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= -0.11 K(o=-0.11,f=-6.1!) USER MOD Single : A2578 THR OG1 : rot 79:sc= 1.15 USER MOD Single : A2587 LYS NZ :NH3+ 169:sc= -0.0111 (180deg=-0.312) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2596 LYS NZ :NH3+ -175:sc= -0.0144 (180deg=-0.0735) USER MOD Single : A2598 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A2600 THR OG1 : rot 180:sc= 0.145 USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot 4:sc= 0.461 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.805 -2.225 2.794 1.00 0.00 N ATOM 33 CA PRO A2565 4.501 -2.892 2.950 1.00 0.00 C ATOM 34 C PRO A2565 3.724 -2.438 4.210 1.00 0.00 C ATOM 35 O PRO A2565 2.491 -2.515 4.238 1.00 0.00 O ATOM 36 CB PRO A2565 4.873 -4.369 3.052 1.00 0.00 C ATOM 37 CG PRO A2565 6.130 -4.482 2.270 1.00 0.00 C ATOM 38 CD PRO A2565 6.883 -3.207 2.531 1.00 0.00 C ATOM 0 HA PRO A2565 3.831 -2.656 2.123 1.00 0.00 H new ATOM 0 HB2 PRO A2565 5.020 -4.672 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.090 -5.006 2.642 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.710 -5.351 2.582 1.00 0.00 H new ATOM 0 HG3 PRO A2565 5.921 -4.604 1.207 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.556 -3.304 3.383 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.492 -2.917 1.675 1.00 0.00 H new ATOM 46 N ASP A2566 4.442 -1.931 5.226 1.00 0.00 N ATOM 47 CA ASP A2566 3.795 -1.466 6.469 1.00 0.00 C ATOM 48 C ASP A2566 3.249 -0.043 6.304 1.00 0.00 C ATOM 49 O ASP A2566 2.358 0.393 7.049 1.00 0.00 O ATOM 50 CB ASP A2566 4.789 -1.532 7.645 1.00 0.00 C ATOM 51 CG ASP A2566 4.260 -0.941 8.939 1.00 0.00 C ATOM 52 OD1 ASP A2566 3.440 -1.588 9.624 1.00 0.00 O ATOM 53 OD2 ASP A2566 4.657 0.177 9.296 1.00 0.00 O ATOM 0 H ASP A2566 5.457 -1.832 5.215 1.00 0.00 H new ATOM 0 HA ASP A2566 2.954 -2.126 6.685 1.00 0.00 H new ATOM 0 HB2 ASP A2566 5.061 -2.573 7.818 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.702 -1.006 7.365 1.00 0.00 H new ATOM 58 N THR A2567 3.732 0.640 5.275 1.00 0.00 N ATOM 59 CA THR A2567 3.383 2.021 5.021 1.00 0.00 C ATOM 60 C THR A2567 1.892 2.166 4.697 1.00 0.00 C ATOM 61 O THR A2567 1.350 1.424 3.878 1.00 0.00 O ATOM 62 CB THR A2567 4.248 2.587 3.875 1.00 0.00 C ATOM 63 OG1 THR A2567 5.628 2.427 4.221 1.00 0.00 O ATOM 64 CG2 THR A2567 3.970 4.055 3.634 1.00 0.00 C ATOM 0 H THR A2567 4.379 0.245 4.593 1.00 0.00 H new ATOM 0 HA THR A2567 3.582 2.595 5.926 1.00 0.00 H new ATOM 0 HB THR A2567 4.005 2.043 2.962 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.189 2.781 3.500 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.599 4.416 2.820 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.921 4.188 3.369 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.190 4.620 4.540 1.00 0.00 H new ATOM 72 N ARG A2568 1.249 3.092 5.370 1.00 0.00 N ATOM 73 CA ARG A2568 -0.164 3.352 5.174 1.00 0.00 C ATOM 74 C ARG A2568 -0.374 4.301 4.011 1.00 0.00 C ATOM 75 O ARG A2568 0.333 5.307 3.885 1.00 0.00 O ATOM 76 CB ARG A2568 -0.778 3.957 6.431 1.00 0.00 C ATOM 77 CG ARG A2568 -0.710 3.078 7.660 1.00 0.00 C ATOM 78 CD ARG A2568 -1.441 1.776 7.442 1.00 0.00 C ATOM 79 NE ARG A2568 -1.433 0.948 8.645 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.423 0.147 9.032 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.563 0.116 8.360 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.280 -0.584 10.123 1.00 0.00 N ATOM 0 H ARG A2568 1.689 3.689 6.071 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.652 2.402 4.957 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.273 4.899 6.647 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.823 4.194 6.229 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.332 2.876 7.908 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.144 3.604 8.511 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.470 1.981 7.147 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.977 1.230 6.621 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.602 0.987 9.236 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.687 0.709 7.539 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -4.317 -0.501 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.416 -0.532 10.662 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -3.034 -1.200 10.426 1.00 0.00 H new ATOM 96 N ILE A2569 -1.336 3.994 3.181 1.00 0.00 N ATOM 97 CA ILE A2569 -1.634 4.806 2.021 1.00 0.00 C ATOM 98 C ILE A2569 -2.977 5.526 2.232 1.00 0.00 C ATOM 99 O ILE A2569 -4.035 4.898 2.165 1.00 0.00 O ATOM 100 CB ILE A2569 -1.741 3.934 0.742 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.515 3.010 0.591 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.883 4.829 -0.494 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.796 3.722 0.307 1.00 0.00 C ATOM 0 H ILE A2569 -1.937 3.176 3.286 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.825 5.526 1.895 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.627 3.306 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.404 2.427 1.505 