.312 2.475 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.655 2.380 -0.278 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.029 4.260 -1.366 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.883 5.415 -0.315 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.121 5.546 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.617 3.181 0.118 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.639 4.445 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.987 4.541 1.078 1.00 0.00 H new ATOM 115 N PRO A2570 -2.926 6.754 2.564 1.00 0.00 N ATOM 116 CA PRO A2570 -4.122 7.553 2.801 1.00 0.00 C ATOM 117 C PRO A2570 -4.969 7.776 1.532 1.00 0.00 C ATOM 118 O PRO A2570 -4.645 8.612 0.672 1.00 0.00 O ATOM 119 CB PRO A2570 -3.575 8.872 3.340 1.00 0.00 C ATOM 120 CG PRO A2570 -2.165 8.936 2.863 1.00 0.00 C ATOM 121 CD PRO A2570 -1.692 7.535 2.704 1.00 0.00 C ATOM 0 HA PRO A2570 -4.805 7.053 3.487 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.154 9.718 2.971 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.624 8.903 4.428 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.103 9.473 1.917 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.541 9.474 3.577 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.051 7.428 1.829 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.111 7.210 3.567 1.00 0.00 H new ATOM 129 N VAL A2571 -6.037 7.028 1.417 1.00 0.00 N ATOM 130 CA VAL A2571 -6.922 7.111 0.273 1.00 0.00 C ATOM 131 C VAL A2571 -8.326 7.512 0.698 1.00 0.00 C ATOM 132 O VAL A2571 -8.667 7.463 1.880 1.00 0.00 O ATOM 133 CB VAL A2571 -6.980 5.789 -0.545 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.625 5.449 -1.129 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.484 4.635 0.304 1.00 0.00 C ATOM 0 H VAL A2571 -6.322 6.340 2.114 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.504 7.880 -0.376 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.683 5.947 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.696 4.520 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.301 6.253 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.901 5.328 -0.323 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.513 3.726 -0.297 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.815 4.488 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.486 4.861 0.667 1.00 0.00 H new ATOM 145 N ILE A2572 -9.124 7.900 -0.255 1.00 0.00 N ATOM 146 CA ILE A2572 -10.472 8.324 -0.012 1.00 0.00 C ATOM 147 C ILE A2572 -11.410 7.692 -1.053 1.00 0.00 C ATOM 148 O ILE A2572 -11.033 7.481 -2.210 1.00 0.00 O ATOM 149 CB ILE A2572 -10.588 9.896 -0.027 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.050 10.349 0.182 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.003 10.493 -1.312 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.270 11.841 0.116 1.00 0.00 C ATOM 0 H ILE A2572 -8.852 7.931 -1.238 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.769 7.987 0.981 1.00 0.00 H new ATOM 0 HB ILE A2572 -9.997 10.274 0.807 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.674 9.871 -0.573 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.391 9.989 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.101 11.578 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -8.949 10.225 -1.391 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.542 10.100 -2.174 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.326 12.060 0.274 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -11.678 12.331 0.889 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -11.965 12.211 -0.863 1.00 0.00 H new ATOM 164 N ASN A2573 -12.590 7.354 -0.640 1.00 0.00 N ATOM 165 CA ASN A2573 -13.584 6.803 -1.532 1.00 0.00 C ATOM 166 C ASN A2573 -14.584 7.901 -1.790 1.00 0.00 C ATOM 167 O ASN A2573 -15.250 8.345 -0.863 1.00 0.00 O ATOM 168 CB ASN A2573 -14.312 5.648 -0.853 1.00 0.00 C ATOM 169 CG ASN A2573 -15.212 4.838 -1.776 1.00 0.00 C ATOM 170 OD1 ASN A2573 -15.751 5.346 -2.747 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.404 3.586 -1.453 1.00 0.00 N ATOM 0 H ASN A2573 -12.901 7.449 0.327 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.118 6.441 -2.449 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.573 4.981 -0.409 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.914 6.045 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.020 3.002 -2.019 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -14.938 