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= -0.414 K(o=-0.41,f=-8.4!) USER MOD Single : A2578 THR OG1 : rot 180:sc= 0 USER MOD Single : A2587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2588 ASN : amide:sc=-0.00943 X(o=-0.0094,f=-0.054) USER MOD Single : A2589 LYS NZ :NH3+ -178:sc= 1.15 (180deg=1.11) USER MOD Single : A2596 LYS NZ :NH3+ -163:sc= -0.0794 (180deg=-0.425) USER MOD Single : A2598 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A2600 THR OG1 : rot 180:sc= 0.0807 USER MOD Single : A2601 TYR OH : rot 180:sc= -0.036 USER MOD Single : A2602 THR OG1 : rot -1:sc= 0.24 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.739 -2.556 3.959 1.00 0.00 N ATOM 33 CA PRO A2565 4.478 -3.173 3.493 1.00 0.00 C ATOM 34 C PRO A2565 3.299 -2.767 4.397 1.00 0.00 C ATOM 35 O PRO A2565 2.122 -2.811 3.993 1.00 0.00 O ATOM 36 CB PRO A2565 4.752 -4.673 3.601 1.00 0.00 C ATOM 37 CG PRO A2565 6.239 -4.791 3.577 1.00 0.00 C ATOM 38 CD PRO A2565 6.758 -3.571 4.282 1.00 0.00 C ATOM 0 HA PRO A2565 4.202 -2.862 2.485 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.337 -5.086 4.521 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.298 -5.219 2.774 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.567 -5.702 4.078 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.611 -4.839 2.554 1.00 0.00 H new ATOM 0 HD2 PRO A2565 6.845 -3.730 5.357 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.745 -3.283 3.921 1.00 0.00 H new ATOM 46 N ASP A2566 3.643 -2.334 5.599 1.00 0.00 N ATOM 47 CA ASP A2566 2.682 -1.878 6.573 1.00 0.00 C ATOM 48 C ASP A2566 2.428 -0.386 6.507 1.00 0.00 C ATOM 49 O ASP A2566 1.553 0.102 7.212 1.00 0.00 O ATOM 50 CB ASP A2566 3.059 -2.276 8.001 1.00 0.00 C ATOM 51 CG ASP A2566 2.523 -3.625 8.408 1.00 0.00 C ATOM 52 OD1 ASP A2566 1.311 -3.722 8.719 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.300 -4.605 8.472 1.00 0.00 O ATOM 0 H ASP A2566 4.609 -2.291 5.923 1.00 0.00 H new ATOM 0 HA ASP A2566 1.755 -2.386 6.306 1.00 0.00 H new ATOM 0 HB2 ASP A2566 4.145 -2.282 8.094 1.00 0.00 H new ATOM 0 HB3 ASP A2566 2.684 -1.521 8.692 1.00 0.00 H new ATOM 58 N THR A2567 3.164 0.346 5.677 1.00 0.00 N ATOM 59 CA THR A2567 2.922 1.775 5.548 1.00 0.00 C ATOM 60 C THR A2567 1.528 1.983 4.984 1.00 0.00 C ATOM 61 O THR A2567 1.206 1.485 3.905 1.00 0.00 O ATOM 62 CB THR A2567 3.958 2.458 4.630 1.00 0.00 C ATOM 63 OG1 THR A2567 5.277 2.214 5.133 1.00 0.00 O ATOM 64 CG2 THR A2567 3.732 3.965 4.562 1.00 0.00 C ATOM 0 H THR A2567 3.918 -0.019 5.095 1.00 0.00 H new ATOM 0 HA THR A2567 3.013 2.228 6.535 1.00 0.00 H new ATOM 0 HB THR A2567 3.845 2.041 3.629 1.00 0.00 H new ATOM 0 HG1 THR A2567 5.935 2.646 4.549 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.478 4.416 3.908 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.736 4.166 4.169 1.00 0.00 H new ATOM 0 HG23 THR A2567 3.821 4.392 5.561 1.00 0.00 H new ATOM 72 N ARG A2568 0.708 2.646 5.737 1.00 0.00 N ATOM 73 CA ARG A2568 -0.651 2.864 5.344 1.00 0.00 C ATOM 74 C ARG A2568 -0.735 3.997 4.320 1.00 0.00 C ATOM 75 O ARG A2568 -0.011 5.003 4.421 1.00 0.00 O ATOM 76 CB ARG A2568 -1.536 3.141 6.551 1.00 0.00 C ATOM 77 CG ARG A2568 -1.542 2.063 7.651 1.00 0.00 C ATOM 78 CD ARG A2568 -1.780 0.659 7.103 1.00 0.00 C ATOM 79 NE ARG A2568 -2.200 -0.299 8.159 1.00 0.00 N ATOM 80 CZ ARG A2568 -1.536 -1.401 8.555 1.00 0.00 C ATOM 81 NH1 ARG A2568 -0.261 -1.551 8.278 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.146 -2.311 9.309 1.00 0.00 N ATOM 0 H ARG A2568 0.959 3.051 6.639 1.00 0.00 H new ATOM 0 HA ARG A2568 -1.021 1.953 4.873 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -1.221 4.084 6.997 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -2.559 3.279 6.201 1.00 0.00 H new ATOM 0 HG2 ARG A2568 -0.589 2.085 8.180 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -2.317 2.299 8.380 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.545 0.700 6.328 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.867 0.297 6.630 1.00 0.00 H new ATOM 0 HE ARG A2568 -3.082 -0.101 8.632 1.00 0.00 H new ATOM 0 HH11 ARG A2568 0.236 -0.828 7.758 1.00 0.00 H new ATOM 0 HH12 ARG A2568 0.232 -2.390 8.583 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -3.118 -2.174 9.588 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -1.642 -3.146 9.609 1.00 0.00 H new ATOM 96 N ILE A2569 -1.601 3.827 3.355 1.00 0.00 N ATOM 97 CA ILE A2569 -1.740 4.730 2.233 1.00 0.00 C ATOM 98 C ILE A2569 -3.046 5.536 2.367 1.00 0.00 C ATOM 99 O ILE A2569 -4.139 4.975 2.256 1.00 0.00 O ATOM 100 CB ILE A2569 -1.791 3.933 0.906 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.622 2.920 0.817 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.775 4.889 -0.294 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.759 3.535 0.696 1.00 0.00 C ATOM 0 H ILE A2569 -2.247 3.038 3.323 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.882 5.403 2.227 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.723 3.368 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.643 2.286 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.790 2.271 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.811 4.313 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.640 5.550 -0.244 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.862 5.484 -0.273 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.506 2.743 0.640 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.808 4.144 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.957 4.160 1.567 1.00 0.00 H new ATOM 115 N PRO A2570 -2.940 6.839 2.633 1.00 0.00 N ATOM 116 CA PRO A2570 -4.099 7.722 2.800 1.00 0.00 C ATOM 117 C PRO A2570 -4.918 7.905 1.508 1.00 0.00 C ATOM 118 O PRO A2570 -4.499 8.604 0.561 1.00 0.00 O ATOM 119 CB PRO A2570 -3.494 9.053 3.267 1.00 0.00 C ATOM 120 CG PRO A2570 -2.056 8.995 2.875 1.00 0.00 C ATOM 121 CD PRO A2570 -1.670 7.542 2.825 1.00 0.00 C ATOM 0 HA PRO A2570 -4.813 7.302 3.509 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -3.995 9.899 2.797 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.603 9.177 4.344 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -1.902 9.468 1.905 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.439 9.533 3.594 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -0.977 7.342 2.008 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.177 7.229 3.745 1.00 0.00 H new ATOM 129 N VAL A2571 -6.076 7.278 1.471 1.00 0.00 N ATOM 130 CA VAL A2571 -6.948 7.318 0.315 1.00 0.00 C ATOM 131 C VAL A2571 -8.376 7.664 0.726 1.00 0.00 C ATOM 132 O VAL A2571 -8.736 7.593 1.911 1.00 0.00 O ATOM 133 CB VAL A2571 -6.945 5.979 -0.488 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.565 5.670 -1.055 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.425 4.825 0.368 1.00 0.00 C ATOM 0 H VAL A2571 -6.440 6.724 2.246 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.555 8.097 -0.339 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.636 6.105 -1.321 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.601 4.731 -1.608 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.258 6.474 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.847 5.584 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.412 3.907 -0.219 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.768 4.714 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.441 5.023 0.709 1.00 0.00 H new ATOM 145 N ILE A2572 -9.176 8.043 -0.235 1.00 0.00 N ATOM 146 CA ILE A2572 -10.547 8.390 0.004 1.00 0.00 C ATOM 147 C ILE A2572 -11.426 7.767 -1.083 1.00 0.00 C ATOM 148 O ILE A2572 -11.015 7.645 -2.232 1.00 0.00 O ATOM 149 CB ILE A2572 -10.743 9.956 0.067 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.213 10.321 0.348 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.248 10.636 -1.216 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.475 11.799 0.513 1.00 0.00 C ATOM 0 H ILE A2572 -8.890 8.119 -1.211 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.845 7.993 0.974 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.138 10.327 0.894 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.829 9.945 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.535 9.805 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.398 11.713 -1.138 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.187 10.426 -1.353 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.807 10.253 -2.070 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.535 11.961 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -11.890 12.181 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.189 12.323 -0.399 1.00 0.00 H new ATOM 164 N ASN A2573 -12.586 7.324 -0.713 1.00 0.00 N ATOM 165 CA ASN A2573 -13.527 6.776 -1.660 1.00 0.00 C ATOM 166 C ASN A2573 -14.545 7.842 -1.929 1.00 0.00 C ATOM 167 O ASN A2573 -15.315 8.189 -1.038 1.00 0.00 O ATOM 168 CB ASN A2573 -14.238 5.556 -1.088 1.00 0.00 C ATOM 169 CG ASN A2573 -15.100 4.812 -2.107 1.00 0.00 C ATOM 170 OD1 ASN A2573 -15.685 5.401 -3.019 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.188 3.533 -1.963 1.00 0.00 N ATOM 0 H ASN A2573 -12.915 7.328 0.252 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.003 6.468 -2.564 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.494 4.869 -0.685 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.866 5.870 -0.255 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -15.752 2.984 -2.612 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -14.694 3.071 -1.200 1.00 0.00 H new ATOM 178 N LEU A2574 -14.563 8.347 -3.131 1.00 0.00 N ATOM 179 CA LEU A2574 -15.451 9.443 -3.477 1.00 0.00 C ATOM 180 C LEU A2574 -16.914 9.019 -3.485 1.00 0.00 C ATOM 181 O LEU A2574 -17.788 9.799 -3.112 1.00 0.00 O ATOM 182 CB LEU A2574 -15.077 10.062 -4.829 1.00 0.00 C ATOM 183 CG LEU A2574 -13.685 10.698 -4.948 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.515 11.307 -6.323 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.477 11.755 -3.870 1.00 0.00 C ATOM 0 H LEU A2574 -13.973 8.021 -3.897 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.325 10.197 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.160 9.286 -5.590 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.818 10.824 -5.068 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.934 9.920 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.525 11.757 -6.402 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.622 10.531 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.275 12.073 -6.478 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.484 12.191 -3.975 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.230 12.536 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.569 11.294 -2.886 1.00 0.00 H new ATOM 197 N GLU A2575 -17.175 7.784 -3.860 1.00 0.00 N ATOM 198 CA GLU A2575 -18.542 7.319 -3.979 1.00 0.00 C ATOM 199 C GLU A2575 -19.108 6.931 -2.623 1.00 0.00 C ATOM 200 O GLU A2575 -20.215 7.291 -2.288 1.00 0.00 O ATOM 201 CB GLU A2575 -18.637 6.143 -4.939 1.00 0.00 C ATOM 202 CG GLU A2575 -18.045 6.413 -6.312 1.00 0.00 C ATOM 203 CD GLU A2575 -18.631 7.616 -7.001 1.00 0.00 C ATOM 204 OE1 GLU A2575 -19.847 7.659 -7.220 1.00 0.00 O ATOM 205 OE2 GLU A2575 -17.853 8.531 -7.377 1.00 0.00 O ATOM 0 H GLU A2575 -16.465 7.088 -4.086 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.134 8.142 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.128 5.286 -4.498 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.685 5.866 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -16.968 6.552 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.196 5.536 -6.941 1.00 0.00 H new ATOM 212 N ASP A2576 -18.333 6.207 -1.840 1.00 0.00 N ATOM 213 CA ASP A2576 -18.793 5.777 -0.510 1.00 0.00 C ATOM 214 C ASP A2576 -18.721 6.889 0.489 1.00 0.00 C ATOM 215 O ASP A2576 -19.455 6.902 1.467 1.00 0.00 O ATOM 216 CB ASP A2576 -18.023 4.565 0.016 1.00 0.00 C ATOM 217 CG ASP A2576 -18.612 3.246 -0.410 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.403 2.823 -1.550 1.00 0.00 O ATOM 219 OD2 ASP A2576 -19.286 2.596 0.416 1.00 0.00 O ATOM 0 H ASP A2576 -17.392 5.901 -2.086 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.835 5.484 -0.640 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -16.991 4.622 -0.331 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.996 4.607 1.105 1.00 0.00 H new ATOM 224 N GLY A2577 -17.819 7.804 0.261 1.00 0.00 N ATOM 225 CA GLY A2577 -17.674 8.926 1.142 1.00 0.00 C ATOM 226 C GLY A2577 -16.811 8.586 2.328 1.00 0.00 C ATOM 227 O GLY A2577 -16.820 9.287 3.345 1.00 0.00 O ATOM 0 H GLY A2577 -17.174 7.793 -0.529 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -17.235 9.763 0.599 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.656 9.250 1.486 1.00 0.00 H new ATOM 231 N THR A2578 -16.067 7.514 2.207 1.00 0.00 N ATOM 232 CA THR A2578 -15.202 7.089 3.261 1.00 0.00 C ATOM 233 C THR A2578 -13.810 7.653 3.001 1.00 0.00 C ATOM 234 O THR A2578 -13.444 7.885 1.849 1.00 0.00 O ATOM 235 CB THR A2578 -15.172 5.532 3.406 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.536 