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.709 2.303 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.957 4.208 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.782 5.439 -0.400 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.011 5.478 -0.575 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.597 2.988 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.712 4.282 -0.624 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.022 4.408 1.123 1.00 0.00 H new ATOM 115 N PRO A2570 -2.950 6.830 2.556 1.00 0.00 N ATOM 116 CA PRO A2570 -4.165 7.611 2.756 1.00 0.00 C ATOM 117 C PRO A2570 -4.959 7.832 1.456 1.00 0.00 C ATOM 118 O PRO A2570 -4.559 8.612 0.560 1.00 0.00 O ATOM 119 CB PRO A2570 -3.673 8.935 3.346 1.00 0.00 C ATOM 120 CG PRO A2570 -2.244 9.033 2.958 1.00 0.00 C ATOM 121 CD PRO A2570 -1.736 7.626 2.784 1.00 0.00 C ATOM 0 HA PRO A2570 -4.866 7.092 3.410 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.245 9.776 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.788 8.949 4.430 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.134 9.600 2.033 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.672 9.557 3.723 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.048 7.552 1.942 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.196 7.285 3.668 1.00 0.00 H new ATOM 129 N VAL A2571 -6.063 7.134 1.353 1.00 0.00 N ATOM 130 CA VAL A2571 -6.925 7.183 0.193 1.00 0.00 C ATOM 131 C VAL A2571 -8.358 7.449 0.627 1.00 0.00 C ATOM 132 O VAL A2571 -8.688 7.344 1.820 1.00 0.00 O ATOM 133 CB VAL A2571 -6.874 5.865 -0.641 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.490 5.623 -1.213 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.308 4.666 0.188 1.00 0.00 C ATOM 0 H VAL A2571 -6.395 6.505 2.084 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.565 7.992 -0.443 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.574 5.987 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.491 4.697 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.215 6.453 -1.863 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.769 5.545 -0.400 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.261 3.765 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.645 4.558 1.046 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.330 4.815 0.536 1.00 0.00 H new ATOM 145 N ILE A2572 -9.197 7.797 -0.311 1.00 0.00 N ATOM 146 CA ILE A2572 -10.573 8.066 -0.009 1.00 0.00 C ATOM 147 C ILE A2572 -11.484 7.522 -1.115 1.00 0.00 C ATOM 148 O ILE A2572 -11.128 7.550 -2.294 1.00 0.00 O ATOM 149 CB ILE A2572 -10.816 9.603 0.203 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.286 9.880 0.591 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.391 10.413 -1.030 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.637 11.343 0.767 1.00 0.00 C ATOM 0 H ILE A2572 -8.948 7.901 -1.295 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.819 7.556 0.923 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.189 9.931 1.032 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.934 9.456 -0.176 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.506 9.355 1.520 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.573 11.473 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.330 10.254 -1.222 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.968 10.088 -1.895 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.689 11.435 1.038 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.020 11.773 1.556 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.455 11.876 -0.166 1.00 0.00 H new ATOM 164 N ASN A2573 -12.611 6.990 -0.721 1.00 0.00 N ATOM 165 CA ASN A2573 -13.637 6.534 -1.641 1.00 0.00 C ATOM 166 C ASN A2573 -14.548 7.706 -1.852 1.00 0.00 C ATOM 167 O ASN A2573 -15.247 8.115 -0.928 1.00 0.00 O ATOM 168 CB ASN A2573 -14.444 5.385 -1.026 1.00 0.00 C ATOM 169 CG ASN A2573 -15.494 4.765 -1.972 1.00 0.00 C ATOM 170 OD1 ASN A2573 -16.051 5.426 -2.855 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.796 3.508 -1.765 1.00 0.00 N ATOM 0 H ASN A2573 -12.852 6.856 0.261 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.193 6.175 -2.569 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.755 4.604 -0.706 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.949 5.750 -0.132 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.506 3.053 -2.339 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -15.322 2.984 -1.030 1.00 0.00 H new ATOM 178 N LEU A2574 -14.554 8.232 -3.037 1.00 0.00 N ATOM 179 CA LEU A2574 -15.296 9.455 -3.314 1.00 0.00 C ATOM 180 C LEU A2574 -16.784 9.221 -3.461 1.00 0.00 C ATOM 181 O LEU A2574 -17.580 10.095 -3.151 1.00 0.00 O ATOM 182 CB LEU A2574 -14.750 10.192 -4.540 1.00 0.00 C ATOM 183 CG LEU A2574 -13.311 10.716 -4.448 1.00 0.00 C ATOM 184 CD1 LEU A2574 -12.960 11.493 -5.700 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.125 11.599 -3.220 1.00 0.00 C ATOM 0 H LEU A2574 -14.057 7.844 -3.839 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.151 10.089 