3.193 -0.635 1.00 0.00 H new ATOM 178 N LEU A2574 -14.694 8.343 -3.016 1.00 0.00 N ATOM 179 CA LEU A2574 -15.611 9.436 -3.332 1.00 0.00 C ATOM 180 C LEU A2574 -17.058 8.963 -3.304 1.00 0.00 C ATOM 181 O LEU A2574 -17.963 9.724 -2.974 1.00 0.00 O ATOM 182 CB LEU A2574 -15.297 10.058 -4.695 1.00 0.00 C ATOM 183 CG LEU A2574 -13.896 10.654 -4.880 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.775 11.283 -6.254 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.586 11.681 -3.798 1.00 0.00 C ATOM 0 H LEU A2574 -14.172 7.976 -3.812 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.473 10.199 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.444 9.294 -5.458 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -16.028 10.844 -4.886 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.169 9.846 -4.793 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.777 11.703 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.944 10.524 -7.018 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.517 12.075 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.586 12.086 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.316 12.489 -3.844 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.634 11.204 -2.819 1.00 0.00 H new ATOM 197 N GLU A2575 -17.255 7.702 -3.604 1.00 0.00 N ATOM 198 CA GLU A2575 -18.584 7.135 -3.682 1.00 0.00 C ATOM 199 C GLU A2575 -19.183 7.011 -2.289 1.00 0.00 C ATOM 200 O GLU A2575 -20.287 7.480 -2.031 1.00 0.00 O ATOM 201 CB GLU A2575 -18.519 5.766 -4.347 1.00 0.00 C ATOM 202 CG GLU A2575 -17.758 5.760 -5.664 1.00 0.00 C ATOM 203 CD GLU A2575 -18.328 6.714 -6.673 1.00 0.00 C ATOM 204 OE1 GLU A2575 -19.480 6.523 -7.093 1.00 0.00 O ATOM 205 OE2 GLU A2575 -17.643 7.688 -7.047 1.00 0.00 O ATOM 0 H GLU A2575 -16.504 7.041 -3.801 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.218 7.792 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.047 5.061 -3.662 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.534 5.409 -4.523 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -16.716 6.018 -5.477 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -17.768 4.752 -6.079 1.00 0.00 H new ATOM 212 N ASP A2576 -18.432 6.408 -1.396 1.00 0.00 N ATOM 213 CA ASP A2576 -18.865 6.210 -0.010 1.00 0.00 C ATOM 214 C ASP A2576 -18.718 7.474 0.786 1.00 0.00 C ATOM 215 O ASP A2576 -19.518 7.765 1.658 1.00 0.00 O ATOM 216 CB ASP A2576 -18.065 5.091 0.675 1.00 0.00 C ATOM 217 CG ASP A2576 -18.474 3.692 0.272 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.654 3.428 -0.925 1.00 0.00 O ATOM 219 OD2 ASP A2576 -18.571 2.820 1.158 1.00 0.00 O ATOM 0 H ASP A2576 -17.503 6.037 -1.598 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.916 5.924 -0.045 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -17.007 5.226 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.175 5.191 1.755 1.00 0.00 H new ATOM 224 N GLY A2577 -17.682 8.220 0.487 1.00 0.00 N ATOM 225 CA GLY A2577 -17.398 9.423 1.224 1.00 0.00 C ATOM 226 C GLY A2577 -16.433 9.135 2.354 1.00 0.00 C ATOM 227 O GLY A2577 -16.031 10.036 3.106 1.00 0.00 O ATOM 0 H GLY A2577 -17.022 8.013 -0.263 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.973 10.174 0.557 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.323 9.839 1.624 1.00 0.00 H new ATOM 231 N THR A2578 -16.059 7.876 2.463 1.00 0.00 N ATOM 232 CA THR A2578 -15.155 7.422 3.480 1.00 0.00 C ATOM 233 C THR A2578 -13.737 7.914 3.140 1.00 0.00 C ATOM 234 O THR A2578 -13.401 8.095 1.954 1.00 0.00 O ATOM 235 CB THR A2578 -15.208 5.857 3.611 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.570 5.412 4.805 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.550 5.169 2.438 1.00 0.00 C ATOM 0 H THR A2578 -16.382 7.138 1.837 1.00 0.00 H new ATOM 0 HA THR A2578 -15.449 7.833 4.446 1.00 0.00 H new ATOM 0 HB THR A2578 -16.265 5.594 3.636 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.621 4.435 4.859 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.609 4.089 2.570 1.00 0.00 H new ATOM 0 HG22 THR A2578 -15.061 5.451 1.517 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.504 5.470 2.379 1.00 0.00 H new ATOM 245 N ARG A2579 -12.921 8.114 4.139 1.00 0.00 N ATOM 246 CA ARG A2579 -11.617 8.659 3.946 1.00 0.00 C ATOM 247 C ARG A2579 -10.743 7.967 4.928 1.00 0.00 C ATOM 248 O ARG A2579 -11.012 7.987 6.127 1.00 0.00 O ATOM 249 CB ARG A2579 -11.628 10.177 4.204 