5.167 4.621 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.428 4.857 2.265 1.00 0.00 C ATOM 0 H THR A2578 -16.049 6.920 1.378 1.00 0.00 H new ATOM 0 HA THR A2578 -15.582 7.470 4.209 1.00 0.00 H new ATOM 0 HB THR A2578 -16.210 5.199 3.391 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.524 4.191 4.703 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.436 3.777 2.414 1.00 0.00 H new ATOM 0 HG22 THR A2578 -14.916 5.097 1.320 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.398 5.212 2.242 1.00 0.00 H new ATOM 245 N ARG A2579 -13.051 7.858 4.034 1.00 0.00 N ATOM 246 CA ARG A2579 -11.762 8.459 3.923 1.00 0.00 C ATOM 247 C ARG A2579 -10.905 7.815 4.954 1.00 0.00 C ATOM 248 O ARG A2579 -11.264 7.791 6.130 1.00 0.00 O ATOM 249 CB ARG A2579 -11.855 9.964 4.169 1.00 0.00 C ATOM 250 CG ARG A2579 -10.545 10.693 3.989 1.00 0.00 C ATOM 251 CD ARG A2579 -10.708 12.180 4.221 1.00 0.00 C ATOM 252 NE ARG A2579 -9.460 12.911 4.007 1.00 0.00 N ATOM 253 CZ ARG A2579 -9.127 14.060 4.597 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.951 14.657 5.454 1.00 0.00 N ATOM 255 NH2 ARG A2579 -7.976 14.619 4.292 1.00 0.00 N ATOM 0 H ARG A2579 -13.314 7.609 4.987 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.346 8.319 2.925 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.593 10.389 3.489 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.219 10.135 5.182 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.805 10.293 4.683 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.165 10.519 2.982 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -11.475 12.569 3.551 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -11.058 12.351 5.239 1.00 0.00 H new ATOM 0 HE ARG A2579 -8.789 12.509 3.353 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -10.855 14.236 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -9.679 15.535 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -7.356 14.174 3.615 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -7.703 15.498 4.732 1.00 0.00 H new ATOM 269 N LEU A2580 -9.807 7.280 4.538 1.00 0.00 N ATOM 270 CA LEU A2580 -8.979 6.531 5.419 1.00 0.00 C ATOM 271 C LEU A2580 -7.573 7.069 5.327 1.00 0.00 C ATOM 272 O LEU A2580 -6.907 6.907 4.299 1.00 0.00 O ATOM 273 CB LEU A2580 -9.002 5.020 5.053 1.00 0.00 C ATOM 274 CG LEU A2580 -10.380 4.310 4.891 1.00 0.00 C ATOM 275 CD1 LEU A2580 -11.308 4.539 6.069 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.047 4.624 3.554 1.00 0.00 C ATOM 0 H LEU A2580 -9.460 7.349 3.581 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.352 6.629 6.438 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.455 4.898 4.118 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.443 4.485 5.821 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.164 3.242 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -12.250 4.019 5.896 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -10.844 4.156 6.978 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -11.498 5.607 6.181 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -12.003 4.104 3.493 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -11.212 5.698 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.402 4.294 2.739 1.00 0.00 H new ATOM 288 N VAL A2581 -7.141 7.743 6.363 1.00 0.00 N ATOM 289 CA VAL A2581 -5.820 8.332 6.408 1.00 0.00 C ATOM 290 C VAL A2581 -5.131 7.915 7.703 1.00 0.00 C ATOM 291 O VAL A2581 -5.810 7.640 8.706 1.00 0.00 O ATOM 292 CB VAL A2581 -5.869 9.896 6.302 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.504 10.346 4.986 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.618 10.512 7.481 1.00 0.00 C ATOM 0 H VAL A2581 -7.696 7.901 7.204 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.256 7.969 5.549 1.00 0.00 H new ATOM 0 HB VAL A2581 -4.838 10.249 6.327 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.522 11.435 4.945 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.920 9.961 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.523 9.963 4.924 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.633 11.597 7.376 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.641 10.135 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.116 10.245 8.411 1.00 0.00 H new ATOM 304 N GLY A2582 -3.818 7.798 7.673 1.00 0.00 N ATOM 305 CA GLY A2582 -3.087 7.440 8.867 