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -14.813 9.520 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.406 11.037 -4.749 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.644 9.859 -4.356 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -11.937 11.861 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.049 10.842 -6.569 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -13.642 12.337 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.096 11.956 -3.181 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -13.802 12.451 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.344 11.023 -2.321 1.00 0.00 H new ATOM 197 N GLU A2575 -17.163 8.047 -3.890 1.00 0.00 N ATOM 198 CA GLU A2575 -18.569 7.759 -4.107 1.00 0.00 C ATOM 199 C GLU A2575 -19.287 7.507 -2.786 1.00 0.00 C ATOM 200 O GLU A2575 -20.460 7.857 -2.618 1.00 0.00 O ATOM 201 CB GLU A2575 -18.731 6.581 -5.061 1.00 0.00 C ATOM 202 CG GLU A2575 -18.170 6.850 -6.448 1.00 0.00 C ATOM 203 CD GLU A2575 -18.802 8.057 -7.108 1.00 0.00 C ATOM 204 OE1 GLU A2575 -19.985 7.988 -7.474 1.00 0.00 O ATOM 205 OE2 GLU A2575 -18.109 9.091 -7.295 1.00 0.00 O ATOM 0 H GLU A2575 -16.529 7.275 -4.097 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.031 8.632 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.233 5.709 -4.638 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.789 6.334 -5.146 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.093 7.002 -6.377 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.328 5.973 -7.076 1.00 0.00 H new ATOM 212 N ASP A2576 -18.580 6.925 -1.855 1.00 0.00 N ATOM 213 CA ASP A2576 -19.131 6.647 -0.540 1.00 0.00 C ATOM 214 C ASP A2576 -18.855 7.793 0.415 1.00 0.00 C ATOM 215 O ASP A2576 -19.779 8.407 0.962 1.00 0.00 O ATOM 216 CB ASP A2576 -18.547 5.351 0.026 1.00 0.00 C ATOM 217 CG ASP A2576 -18.921 5.122 1.478 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.194 5.601 2.362 1.00 0.00 O ATOM 219 OD2 ASP A2576 -19.920 4.439 1.755 1.00 0.00 O ATOM 0 H ASP A2576 -17.612 6.629 -1.977 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.210 6.533 -0.648 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -18.897 4.509 -0.571 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.461 5.377 -0.065 1.00 0.00 H new ATOM 224 N GLY A2577 -17.593 8.100 0.588 1.00 0.00 N ATOM 225 CA GLY A2577 -17.209 9.105 1.529 1.00 0.00 C ATOM 226 C GLY A2577 -16.162 8.605 2.498 1.00 0.00 C ATOM 227 O GLY A2577 -15.572 9.401 3.220 1.00 0.00 O ATOM 0 H GLY A2577 -16.819 7.664 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.823 9.973 0.995 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.087 9.437 2.083 1.00 0.00 H new ATOM 231 N THR A2578 -15.949 7.285 2.535 1.00 0.00 N ATOM 232 CA THR A2578 -14.977 6.676 3.377 1.00 0.00 C ATOM 233 C THR A2578 -13.583 7.243 3.100 1.00 0.00 C ATOM 234 O THR A2578 -13.057 7.107 1.995 1.00 0.00 O ATOM 235 CB THR A2578 -14.942 5.171 3.101 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.173 4.515 3.466 1.00 0.00 O ATOM 237 CG2 THR A2578 -13.826 4.546 3.816 1.00 0.00 C ATOM 0 H THR A2578 -16.468 6.620 1.962 1.00 0.00 H new ATOM 0 HA THR A2578 -15.250 6.877 4.413 1.00 0.00 H new ATOM 0 HB THR A2578 -14.808 5.052 2.026 1.00 0.00 H new ATOM 0 HG1 THR A2578 -16.844 4.666 2.767 1.00 0.00 H new ATOM 0 HG21 THR A2578 -13.815 3.476 3.609 1.00 0.00 H new ATOM 0 HG22 THR A2578 -12.887 4.989 3.484 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.944 4.707 4.887 1.00 0.00 H new ATOM 245 N ARG A2579 -13.009 7.851 4.082 1.00 0.00 N ATOM 246 CA ARG A2579 -11.685 8.387 3.969 1.00 0.00 C ATOM 247 C ARG A2579 -10.812 7.660 4.932 1.00 0.00 C ATOM 248 O ARG A2579 -11.134 7.534 6.111 1.00 0.00 O ATOM 249 CB ARG A2579 -11.662 9.872 4.257 1.00 0.00 C ATOM 250 CG ARG A2579 -10.350 10.547 3.904 1.00 0.00 C ATOM 251 CD ARG A2579 -10.354 12.013 4.275 1.00 0.00 C ATOM 252 NE ARG A2579 -11.534 12.728 3.764 1.00 0.00 N ATOM 253 CZ ARG A2579 -11.502 13.887 3.097 1.00 0.00 C ATOM 254 NH1 ARG A2579 -10.366 14.333 2.552 1.00 0.00 N ATOM 255 NH2 ARG A2579 -12.628 14.550 2.898 1.00 0.00 N ATOM 0 H ARG A2579 -13.443 7.994 4.994 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.326 8.254 2.949 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.467 10.352 3.701 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.867 10.030 5.316 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.532 10.044 4.420 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.164 10.443 2.835 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -10.319 12.108 5.360 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -9.452 12.484 3.884 1.00 0.00 H new ATOM 0 HE ARG A2579 -12.448 12.307 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -9.509 13.788 2.642 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -10.356 15.219 2.046 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -13.509 14.177 3.252 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -12.616 15.435 2.391 1.00 0.00 H new ATOM 269 N LEU A2580 -9.727 7.177 4.442 1.00 0.00 N ATOM 270 CA LEU