1.00 0.00 C ATOM 250 CG ARG A2579 -10.332 10.869 3.818 1.00 0.00 C ATOM 251 CD ARG A2579 -10.351 12.375 4.102 1.00 0.00 C ATOM 252 NE ARG A2579 -11.489 13.081 3.465 1.00 0.00 N ATOM 253 CZ ARG A2579 -11.382 14.078 2.558 1.00 0.00 C ATOM 254 NH1 ARG A2579 -10.217 14.366 2.005 1.00 0.00 N ATOM 255 NH2 ARG A2579 -12.466 14.743 2.167 1.00 0.00 N ATOM 0 H ARG A2579 -13.148 7.901 5.110 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.264 8.513 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.450 10.626 3.646 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.825 10.356 5.261 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.506 10.412 4.363 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.142 10.707 2.757 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -10.392 12.533 5.180 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -9.418 12.815 3.751 1.00 0.00 H new ATOM 0 HE ARG A2579 -12.429 12.791 3.733 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -9.385 13.834 2.261 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -10.149 15.121 1.322 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -13.379 14.501 2.552 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -12.384 15.495 1.483 1.00 0.00 H new ATOM 269 N LEU A2580 -9.717 7.363 4.456 1.00 0.00 N ATOM 270 CA LEU A2580 -8.921 6.544 5.291 1.00 0.00 C ATOM 271 C LEU A2580 -7.514 7.046 5.277 1.00 0.00 C ATOM 272 O LEU A2580 -6.778 6.846 4.315 1.00 0.00 O ATOM 273 CB LEU A2580 -8.979 5.060 4.844 1.00 0.00 C ATOM 274 CG LEU A2580 -10.375 4.399 4.669 1.00 0.00 C ATOM 275 CD1 LEU A2580 -11.310 4.642 5.842 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.010 4.735 3.323 1.00 0.00 C ATOM 0 H LEU A2580 -9.406 7.421 3.486 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.312 6.592 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.450 4.978 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.421 4.471 5.572 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.197 3.324 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -12.266 4.153 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -10.867 4.234 6.751 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -11.469 5.713 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.983 4.250 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -11.135 5.815 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.366 4.381 2.518 1.00 0.00 H new ATOM 288 N VAL A2581 -7.159 7.743 6.310 1.00 0.00 N ATOM 289 CA VAL A2581 -5.840 8.283 6.447 1.00 0.00 C ATOM 290 C VAL A2581 -5.270 7.804 7.773 1.00 0.00 C ATOM 291 O VAL A2581 -6.032 7.500 8.701 1.00 0.00 O ATOM 292 CB VAL A2581 -5.834 9.851 6.373 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.418 10.346 5.043 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.591 10.467 7.539 1.00 0.00 C ATOM 0 H VAL A2581 -7.781 7.956 7.090 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.223 7.934 5.618 1.00 0.00 H new ATOM 0 HB VAL A2581 -4.794 10.171 6.435 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.401 11.436 5.021 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.823 9.957 4.217 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.446 9.998 4.945 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.566 11.554 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.626 10.125 7.522 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.124 10.164 8.476 1.00 0.00 H new ATOM 304 N GLY A2582 -3.968 7.670 7.850 1.00 0.00 N ATOM 305 CA GLY A2582 -3.357 7.232 9.076 1.00 0.00 C ATOM 306 C GLY A2582 -3.506 5.743 9.266 1.00 0.00 C ATOM 307 O GLY A2582 -3.312 4.978 8.330 1.00 0.00 O ATOM 0 H GLY A2582 -3.319 7.856 7.086 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.299 7.495 9.071 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.812 7.755 9.918 1.00 0.00 H new ATOM 311 N GLU A2583 -3.887 5.339 10.457 1.00 0.00 N ATOM 312 CA GLU A2583 -4.058 3.926 10.800 1.00 0.00 C ATOM 313 C GLU A2583 -5.236 3.344 10.042 1.00 0.00 C ATOM 314 O GLU A2583 -5.290 2.157 9.766 1.00 0.00 O ATOM 315 CB GLU A2583 -4.328 3.732 12.306 1.00 0.00 C ATOM 316 CG GLU A2583 -3.420 4.500 13.256 1.00 0.00 C ATOM 317 CD GLU A2583 -3.819 5.949 13.395 1.00 0.00 C ATOM 318 OE1 GLU A2583 -4.694 6.255 14.229 1.00 0.00 O ATOM 319 OE2 GLU A2583 -3.302 6.798 12.655 1.00 0.00 O ATOM 0 H GLU A2583 -4.091 5.977 11.226 1.00 0.00 H new ATOM 0 HA GLU A2583 -3.131 3.420 10.531 