1.00 0.00 C ATOM 306 C GLY A2582 -3.076 5.952 9.032 1.00 0.00 C ATOM 307 O GLY A2582 -3.131 5.240 8.049 1.00 0.00 O ATOM 0 H GLY A2582 -3.243 7.944 6.843 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.065 7.815 8.804 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.545 7.908 9.738 1.00 0.00 H new ATOM 311 N GLU A2583 -3.093 5.470 10.256 1.00 0.00 N ATOM 312 CA GLU A2583 -3.057 4.027 10.496 1.00 0.00 C ATOM 313 C GLU A2583 -4.383 3.370 10.089 1.00 0.00 C ATOM 314 O GLU A2583 -4.469 2.152 9.886 1.00 0.00 O ATOM 315 CB GLU A2583 -2.731 3.709 11.951 1.00 0.00 C ATOM 316 CG GLU A2583 -3.752 4.203 12.950 1.00 0.00 C ATOM 317 CD GLU A2583 -3.426 3.755 14.332 1.00 0.00 C ATOM 318 OE1 GLU A2583 -3.834 2.639 14.726 1.00 0.00 O ATOM 319 OE2 GLU A2583 -2.727 4.480 15.049 1.00 0.00 O ATOM 0 H GLU A2583 -3.131 6.043 11.099 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.261 3.615 9.876 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -2.630 2.629 12.059 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -1.763 4.145 12.196 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -3.794 5.292 12.920 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -4.741 3.838 12.672 1.00 0.00 H new ATOM 326 N ASP A2584 -5.405 4.194 9.958 1.00 0.00 N ATOM 327 CA ASP A2584 -6.734 3.747 9.564 1.00 0.00 C ATOM 328 C ASP A2584 -6.813 3.563 8.051 1.00 0.00 C ATOM 329 O ASP A2584 -7.807 3.081 7.528 1.00 0.00 O ATOM 330 CB ASP A2584 -7.821 4.734 10.032 1.00 0.00 C ATOM 331 CG ASP A2584 -7.953 4.828 11.542 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.699 4.024 12.146 1.00 0.00 O ATOM 333 OD2 ASP A2584 -7.324 5.725 12.157 1.00 0.00 O ATOM 0 H ASP A2584 -5.340 5.199 10.122 1.00 0.00 H new ATOM 0 HA ASP A2584 -6.914 2.787 10.048 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.596 5.723 9.634 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -8.780 4.431 9.611 1.00 0.00 H new ATOM 338 N ALA A2585 -5.754 3.938 7.360 1.00 0.00 N ATOM 339 CA ALA A2585 -5.672 3.814 5.913 1.00 0.00 C ATOM 340 C ALA A2585 -5.232 2.396 5.534 1.00 0.00 C ATOM 341 O ALA A2585 -4.633 1.709 6.353 1.00 0.00 O ATOM 342 CB ALA A2585 -4.691 4.843 5.383 1.00 0.00 C ATOM 0 H ALA A2585 -4.920 4.340 7.787 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.651 3.995 5.469 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.624 4.757 4.299 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -5.035 5.843 5.647 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.709 4.669 5.822 1.00 0.00 H new ATOM 348 N PRO A2586 -5.565 1.917 4.314 1.00 0.00 N ATOM 349 CA PRO A2586 -5.169 0.574 3.845 1.00 0.00 C ATOM 350 C PRO A2586 -3.641 0.385 3.794 1.00 0.00 C ATOM 351 O PRO A2586 -2.877 1.356 3.705 1.00 0.00 O ATOM 352 CB PRO A2586 -5.768 0.482 2.430 1.00 0.00 C ATOM 353 CG PRO A2586 -6.044 1.890 2.037 1.00 0.00 C ATOM 354 CD PRO A2586 -6.374 2.619 3.304 1.00 0.00 C ATOM 0 HA PRO A2586 -5.526 -0.202 4.522 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -5.073 0.008 1.737 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.680 -0.115 2.425 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.178 2.334 1.546 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.872 1.942 1.331 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -6.112 3.675 3.241 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.438 2.567 3.533 1.00 0.00 H new ATOM 362 N LYS A2587 -3.217 -0.861 3.860 1.00 0.00 N ATOM 363 CA LYS A2587 -1.800 -1.231 3.868 1.00 0.00 C ATOM 364 C LYS A2587 -1.174 -1.018 2.494 1.00 0.00 C ATOM 365 O LYS A2587 -1.873 -1.017 1.489 1.00 0.00 O ATOM 366 CB LYS A2587 -1.668 -2.705 4.238 1.00 0.00 C ATOM 367 CG LYS A2587 -2.306 -3.068 5.561 1.00 0.00 C ATOM 368 CD LYS A2587 -2.405 -4.567 5.730 1.00 0.00 C ATOM 369 CE LYS A2587 -3.137 -4.923 7.004 1.00 0.00 C ATOM 370 NZ LYS A2587 -3.403 -6.369 7.108 1.00 0.00 N ATOM 0 H LYS A2587 -3.848 -1.661 3.910 1.00 0.00 H new ATOM 0 HA LYS A2587 -1.285 -0.603 4.595 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -2.120 -3.308 3.451 1.00 0.00 H new ATOM 0 HB3 LYS A2587 -0.610 -2.967 4.273 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -1.720 -2.646 6.378 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -3.301 -2.627 5.621 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -2.925 -4.999 4.875 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -1.405 -5.001 5.748 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -2.547 -4.601 7.862 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -4.080 -4.378 7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -3.906 -6.566 7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -3.988 -6.673 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -2.503 -6.889 7.097 1.00 0.00 H new ATOM 384 N ASN A2588 0.137 -0.869 2.465 1.00 0.00 N ATOM 385 CA ASN A2588 0.887 -0.713 1.216 1.00 0.00 C ATOM 386 C ASN A2588 0.726 -1.946 0.348 1.00 0.00 C ATOM 387 O ASN A2588 0.436 -1.852 -0.841 1.00 0.00 O ATOM 388 CB ASN A2588 2.377 -0.465 1.515 1.00 0.00 C ATOM 389 CG ASN A2588 3.278 -0.540 0.283 1.00 0.00 C ATOM 390 OD1 ASN A2588 3.797 -1.606 -0.059 1.00 0.00 O ATOM 391 ND2 ASN A2588 3.485 0.570 -0.370 1.00 0.00 N ATOM 0 H ASN A2588 0.719 -0.852 3.302 1.00 0.00 H new ATOM 0 HA ASN A2588 0.490 0.148 0.678 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.487 0.518 1.973 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.717 -1.198 2.247 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.091 0.574 -1.190 1.00 0.00 H new ATOM 0 HD22 ASN A2588 3.040 1.434 -0.061 1.00 0.00 H new ATOM 398 N LYS A2589 0.871 -3.097 0.962 1.00 0.00 N ATOM 399 CA LYS A2589 0.764 -4.359 0.254 1.00 0.00 C ATOM 400 C LYS A2589 -0.667 -4.643 -0.227 1.00 0.00 C ATOM 401 O LYS A2589 -0.875 -5.118 -1.337 1.00 0.00 O ATOM 402 CB LYS A2589 1.303 -5.512 1.118 1.00 0.00 C ATOM 403 CG LYS A2589 0.755 -5.549 2.554 1.00 0.00 C ATOM 404 CD LYS A2589 1.261 -6.764 3.324 1.00 0.00 C ATOM 405 CE LYS A2589 0.647 -8.056 2.804 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.785 -8.190 3.163 1.00 0.00 N ATOM 0 H LYS A2589 1.065 -3.189 1.959 1.00 0.00 H new ATOM 0 HA LYS A2589 1.381 -4.280 -0.641 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.066 -6.457 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.390 -5.439 1.160 1.00 0.00 H new ATOM 0 HG2 LYS A2589 1.048 -4.639 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.335 -5.564 2.527 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.347 -6.819 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A2589 1.025 -6.649 4.382 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.751 -8.093 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.200 -8.905 3.207 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -1.146 -9.101 2.815 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -0.889 -8.148 4.197 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -1.326 -7.415 2.729 1.00 0.00 H new ATOM 420 N ASP A2590 -1.639 -4.307 0.594 1.00 0.00 N ATOM 421 CA ASP A2590 -3.056 -4.584 0.293 1.00 0.00 C ATOM 422 C ASP A2590 -3.695 -3.479 -0.530 1.00 0.00 C ATOM 423 O ASP A2590 -4.858 -3.589 -0.927 1.00 0.00 O ATOM 424 CB ASP A2590 -3.867 -4.790 1.583 1.00 0.00 C ATOM 425 CG ASP A2590 -3.462 -6.018 2.360 1.00 0.00 C ATOM 426 OD1 ASP A2590 -2.342 -6.066 2.880 1.00 0.00 O ATOM 427 OD2 ASP A2590 -4.260 -6.982 2.453 1.00 0.00 O ATOM 0 H ASP A2590 -1.487 -3.837 1.486 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.071 -5.501 -0.295 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.751 -3.913 2.219 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.925 -4.863 1.330 1.00 0.00 H new ATOM 432 N LEU A2591 -2.923 -2.430 -0.800 1.00 0.00 N ATOM 433 CA LEU A2591 -3.383 -1.263 -1.541 1.00 0.00 C ATOM 434 C LEU A2591 -3.990 -1.660 -2.882 1.00 0.00 C ATOM 435 O LEU A2591 -5.111 -1.296 -3.189 1.00 0.00 O ATOM 436 CB LEU A2591 -2.219 -0.292 -1.772 1.00 0.00 C ATOM 437 CG LEU A2591 -2.556 1.012 -2.495 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.497 1.873 -1.667 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.290 1.769 -2.864 1.00 0.00 C ATOM 0 H LEU A2591 -1.948 -2.367 -0.506 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.155 -0.775 -0.946 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.784 -0.044 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.449 -0.811 -2.344 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.074 0.760 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.718 2.793 -2.207 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.423 1.328 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.025 2.116 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.555 2.693 -3.377 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.730 