A2580 -8.874 6.367 5.215 1.00 0.00 C ATOM 271 C LEU A2580 -7.506 6.971 5.267 1.00 0.00 C ATOM 272 O LEU A2580 -6.733 6.883 4.316 1.00 0.00 O ATOM 273 CB LEU A2580 -8.851 4.988 4.608 1.00 0.00 C ATOM 274 CG LEU A2580 -10.226 4.360 4.443 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.145 3.116 3.625 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.875 4.093 5.795 1.00 0.00 C ATOM 0 H LEU A2580 -9.409 7.337 3.486 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.236 6.295 6.241 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.368 5.040 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.239 4.338 5.233 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.859 5.070 3.911 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.140 2.684 3.520 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.747 3.354 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.488 2.399 4.117 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.857 3.644 5.645 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.249 3.412 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.985 5.032 6.338 1.00 0.00 H new ATOM 288 N VAL A2581 -7.247 7.643 6.346 1.00 0.00 N ATOM 289 CA VAL A2581 -5.976 8.265 6.596 1.00 0.00 C ATOM 290 C VAL A2581 -5.506 7.800 7.965 1.00 0.00 C ATOM 291 O VAL A2581 -6.341 7.486 8.828 1.00 0.00 O ATOM 292 CB VAL A2581 -6.063 9.837 6.534 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.510 10.314 5.147 1.00 0.00 C ATOM 294 CG2 VAL A2581 -7.004 10.394 7.598 1.00 0.00 C ATOM 0 H VAL A2581 -7.925 7.779 7.096 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.266 7.973 5.822 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.060 10.215 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.561 11.403 5.136 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.794 9.976 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.494 9.903 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.036 11.481 7.522 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -8.005 9.990 7.446 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.644 10.110 8.587 1.00 0.00 H new ATOM 304 N GLY A2582 -4.221 7.699 8.164 1.00 0.00 N ATOM 305 CA GLY A2582 -3.729 7.213 9.429 1.00 0.00 C ATOM 306 C GLY A2582 -3.732 5.710 9.442 1.00 0.00 C ATOM 307 O GLY A2582 -3.412 5.080 8.438 1.00 0.00 O ATOM 0 H GLY A2582 -3.503 7.941 7.481 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.719 7.584 9.602 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -4.351 7.593 10.240 1.00 0.00 H new ATOM 311 N GLU A2583 -4.156 5.134 10.530 1.00 0.00 N ATOM 312 CA GLU A2583 -4.220 3.691 10.652 1.00 0.00 C ATOM 313 C GLU A2583 -5.471 3.164 9.957 1.00 0.00 C ATOM 314 O GLU A2583 -5.600 1.970 9.679 1.00 0.00 O ATOM 315 CB GLU A2583 -4.136 3.253 12.106 1.00 0.00 C ATOM 316 CG GLU A2583 -2.865 3.738 12.784 1.00 0.00 C ATOM 317 CD GLU A2583 -2.665 3.148 14.144 1.00 0.00 C ATOM 318 OE1 GLU A2583 -3.138 3.723 15.150 1.00 0.00 O ATOM 319 OE2 GLU A2583 -2.014 2.090 14.243 1.00 0.00 O ATOM 0 H GLU A2583 -4.468 5.641 11.358 1.00 0.00 H new ATOM 0 HA GLU A2583 -3.354 3.256 10.152 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -5.002 3.634 12.648 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -4.180 2.165 12.158 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -2.008 3.490 12.157 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -2.896 4.824 12.867 1.00 0.00 H new ATOM 326 N ASP A2584 -6.402 4.077 9.700 1.00 0.00 N ATOM 327 CA ASP A2584 -7.619 3.777 8.936 1.00 0.00 C ATOM 328 C ASP A2584 -7.229 3.459 7.500 1.00 0.00 C ATOM 329 O ASP A2584 -7.922 2.716 6.799 1.00 0.00 O ATOM 330 CB ASP A2584 -8.593 4.982 8.925 1.00 0.00 C ATOM 331 CG ASP A2584 -9.160 5.348 10.284 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.434 5.941 11.110 1.00 0.00 O ATOM 333 OD2 ASP A2584 -10.356 5.089 10.545 1.00 0.00 O ATOM 0 H ASP A2584 -6.339 5.046 10.013 1.00 0.00 H new ATOM 0 HA ASP A2584 -8.119 2.931 9.407 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.073 5.849 8.517 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.419 4.759 8.249 1.00 0.00 H new ATOM 338 N ALA A2585 -6.094 4.010 7.085 1.00 0.00 N ATOM 339 CA ALA A2585 -5.579 3.838 5.749 1.00 0.00 C ATOM 340 C ALA A2585 -5.054 2.429 5.571 1.00 0.00 C ATOM 341 O ALA A2585 -4.437 1.875 6.487 1.00 0.00 O ATOM 342 CB ALA A2585 -4.478 4.845 5.487 1.00 0.00 C ATOM 0 H ALA A2585 -5.506 4.593 7.680 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.385 4.003 5.034 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.094 4.709 4.476 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.876 5.854 5.591 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.671 4.697 6.205 1.00 0.00 H new ATOM 348 N PRO A2586 -5.306 1.817 4.418 1.00 0.00 N ATOM 349 CA PRO A2586 -4.836 0.473 4.134 1.00 0.00 C ATOM 350 C PRO A2586 -3.316 0.431 3.982 1.00 0.00 C ATOM 351 O PRO A2586 -2.663 1.464 3.702 1.00 0.00 O ATOM 352 CB PRO A2586 -5.518 0.118 2.802 1.00 0.00 C ATOM 353 CG PRO A2586 -5.793 1.433 2.161 1.00 0.00 C ATOM 