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -5.359 4.021 12.509 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -4.244 2.670 12.535 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -3.442 4.025 14.237 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -2.393 4.443 12.897 1.00 0.00 H new ATOM 326 N ASP A2584 -6.171 4.207 9.711 1.00 0.00 N ATOM 327 CA ASP A2584 -7.404 3.826 9.031 1.00 0.00 C ATOM 328 C ASP A2584 -7.127 3.518 7.584 1.00 0.00 C ATOM 329 O ASP A2584 -7.897 2.819 6.921 1.00 0.00 O ATOM 330 CB ASP A2584 -8.423 4.965 9.121 1.00 0.00 C ATOM 331 CG ASP A2584 -8.715 5.367 10.542 1.00 0.00 C ATOM 332 OD1 ASP A2584 -7.991 6.213 11.094 1.00 0.00 O ATOM 333 OD2 ASP A2584 -9.671 4.840 11.141 1.00 0.00 O ATOM 0 H ASP A2584 -6.102 5.206 9.906 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.808 2.937 9.516 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.047 5.829 8.573 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.350 4.658 8.636 1.00 0.00 H new ATOM 338 N ALA A2585 -6.019 4.031 7.105 1.00 0.00 N ATOM 339 CA ALA A2585 -5.608 3.860 5.743 1.00 0.00 C ATOM 340 C ALA A2585 -5.138 2.437 5.514 1.00 0.00 C ATOM 341 O ALA A2585 -4.563 1.813 6.418 1.00 0.00 O ATOM 342 CB ALA A2585 -4.502 4.839 5.424 1.00 0.00 C ATOM 0 H ALA A2585 -5.372 4.587 7.664 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.454 4.052 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.189 4.709 4.388 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.864 5.857 5.569 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.654 4.658 6.085 1.00 0.00 H new ATOM 348 N PRO A2586 -5.415 1.880 4.344 1.00 0.00 N ATOM 349 CA PRO A2586 -4.953 0.553 3.997 1.00 0.00 C ATOM 350 C PRO A2586 -3.427 0.536 3.837 1.00 0.00 C ATOM 351 O PRO A2586 -2.809 1.570 3.531 1.00 0.00 O ATOM 352 CB PRO A2586 -5.652 0.244 2.661 1.00 0.00 C ATOM 353 CG PRO A2586 -6.053 1.570 2.103 1.00 0.00 C ATOM 354 CD PRO A2586 -6.215 2.501 3.272 1.00 0.00 C ATOM 0 HA PRO A2586 -5.185 -0.186 4.764 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.982 -0.282 1.980 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.521 -0.397 2.812 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.297 1.944 1.413 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.984 1.488 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.855 3.503 3.036 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.261 2.598 3.562 1.00 0.00 H new ATOM 362 N LYS A2587 -2.816 -0.599 4.082 1.00 0.00 N ATOM 363 CA LYS A2587 -1.388 -0.718 3.940 1.00 0.00 C ATOM 364 C LYS A2587 -1.053 -0.770 2.461 1.00 0.00 C ATOM 365 O LYS A2587 -1.866 -1.224 1.666 1.00 0.00 O ATOM 366 CB LYS A2587 -0.864 -1.975 4.665 1.00 0.00 C ATOM 367 CG LYS A2587 -1.275 -2.052 6.136 1.00 0.00 C ATOM 368 CD LYS A2587 -0.590 -3.188 6.903 1.00 0.00 C ATOM 369 CE LYS A2587 -0.910 -4.585 6.361 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.342 -4.941 6.438 1.00 0.00 N ATOM 0 H LYS A2587 -3.288 -1.453 4.381 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.903 0.144 4.397 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.231 -2.861 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.224 -1.995 4.599 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -1.041 -1.104 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.355 -2.183 6.197 1.00 0.00 H new ATOM 0 HD2 LYS A2587 0.489 -3.035 6.872 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.889 -3.138 7.950 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -0.586 -4.644 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -0.332 -5.322 6.918 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -2.441 -5.897 6.835 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -2.837 -4.259 7.048 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -2.757 -4.917 5.485 1.00 0.00 H new ATOM 384 N ASN A2588 0.116 -0.299 2.101 1.00 0.00 N ATOM 385 CA ASN A2588 0.585 -0.255 0.694 1.00 0.00 C ATOM 386 C ASN A2588 0.520 -1.641 0.028 1.00 0.00 C ATOM 387 O ASN A2588 0.274 -1.773 -1.172 1.00 0.00 O ATOM 388 CB ASN A2588 2.011 0.327 0.648 1.00 0.00 C ATOM 389 CG ASN A2588 2.596 0.486 -0.758 1.00 0.00 C ATOM 390 OD1 ASN A2588 1.889 0.679 -1.737 1.00 0.00 O ATOM 391 ND2 ASN A2588 3.901 0.434 -0.853 1.00 0.00 N ATOM 0 H ASN A2588 0.793 0.074 2.767 1.00 0.00 H new ATOM 0 HA ASN A2588 -0.081 0.393 0.124 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.006 1.301 