354 CD PRO A2586 -6.071 2.387 3.288 1.00 0.00 C ATOM 0 HA PRO A2586 -5.074 -0.224 4.938 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.872 -0.500 2.178 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.438 -0.444 2.965 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.940 1.765 1.569 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.645 1.368 1.485 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.741 3.398 3.049 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.136 2.444 3.512 1.00 0.00 H new ATOM 362 N LYS A2587 -2.757 -0.727 4.207 1.00 0.00 N ATOM 363 CA LYS A2587 -1.347 -0.936 4.051 1.00 0.00 C ATOM 364 C LYS A2587 -1.004 -0.969 2.572 1.00 0.00 C ATOM 365 O LYS A2587 -1.815 -1.414 1.756 1.00 0.00 O ATOM 366 CB LYS A2587 -0.912 -2.226 4.776 1.00 0.00 C ATOM 367 CG LYS A2587 -0.979 -2.101 6.296 1.00 0.00 C ATOM 368 CD LYS A2587 -0.672 -3.406 7.060 1.00 0.00 C ATOM 369 CE LYS A2587 -1.876 -4.367 7.165 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.163 -5.146 5.936 1.00 0.00 N ATOM 0 H LYS A2587 -3.272 -1.556 4.505 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.798 -0.113 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.549 -3.050 4.455 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.107 -2.477 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.275 -1.333 6.616 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -1.975 -1.757 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A2587 0.150 -3.922 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.331 -3.156 8.064 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -1.696 -5.063 7.985 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -2.762 -3.789 7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -2.857 -5.890 6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -2.548 -4.513 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -1.285 -5.582 5.588 1.00 0.00 H new ATOM 384 N ASN A2588 0.171 -0.465 2.238 1.00 0.00 N ATOM 385 CA ASN A2588 0.673 -0.372 0.843 1.00 0.00 C ATOM 386 C ASN A2588 0.556 -1.702 0.103 1.00 0.00 C ATOM 387 O ASN A2588 0.220 -1.744 -1.077 1.00 0.00 O ATOM 388 CB ASN A2588 2.136 0.087 0.844 1.00 0.00 C ATOM 389 CG ASN A2588 2.736 0.228 -0.559 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.054 0.571 -1.531 1.00 0.00 O ATOM 391 ND2 ASN A2588 4.011 -0.046 -0.676 1.00 0.00 N ATOM 0 H ASN A2588 0.828 -0.098 2.927 1.00 0.00 H new ATOM 0 HA ASN A2588 0.053 0.357 0.320 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.207 1.045 1.358 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.731 -0.626 1.415 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.466 0.021 -1.587 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.550 -0.327 0.143 1.00 0.00 H new ATOM 398 N LYS A2589 0.788 -2.777 0.817 1.00 0.00 N ATOM 399 CA LYS A2589 0.714 -4.113 0.251 1.00 0.00 C ATOM 400 C LYS A2589 -0.720 -4.492 -0.150 1.00 0.00 C ATOM 401 O LYS A2589 -0.928 -5.225 -1.114 1.00 0.00 O ATOM 402 CB LYS A2589 1.297 -5.138 1.235 1.00 0.00 C ATOM 403 CG LYS A2589 0.719 -5.027 2.640 1.00 0.00 C ATOM 404 CD LYS A2589 1.259 -6.084 3.587 1.00 0.00 C ATOM 405 CE LYS A2589 0.818 -7.481 3.191 1.00 0.00 C ATOM 406 NZ LYS A2589 1.249 -8.485 4.173 1.00 0.00 N ATOM 0 H LYS A2589 1.034 -2.756 1.807 1.00 0.00 H new ATOM 0 HA LYS A2589 1.310 -4.120 -0.661 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.113 -6.142 0.853 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.378 -5.009 1.284 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.942 -4.039 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.366 -5.113 2.589 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.348 -6.037 3.599 1.00 0.00 H new ATOM 0 HD3 LYS A2589 0.919 -5.870 4.600 1.00 0.00 H new ATOM 0 HE2 LYS A2589 -0.268 -7.507 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.229 -7.729 2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 0.930 -9.427 3.869 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 2.286 -8.477 4.245 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 0.836 -8.262 5.101 1.00 0.00 H new ATOM 420 N ASP A2590 -1.694 -3.957 0.562 1.00 0.00 N ATOM 421 CA ASP A2590 -3.103 -4.299 0.342 1.00 0.00 C ATOM 422 C ASP A2590 -3.742 -3.325 -0.593 1.00 0.00 C ATOM 423 O ASP A2590 -4.819 -3.590 -1.126 1.00 0.00 O ATOM 424 CB ASP A2590 -3.893 -4.249 1.642 1.00 0.00 C ATOM 425 CG ASP A2590 -3.356 -5.134 2.722 1.00 0.00 C ATOM 426 OD1 ASP A2590 -2.388 -4.741 3.395 1.00 0.00 O ATOM 427 OD2 ASP A2590 -3.902 -6.235 2.941 1.00 0.00 O ATOM 0 H ASP A2590 -1.542 -3.277 1.306 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.118 -5.307 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.909 -3.221 2.005 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.926 -4.531 1.437 1.00 0.00 H new ATOM 432 N LEU A2591 -3.076 -2.193 -0.780 1.00 0.00 N ATOM 433 CA LEU A2591 -3.554 -1.090 -1.603 1.00 0.00 C ATOM 434 C LEU A2591 -4.041 -1.586 -2.949 1.00 0.00 C ATOM 435 O LEU A2591 -5.168 -1.353 -3.322 1.00 0.00 O ATOM 436 CB LEU A2591 -2.429 -0.080 -1.812 1.00 0.00 C ATOM 437 CG LEU A2591 -2.781 1.151 -2.639 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.796 2.019 -1.919 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.536 1.933 -3.009 1.00 0.00 C ATOM 0 H LEU A2591 -2.167 -2.012 -0.354 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.388 -0.616 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -2.079 0.252 -0.834 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.594 -0.590 -2.293 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.241 0.814 -3.568 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -4.029 2.890 -2.531 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.706 1.445 -1.743 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.383 2.346 -0.965 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.816 2.806 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -1.027 2.257 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.869 1.300 -3.593 1.00 0.00 H new ATOM 451 N VAL A2592 -3.202 -2.340 -3.614 1.00 0.00 N ATOM 452 CA VAL A2592 -3.488 -2.860 -4.944 1.00 0.00 C ATOM 453 C VAL A2592 -4.810 -3.673 -4.991 1.00 0.00 C ATOM 454 O VAL A2592 -5.615 -3.534 -5.929 1.00 0.00 O ATOM 455 CB VAL A2592 -2.294 -3.695 -5.471 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.083 -2.798 -5.683 1.00 0.00 C ATOM 457 CG2 VAL A2592 -1.942 -4.825 -4.509 1.00 0.00 C ATOM 0 H VAL A2592 -2.290 -2.618 -3.251 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.628 -2.003 -5.603 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.587 -4.138 -6.423 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.249 -3.394 -6.053 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.327 -2.024 -6.410 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.805 -2.333 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.101 -5.393 -4.907 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.672 -4.407 -3.540 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -2.802 -5.485 -4.392 1.00 0.00 H new ATOM 467 N GLU A2593 -5.049 -4.448 -3.944 1.00 0.00 N ATOM 468 CA GLU A2593 -6.234 -5.267 -3.818 1.00 0.00 C ATOM 469 C GLU A2593 -7.443 -4.409 -3.512 1.00 0.00 C ATOM 470 O GLU A2593 -8.528 -4.611 -4.063 1.00 0.00 O ATOM 471 CB GLU A2593 -6.024 -6.281 -2.715 1.00 0.00 C ATOM 472 CG GLU A2593 -4.909 -7.263 -3.000 1.00 0.00 C ATOM 473 CD GLU A2593 -5.165 -8.077 -4.241 1.00 0.00 C ATOM 474 OE1 GLU A2593 -4.752 -7.659 -5.350 1.00 0.00 O ATOM 475 OE2 GLU A2593 -5.752 -9.170 -4.132 1.00 0.00 O ATOM 0 H GLU A2593 -4.413 -4.523 -3.150 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.412 -5.784 -4.761 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -5.805 -5.755 -1.786 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -6.951 -6.832 -2.558 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -3.970 -6.720 -3.112 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.791 -7.932 -2.148 1.00 0.00 H new ATOM 482 N TRP A2594 -7.234 -3.438 -2.640 1.00 0.00 N ATOM 483 CA TRP A2594 -8.267 -2.499 -2.225 1.00 0.00 C ATOM 484 C TRP A2594 -8.748 -1.719 -3.452 1.00 0.00 C ATOM 485 O TRP A2594 -9.924 -1.440 -3.607 1.00 0.00 O ATOM 486 CB TRP A2594 -7.683 -1.542 -1.171 1.00 0.00 C ATOM 487 CG TRP A2594 -8.707 -0.772 -0.393 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.329 -1.190 0.748 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.221 0.543 -0.671 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.196 -0.231 1.192 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.153 0.840 0.345 1.00 0.00 C ATOM 492 CE3 TRP A2594 -8.997 1.500 -1.671 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.853 2.039 0.389 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.694 2.681 -1.614 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.610 2.944 -0.595 1.00 0.00 C ATOM 0 H TRP A2594 -6.331 -3.276 -2.193 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.112 -3.030 -1.787 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.074 -2.118 -0.474 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.018 -0.836 -1.669 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.160 -2.141 1.230 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.782 -0.304 2.024 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.292 1.312 -2.468 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.564 2.244 1.176 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.529 3.426 -2.378 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.137 3.887 -0.588 1.00 0.00 H new ATOM 506 N LEU A2595 -7.812 -1.432 -4.332 1.00 0.00 N ATOM 507 CA LEU A2595 -8.067 -0.744 -5.599 1.00 0.00 C ATOM 508 C LEU A2595 -8.966 -1.559 -6.516 1.00 0.00 C ATOM 509 O LEU A2595 -9.742 -0.998 -7.291 1.00 0.00 O ATOM 510 CB LEU A2595 -6.746 -0.456 -6.298 1.00 0.00 C ATOM 511 CG LEU A2595 -6.037 0.857 -5.965 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.151 1.221 -4.489 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.579 0.760 -6.367 1.00 0.00 C ATOM 0 H LEU A2595 -6.830 -1.671 -4.192 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.583 0.190 -5.374 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.062 -1.274 -6.071 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.924 -0.478 -7.373 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.528 1.651 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.631 2.161 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.202 1.329 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.701 0.433 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.073 1.696 -6.130 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.105 -0.057 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.509 0.571 -7.438 1.00 0.00 H new ATOM 525 N LYS A2596 -8.838 -2.886 -6.462 1.00 0.00 N ATOM 526 CA LYS A2596 -9.717 -3.750 -7.259 1.00 0.00 C ATOM 527 C LYS A2596 -11.140 -3.634 -6.746 1.00 0.00 C ATOM 528 O LYS A2596 -12.103 -3.659 -7.513 1.00 0.00 O ATOM 529 CB LYS A2596 -9.316 -5.229 -7.209 1.00 0.00 C ATOM 530 CG LYS A2596 -7.951 -5.590 -7.759 1.00 0.00 C ATOM 531 CD LYS A2596 -7.829 -7.111 -7.835 1.00 0.00 C ATOM 532 CE LYS A2596 -6.470 -7.581 -8.323 1.00 0.00 C ATOM 533 NZ LYS A2596 -6.082 -6.978 -9.620 1.00 0.00 N ATOM 0 H LYS A2596 -8.152 -3.379 -5.890 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.629 -3.412 -8.291 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.361 -5.557 -6.171 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -10.064 -5.802 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.816 -5.152 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.168 -5.181 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -8.019 -7.534 -6.848 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -8.600 -7.498 -8.501 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -5.716 -7.336 -7.575 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -6.481 -8.666 -8.422 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -5.188 -7.398 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.826 -7.160 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.960 -5.952 -9.503 1.00 0.00 H new ATOM 547 N LEU A2597 -11.260 -3.503 -5.448 1.00 0.00 N ATOM 548 CA LEU A2597 -12.546 -3.413 -4.802 1.00 0.00 C ATOM 549 C LEU A2597 -13.144 -2.028 -4.984 1.00 0.00 C ATOM 550 O LEU A2597 -14.353 -1.889 -5.203 1.00 0.00 O ATOM 551 CB LEU A2597 -12.405 -3.735 -3.310 1.00 0.00 C ATOM 552 CG LEU A2597 -11.811 -5.107 -2.972 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.637 -5.258 -1.471 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.683 -6.228 -3.526 1.00 0.00 C ATOM 0 H LEU A2597 -10.467 -3.456 -4.808 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.216 -4.139 -5.263 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.782 -2.968 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.390 -3.664 -2.849 1.00 0.00 H new ATOM 0 HG LEU A2597 -10.830 -5.177 -3.442 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.214 -6.238 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -10.966 -4.482 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -12.606 -5.162 -0.981 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.241 -7.192 -3.273 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -13.681 -6.161 -3.092 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.752 -6.133 -4.610 1.00 0.00 H new ATOM 566 N HIS A2598 -12.302 -1.015 -4.923 1.00 0.00 N ATOM 567 CA HIS A2598 -12.757 0.360 -5.004 1.00 0.00 C ATOM 568 C HIS A2598 -12.039 1.154 -6.087 1.00 0.00 C ATOM 569 O HIS A2598 -11.104 1.868 -5.801 1.00 0.00 O ATOM 570 CB HIS A2598 -12.569 1.090 -3.661 1.00 0.00 C ATOM 571 CG HIS A2598 -13.292 0.450 -2.500 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.647 0.562 -2.279 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.820 -0.332 -1.501 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.949 -0.134 -1.179 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.872 -0.700 -0.665 1.00 0.00 N ATOM 0 H HIS A2598 -11.293 -1.119 -4.817 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.816 0.305 -5.257 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.504 1.135 -3.431 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.916 2.118 -3.768 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.789 -0.625 -1.372 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.943 -0.222 -0.765 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.821 -1.284 0.169 1.00 0.00 H new ATOM 583 N PRO A2599 -12.460 1.041 -7.356 1.00 0.00 N ATOM 584 CA PRO A2599 -11.886 1.849 -8.444 1.00 0.00 C ATOM 585 C PRO A2599 -12.432 3.281 -8.376 1.00 0.00 C ATOM 586 O PRO A2599 -11.960 4.192 -9.046 1.00 0.00 O ATOM 587 CB PRO A2599 -12.378 1.136 -9.705 1.00 0.00 C ATOM 588 CG PRO A2599 -13.652 0.481 -9.294 1.00 0.00 C ATOM 589 CD PRO A2599 -13.487 0.109 -7.843 1.00 0.00 C ATOM 0 HA PRO A2599 -10.800 1.932 -8.403 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.540 1.840 -10.521 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.651 0.404 -10.055 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.497 