1.136 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.670 -0.318 1.229 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.352 0.556 -1.760 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.467 0.272 -0.020 1.00 0.00 H new ATOM 398 N LYS A2589 0.695 -2.668 0.819 1.00 0.00 N ATOM 399 CA LYS A2589 0.590 -4.039 0.336 1.00 0.00 C ATOM 400 C LYS A2589 -0.868 -4.430 0.022 1.00 0.00 C ATOM 401 O LYS A2589 -1.118 -5.246 -0.863 1.00 0.00 O ATOM 402 CB LYS A2589 1.202 -4.998 1.345 1.00 0.00 C ATOM 403 CG LYS A2589 0.636 -4.861 2.754 1.00 0.00 C ATOM 404 CD LYS A2589 1.364 -5.747 3.739 1.00 0.00 C ATOM 405 CE LYS A2589 1.134 -7.210 3.459 1.00 0.00 C ATOM 406 NZ LYS A2589 1.860 -8.057 4.420 1.00 0.00 N ATOM 0 H LYS A2589 0.913 -2.589 1.812 1.00 0.00 H new ATOM 0 HA LYS A2589 1.147 -4.106 -0.599 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.046 -6.020 1.000 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.279 -4.834 1.380 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.709 -3.822 3.076 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.423 -5.118 2.747 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.432 -5.534 3.698 1.00 0.00 H new ATOM 0 HD3 LYS A2589 1.031 -5.515 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.068 -7.429 3.510 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.459 -7.444 2.445 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 1.683 -9.059 4.203 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 2.880 -7.863 4.353 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 1.531 -7.849 5.384 1.00 0.00 H new ATOM 420 N ASP A2590 -1.809 -3.838 0.745 1.00 0.00 N ATOM 421 CA ASP A2590 -3.250 -4.109 0.558 1.00 0.00 C ATOM 422 C ASP A2590 -3.833 -3.185 -0.474 1.00 0.00 C ATOM 423 O ASP A2590 -4.885 -3.469 -1.042 1.00 0.00 O ATOM 424 CB ASP A2590 -4.066 -3.898 1.841 1.00 0.00 C ATOM 425 CG ASP A2590 -3.705 -4.788 2.992 1.00 0.00 C ATOM 426 OD1 ASP A2590 -4.057 -5.984 2.970 1.00 0.00 O ATOM 427 OD2 ASP A2590 -3.097 -4.292 3.972 1.00 0.00 O ATOM 0 H ASP A2590 -1.609 -3.157 1.478 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.312 -5.153 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.951 -2.861 2.157 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.121 -4.045 1.608 1.00 0.00 H new ATOM 432 N LEU A2591 -3.146 -2.075 -0.696 1.00 0.00 N ATOM 433 CA LEU A2591 -3.559 -1.012 -1.608 1.00 0.00 C ATOM 434 C LEU A2591 -3.990 -1.564 -2.956 1.00 0.00 C ATOM 435 O LEU A2591 -5.065 -1.258 -3.438 1.00 0.00 O ATOM 436 CB LEU A2591 -2.401 -0.035 -1.805 1.00 0.00 C ATOM 437 CG LEU A2591 -2.667 1.158 -2.726 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.697 2.092 -2.117 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.379 1.889 -3.060 1.00 0.00 C ATOM 0 H LEU A2591 -2.258 -1.880 -0.234 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.414 -0.501 -1.165 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -2.106 0.347 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.550 -0.589 -2.201 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.078 0.779 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.869 2.932 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.632 1.553 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.331 2.463 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.598 2.732 -3.716 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.919 2.254 -2.142 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.693 1.207 -3.563 1.00 0.00 H new ATOM 451 N VAL A2592 -3.164 -2.410 -3.518 1.00 0.00 N ATOM 452 CA VAL A2592 -3.421 -3.014 -4.819 1.00 0.00 C ATOM 453 C VAL A2592 -4.769 -3.767 -4.854 1.00 0.00 C ATOM 454 O VAL A2592 -5.511 -3.682 -5.830 1.00 0.00 O ATOM 455 CB VAL A2592 -2.259 -3.954 -5.230 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.000 -3.145 -5.503 1.00 0.00 C ATOM 457 CG2 VAL A2592 -1.987 -4.963 -4.124 1.00 0.00 C ATOM 0 H VAL A2592 -2.287 -2.707 -3.090 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.485 -2.201 -5.543 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.546 -4.485 -6.138 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.191 -3.817 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.190 -2.438 -6.311 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.716 -2.599 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.169 -5.619 -4.423 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.714 -4.436 -3.210 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -2.883 -5.558 -3.946 1.00 0.00 H new ATOM 467 N GLU A2593 -5.087 -4.454 -3.769 1.00 0.00 N ATOM 468 CA GLU A2593 -6.314 -5.188 -3.657 1.00 0.00 C ATOM 469 C GLU A2593 -7.470 -4.241 -3.454 1.00 0.00 C ATOM 470 O GLU A2593 -8.498 -4.373 -4.086 1.00 0.00 O ATOM 471 CB GLU A2593 -6.224 -6.181 -2.517 1.00 0.00 C ATOM 472 CG GLU A2593 -5.193 -7.263 -2.754 1.00 0.00 C ATOM 473 CD GLU A2593 -5.095 -8.239 -1.623 1.00 0.00 C ATOM 474 OE1 GLU A2593 -5.835 -9.249 -1.620 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.259 -8.052 -0.738 1.00 0.00 O ATOM 0 H GLU A2593 -4.491 -4.512 -2.943 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.484 -5.741 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -5.979 -5.649 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.200 -6.643 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.443 -7.800 -3.669 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.219 -6.800 -2.912 1.00 0.00 H new ATOM 482 N TRP A2594 -7.256 -3.253 -2.601 1.00 0.00 N ATOM 483 CA TRP A2594 -8.258 -2.242 -2.264 1.00 0.00 C ATOM 484 C TRP A2594 -8.705 -1.522 -3.548 1.00 0.00 C ATOM 485 O TRP A2594 -9.881 -1.236 -3.746 1.00 0.00 O ATOM 486 CB TRP A2594 -7.637 -1.238 -1.279 1.00 0.00 C ATOM 487 CG TRP A2594 -8.625 -0.526 -0.408 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.084 -0.963 0.792 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.262 0.744 -0.639 1.00 0.00 C ATOM 490 NE1 TRP A2594 -9.962 -0.064 1.321 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.096 0.990 0.469 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.218 1.692 -1.666 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.872 2.137 0.581 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.993 2.828 -1.544 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.808 3.041 -0.432 1.00 0.00 C ATOM 0 H TRP A2594 -6.370 -3.124 -2.113 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.127 -2.710 -1.802 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -6.926 -1.765 -0.643 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.071 -0.498 -1.844 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -8.795 -1.892 1.262 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.443 -0.165 2.215 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.593 1.539 -2.533 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.503 2.304 1.441 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.968 3.570 -2.329 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.400 3.942 -0.375 1.00 0.00 H new ATOM 506 N LEU A2595 -7.748 -1.299 -4.428 1.00 0.00 N ATOM 507 CA LEU A2595 -7.972 -0.652 -5.729 1.00 0.00 C ATOM 508 C LEU A2595 -8.799 -1.512 -6.656 1.00 0.00 C ATOM 509 O LEU A2595 -9.558 -1.000 -7.479 1.00 0.00 O ATOM 510 CB LEU A2595 -6.638 -0.312 -6.382 1.00 0.00 C ATOM 511 CG LEU A2595 -6.003 1.036 -6.020 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.189 1.388 -4.548 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.528 1.004 -6.369 1.00 0.00 C ATOM 0 H LEU A2595 -6.776 -1.562 -4.268 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.532 0.265 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.928 -1.099 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.774 -0.342 -7.463 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.508 1.810 -6.597 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.722 2.351 -4.342 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.253 1.445 -4.319 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.725 0.620 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.073 1.961 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.039 0.208 -5.808 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.411 0.820 -7.437 1.00 0.00 H new ATOM 525 N LYS A2596 -8.633 -2.811 -6.547 1.00 0.00 N ATOM 526 CA LYS A2596 -9.406 -3.741 -7.357 1.00 0.00 C ATOM 527 C LYS A2596 -10.866 -3.736 -6.925 1.00 0.00 C ATOM 528 O LYS A2596 -11.767 -3.885 -7.745 1.00 0.00 O ATOM 529 CB LYS A2596 -8.837 -5.158 -7.283 1.00 0.00 C ATOM 530 CG LYS A2596 -7.417 -5.271 -7.787 1.00 0.00 C ATOM 531 CD LYS A2596 -6.935 -6.710 -7.786 1.00 0.00 C ATOM 532 CE LYS A2596 -5.521 -6.819 -8.334 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.411 -6.316 -9.730 1.00 0.00 N ATOM 0 H LYS A2596 -7.972 -3.252 -5.908 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.341 -3.409 -8.393 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -8.874 -5.501 -6.249 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.473 -5.826 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.356 -4.867 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -6.760 -4.666 -7.162 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -6.965 -7.105 -6.771 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.608 -7.322 -8.386 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -4.842 -6.256 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.201 -7.860 -8.300 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.498 -6.609 -10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.185 -6.709 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.473 -5.278 -9.731 1.00 0.00 H new ATOM 547 N LEU A2597 -11.088 -3.557 -5.644 1.00 0.00 N ATOM 548 CA LEU A2597 -12.425 -3.509 -5.101 1.00 0.00 C ATOM 549 C LEU A2597 -13.060 -2.139 -5.276 1.00 0.00 C ATOM 550 O LEU A2597 -14.273 -2.043 -5.474 1.00 0.00 O ATOM 551 CB LEU A2597 -12.461 -3.938 -3.622 1.00 0.00 C ATOM 552 CG LEU A2597 -12.350 -5.450 -3.304 1.00 0.00 C ATOM 553 CD1 LEU A2597 -13.496 -6.228 -3.914 1.00 0.00 C ATOM 554 CD2 LEU A2597 -11.027 -6.043 -3.741 1.00 0.00 C ATOM 0 H LEU A2597 -10.349 -3.441 -4.951 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.015 -4.226 -5.672 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.649 -3.427 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.393 -3.573 -3.190 1.00 0.00 H new ATOM 0 HG LEU A2597 -12.404 -5.535 -2.219 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -13.388 -7.285 -3.672 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -14.440 -5.859 -3.514 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -13.487 -6.101 -4.997 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.004 -7.104 -3.493 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -10.911 -5.919 -4.818 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -10.212 -5.533 -3.227 1.00 0.00 H new ATOM 566 N HIS A2598 -12.258 -1.090 -5.227 1.00 0.00 N ATOM 567 CA HIS A2598 -12.779 0.269 -5.352 1.00 0.00 C ATOM 568 C HIS A2598 -12.103 1.019 -6.502 1.00 0.00 C ATOM 569 O HIS A2598 -11.172 1.791 -6.284 1.00 0.00 O ATOM 570 CB HIS A2598 -12.601 1.085 -4.048 1.00 0.00 C ATOM 571 CG HIS A2598 -13.185 0.436 -2.809 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.523 0.485 -2.449 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.572 -0.292 -1.842 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.669 -0.191 -1.309 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.514 -0.687 -0.892 1.00 0.00 N ATOM 0 H HIS A2598 -11.247 -1.147 -5.102 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.845 0.168 -5.558 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.537 1.255 -3.885 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -13.064 2.063 -4.182 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.519 -0.529 -1.812 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.609 -0.318 -0.792 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.348 -1.242 -0.052 1.00 0.00 H new ATOM 583 N PRO A2599 -12.541 0.796 -7.749 1.00 0.00 N ATOM 584 CA PRO A2599 -11.972 1.487 -8.915 1.00 0.00 C ATOM 585 C PRO A2599 -12.354 2.972 -8.925 1.00 0.00 C ATOM 586 O PRO A2599 -11.709 3.804 -9.567 1.00 0.00 O ATOM 587 CB PRO A2599 -12.619 0.765 -10.107 1.00 0.00 C ATOM 588 CG PRO A2599 -13.875 0.170 -9.568 1.00 0.00 C ATOM 589 CD PRO A2599 -13.600 -0.159 -8.129 1.00 0.00 C ATOM 0 HA PRO A2599 -10.882 1.458 -8.926 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.830 1.459 -10.921 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.959 -0.004 -10.507 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.706 0.870 -9.655 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.152 -0.725 -10.126 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.491 -0.036 -7.513 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.270 -1.191 -8.010 1.00 0.00 H new ATOM 597 N THR A2600 -13.371 3.289 -8.173 1.00 0.00 N ATOM 598 CA THR A2600 -13.943 4.604 -8.086 1.00 0.00 C ATOM 599 C THR A2600 -13.359 5.393 -6.903 1.00 0.00 C ATOM 600 O THR A2600 -13.925 6.403 -6.456 1.00 0.00 O ATOM 601 CB THR A2600 -15.447 4.431 -7.913 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.661 3.321 -7.018 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.116 