1.156 -9.429 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -13.849 -0.402 -9.902 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.421 0.220 -7.293 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.172 -0.928 -7.729 1.00 0.00 H new ATOM 597 N THR A2600 -13.400 3.442 -7.514 1.00 0.00 N ATOM 598 CA THR A2600 -14.094 4.669 -7.247 1.00 0.00 C ATOM 599 C THR A2600 -13.364 5.467 -6.166 1.00 0.00 C ATOM 600 O THR A2600 -13.907 6.423 -5.573 1.00 0.00 O ATOM 601 CB THR A2600 -15.475 4.276 -6.743 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.314 3.135 -5.867 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.379 3.892 -7.896 1.00 0.00 C ATOM 0 H THR A2600 -13.745 2.669 -6.945 1.00 0.00 H new ATOM 0 HA THR A2600 -14.150 5.290 -8.141 1.00 0.00 H new ATOM 0 HB THR A2600 -15.928 5.118 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.190 2.859 -5.524 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.361 3.615 -7.512 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.481 4.738 -8.576 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.947 3.046 -8.431 1.00 0.00 H new ATOM 611 N TYR A2601 -12.146 5.071 -5.903 1.00 0.00 N ATOM 612 CA TYR A2601 -11.361 5.713 -4.911 1.00 0.00 C ATOM 613 C TYR A2601 -10.488 6.788 -5.574 1.00 0.00 C ATOM 614 O TYR A2601 -10.434 6.907 -6.809 1.00 0.00 O ATOM 615 CB TYR A2601 -10.463 4.680 -4.191 1.00 0.00 C ATOM 616 CG TYR A2601 -9.124 4.452 -4.847 1.00 0.00 C ATOM 617 CD1 TYR A2601 -9.020 3.879 -6.094 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.971 4.853 -4.213 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.816 3.719 -6.694 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.754 4.691 -4.792 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.670 4.129 -6.042 1.00 0.00 C ATOM 622 OH TYR A2601 -5.443 3.989 -6.656 1.00 0.00 O ATOM 0 H TYR A2601 -11.682 4.295 -6.375 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.019 6.177 -4.176 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.300 5.011 -3.166 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.994 3.730 -4.138 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.914 3.551 -6.603 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.035 5.306 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.753 3.274 -7.676 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.859 5.002 -4.274 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.740 4.327 -6.063 1.00 0.00 H new ATOM 632 N THR A2602 -9.841 7.549 -4.769 1.00 0.00 N ATOM 633 CA THR A2602 -8.873 8.504 -5.175 1.00 0.00 C ATOM 634 C THR A2602 -7.843 8.608 -4.064 1.00 0.00 C ATOM 635 O THR A2602 -8.199 8.505 -2.881 1.00 0.00 O ATOM 636 CB THR A2602 -9.546 9.874 -5.441 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.417 9.758 -6.579 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.530 10.981 -5.686 1.00 0.00 C ATOM 0 H THR A2602 -9.978 7.522 -3.759 1.00 0.00 H new ATOM 0 HA THR A2602 -8.392 8.197 -6.104 1.00 0.00 H new ATOM 0 HB THR A2602 -10.112 10.145 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.435 8.827 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.052 11.920 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A2602 -7.888 11.086 -4.811 1.00 0.00 H new ATOM 0 HG23 THR A2602 -7.922 10.731 -6.555 1.00 0.00 H new ATOM 646 N VAL A2603 -6.585 8.707 -4.417 1.00 0.00 N ATOM 647 CA VAL A2603 -5.553 8.906 -3.425 1.00 0.00 C ATOM 648 C VAL A2603 -5.716 10.319 -2.867 1.00 0.00 C ATOM 649 O VAL A2603 -5.703 11.296 -3.630 1.00 0.00 O ATOM 650 CB VAL A2603 -4.134 8.702 -4.022 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.066 8.921 -2.970 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.004 7.305 -4.605 1.00 0.00 C ATOM 0 H VAL A2603 -6.250 8.654 -5.379 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.658 8.167 -2.630 1.00 0.00 H new ATOM 0 HB VAL A2603 -3.993 9.436 -4.815 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.082 8.772 -3.414 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.139 9.937 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.207 8.211 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.004 7.176 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.170 6.567 -3.821 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.745 7.169 -5.393 1.00 0.00 H new ATOM 662 N ASP A2604 -5.905 10.418 -1.561 1.00 0.00 N ATOM 663 CA ASP A2604 -6.206 11.704 -0.927 1.00 0.00 C ATOM 664 C ASP A2604 -4.973 12.574 -0.827 1.00 0.00 C ATOM 665 O ASP A2604 -5.039 13.782 -0.997 1.00 0.00 O ATOM 666 CB ASP A2604 -6.859 11.516 0.456 1.00 0.00 C ATOM 667 CG ASP A2604 -7.214 12.840 1.129 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.135 13.534 0.654 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.594 13.191 2.155 1.00 0.00 O ATOM 0 H ASP A2604 -5.857 9.629 -0.916 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.925 12.215 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.762 10.916 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.180 10.957 1.100 1.00 0.00 H new