4.142 -9.244 1.00 0.00 C ATOM 0 H THR A2600 -13.844 2.609 -7.578 1.00 0.00 H new ATOM 0 HA THR A2600 -13.714 5.170 -8.989 1.00 0.00 H new ATOM 0 HB THR A2600 -15.878 5.348 -7.512 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.612 3.085 -7.011 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.189 4.023 -9.094 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.936 4.970 -9.929 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.705 3.225 -9.667 1.00 0.00 H new ATOM 611 N TYR A2601 -12.212 4.971 -6.434 1.00 0.00 N ATOM 612 CA TYR A2601 -11.585 5.615 -5.303 1.00 0.00 C ATOM 613 C TYR A2601 -10.706 6.795 -5.798 1.00 0.00 C ATOM 614 O TYR A2601 -10.604 7.054 -7.005 1.00 0.00 O ATOM 615 CB TYR A2601 -10.710 4.593 -4.535 1.00 0.00 C ATOM 616 CG TYR A2601 -9.300 4.464 -5.068 1.00 0.00 C ATOM 617 CD1 TYR A2601 -9.049 4.041 -6.365 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.231 4.839 -4.282 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.777 3.990 -6.851 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.960 4.807 -4.760 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.727 4.382 -6.049 1.00 0.00 C ATOM 622 OH TYR A2601 -5.440 4.374 -6.547 1.00 0.00 O ATOM 0 H TYR A2601 -11.691 4.183 -6.817 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.355 5.997 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.665 4.885 -3.486 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.192 3.616 -4.574 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.873 3.748 -6.998 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.408 5.164 -3.267 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.593 3.645 -7.858 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -6.136 5.113 -4.132 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.819 4.679 -5.853 1.00 0.00 H new ATOM 632 N THR A2602 -10.101 7.498 -4.883 1.00 0.00 N ATOM 633 CA THR A2602 -9.153 8.544 -5.175 1.00 0.00 C ATOM 634 C THR A2602 -8.128 8.563 -4.026 1.00 0.00 C ATOM 635 O THR A2602 -8.448 8.145 -2.927 1.00 0.00 O ATOM 636 CB THR A2602 -9.892 9.910 -5.320 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.823 9.812 -6.413 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.932 11.057 -5.595 1.00 0.00 C ATOM 0 H THR A2602 -10.256 7.358 -3.885 1.00 0.00 H new ATOM 0 HA THR A2602 -8.639 8.365 -6.119 1.00 0.00 H new ATOM 0 HB THR A2602 -10.401 10.121 -4.379 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.750 8.926 -6.826 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.493 11.987 -5.688 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.222 11.142 -4.772 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.392 10.865 -6.522 1.00 0.00 H new ATOM 646 N VAL A2603 -6.904 8.944 -4.276 1.00 0.00 N ATOM 647 CA VAL A2603 -5.931 8.992 -3.202 1.00 0.00 C ATOM 648 C VAL A2603 -6.006 10.351 -2.512 1.00 0.00 C ATOM 649 O VAL A2603 -6.016 11.393 -3.180 1.00 0.00 O ATOM 650 CB VAL A2603 -4.487 8.710 -3.707 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.495 8.716 -2.557 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.433 7.374 -4.425 1.00 0.00 C ATOM 0 H VAL A2603 -6.555 9.222 -5.193 1.00 0.00 H new ATOM 0 HA VAL A2603 -6.173 8.205 -2.488 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.213 9.504 -4.402 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.494 8.516 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.509 9.691 -2.069 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.769 7.945 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.417 7.189 -4.773 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.732 6.581 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -5.111 7.392 -5.278 1.00 0.00 H new ATOM 662 N ASP A2604 -6.068 10.343 -1.192 1.00 0.00 N ATOM 663 CA ASP A2604 -6.179 11.576 -0.424 1.00 0.00 C ATOM 664 C ASP A2604 -4.831 12.249 -0.402 1.00 0.00 C ATOM 665 O ASP A2604 -4.674 13.389 -0.855 1.00 0.00 O ATOM 666 CB ASP A2604 -6.660 11.297 1.008 1.00 0.00 C ATOM 667 CG ASP A2604 -6.834 12.563 1.818 1.00 0.00 C ATOM 668 OD1 ASP A2604 -7.917 13.150 1.786 1.00 0.00 O ATOM 669 OD2 ASP A2604 -5.887 13.005 2.481 1.00 0.00 O ATOM 0 H ASP A2604 -6.043 9.495 -0.626 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.916 12.227 -0.894 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.608 10.760 0.971 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -5.943 10.645 1.508 1.00 0.00 H new