2.004 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.676 1.153 -3.521 1.00 0.00 H new ATOM 451 N VAL A2592 -3.262 -2.462 -3.632 1.00 0.00 N ATOM 452 CA VAL A2592 -3.683 -2.884 -4.966 1.00 0.00 C ATOM 453 C VAL A2592 -5.038 -3.606 -4.955 1.00 0.00 C ATOM 454 O VAL A2592 -5.860 -3.403 -5.836 1.00 0.00 O ATOM 455 CB VAL A2592 -2.606 -3.758 -5.655 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.358 -2.935 -5.937 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.249 -4.953 -4.790 1.00 0.00 C ATOM 0 H VAL A2592 -2.362 -2.843 -3.341 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.807 -1.971 -5.548 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.016 -4.120 -6.598 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.610 -3.563 -6.421 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.612 -2.102 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.957 -2.550 -5.000 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.491 -5.553 -5.293 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.860 -4.606 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.139 -5.559 -4.622 1.00 0.00 H new ATOM 467 N GLU A2593 -5.271 -4.392 -3.927 1.00 0.00 N ATOM 468 CA GLU A2593 -6.505 -5.122 -3.774 1.00 0.00 C ATOM 469 C GLU A2593 -7.641 -4.172 -3.463 1.00 0.00 C ATOM 470 O GLU A2593 -8.717 -4.269 -4.043 1.00 0.00 O ATOM 471 CB GLU A2593 -6.358 -6.153 -2.672 1.00 0.00 C ATOM 472 CG GLU A2593 -5.356 -7.241 -2.995 1.00 0.00 C ATOM 473 CD GLU A2593 -5.744 -8.010 -4.234 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.573 -8.936 -4.128 1.00 0.00 O ATOM 475 OE2 GLU A2593 -5.241 -7.701 -5.331 1.00 0.00 O ATOM 0 H GLU A2593 -4.604 -4.542 -3.170 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.733 -5.635 -4.708 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.054 -5.651 -1.753 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.329 -6.609 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.370 -6.797 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.279 -7.926 -2.151 1.00 0.00 H new ATOM 482 N TRP A2594 -7.371 -3.229 -2.578 1.00 0.00 N ATOM 483 CA TRP A2594 -8.345 -2.214 -2.175 1.00 0.00 C ATOM 484 C TRP A2594 -8.761 -1.408 -3.415 1.00 0.00 C ATOM 485 O TRP A2594 -9.921 -1.084 -3.604 1.00 0.00 O ATOM 486 CB TRP A2594 -7.705 -1.286 -1.123 1.00 0.00 C ATOM 487 CG TRP A2594 -8.683 -0.496 -0.295 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.221 -0.888 0.893 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.232 0.811 -0.567 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.059 0.076 1.375 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.090 1.123 0.507 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.089 1.743 -1.599 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.800 2.317 0.577 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.795 2.923 -1.522 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.639 3.202 -0.442 1.00 0.00 C ATOM 0 H TRP A2594 -6.468 -3.140 -2.113 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.226 -2.685 -1.739 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.089 -1.888 -0.455 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.037 -0.591 -1.632 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.014 -1.828 1.384 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.581 0.020 2.250 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.439 1.542 -2.438 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.454 2.533 1.409 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.695 3.650 -2.314 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.174 4.140 -0.417 1.00 0.00 H new ATOM 506 N LEU A2595 -7.792 -1.158 -4.271 1.00 0.00 N ATOM 507 CA LEU A2595 -7.971 -0.427 -5.535 1.00 0.00 C ATOM 508 C LEU A2595 -8.838 -1.199 -6.522 1.00 0.00 C ATOM 509 O LEU A2595 -9.553 -0.615 -7.336 1.00 0.00 O ATOM 510 CB LEU A2595 -6.606 -0.117 -6.146 1.00 0.00 C ATOM 511 CG LEU A2595 -5.881 1.152 -5.656 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.132 1.446 -4.177 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.394 1.019 -5.913 1.00 0.00 C ATOM 0 H LEU A2595 -6.830 -1.459 -4.115 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.491 0.505 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.953 -0.970 -5.962 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.731 -0.038 -7.226 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.287 1.993 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.596 2.351 -3.890 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.200 1.588 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.779 0.609 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -3.883 1.917 -5.566 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.008 0.152 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.219 0.892 -6.981 1.00 0.00 H new ATOM 525 N LYS A2596 -8.738 -2.501 -6.481 1.00 0.00 N ATOM 526 CA LYS A2596 -9.556 -3.350 -7.330 1.00 0.00 C ATOM 527 C LYS A2596 -10.988 -3.362 -6.842 1.00 0.00 C ATOM 528 O LYS A2596 -11.937 -3.383 -7.642 1.00 0.00 O ATOM 529 CB LYS A2596 -9.012 -4.762 -7.359 1.00 0.00 C ATOM 530 CG LYS A2596 -7.643 -4.863 -7.970 1.00 0.00 C ATOM 531 CD LYS A2596 -7.154 -6.280 -7.957 1.00 0.00 C ATOM 532 CE LYS A2596 -5.807 -6.411 -8.635 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.858 -5.965 -10.046 1.00 0.00 N ATOM 0 H LYS A2596 -8.098 -3.006 -5.868 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.529 -2.944 -8.341 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -8.977 -5.151 -6.341 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.699 -5.396 -7.919 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.670 -4.493 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -6.947 -4.229 -7.420 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.079 -6.630 -6.928 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.879 -6.920 -8.460 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -5.068 -5.821 -8.093 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.478 -7.449 -8.593 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -5.026 -6.327 -10.555 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.723 -6.329 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.861 -4.926 -10.082 1.00 0.00 H new ATOM 547 N LEU A2597 -11.132 -3.330 -5.540 1.00 0.00 N ATOM 548 CA LEU A2597 -12.428 -3.339 -4.904 1.00 0.00 C ATOM 549 C LEU A2597 -13.084 -1.971 -5.021 1.00 0.00 C ATOM 550 O LEU A2597 -14.300 -1.868 -5.160 1.00 0.00 O ATOM 551 CB LEU A2597 -12.292 -3.739 -3.429 1.00 0.00 C ATOM 552 CG LEU A2597 -11.597 -5.081 -3.152 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.488 -5.332 -1.659 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.317 -6.231 -3.842 1.00 0.00 C ATOM 0 H LEU A2597 -10.349 -3.297 -4.887 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.059 -4.071 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.741 -2.954 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.289 -3.772 -2.990 1.00 0.00 H new ATOM 0 HG LEU A2597 -10.590 -5.025 -3.565 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -10.993 -6.287 -1.486 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -10.907 -4.533 -1.197 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -12.486 -5.356 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.800 -7.166 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -13.342 -6.290 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.325 -6.061 -4.919 1.00 0.00 H new ATOM 566 N HIS A2598 -12.276 -0.926 -4.985 1.00 0.00 N ATOM 567 CA HIS A2598 -12.771 0.438 -5.067 1.00 0.00 C ATOM 568 C HIS A2598 -12.074 1.205 -6.183 1.00 0.00 C ATOM 569 O HIS A2598 -11.152 1.968 -5.933 1.00 0.00 O ATOM 570 CB HIS A2598 -12.572 1.193 -3.743 1.00 0.00 C ATOM 571 CG HIS A2598 -13.179 0.504 -2.549 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.526 0.517 -2.248 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.596 -0.252 -1.586 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.711 -0.205 -1.143 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.571 -0.699 -0.698 1.00 0.00 N ATOM 0 H HIS A2598 -11.262 -0.998 -4.898 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.838 0.373 -5.280 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.504 1.326 -3.569 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -13.006 2.188 -3.835 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.541 -0.473 -1.518 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.670 -0.365 -0.673 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.433 -1.286 0.125 1.00 0.00 H new ATOM 583 N PRO A2599 -12.490 1.010 -7.439 1.00 0.00 N ATOM 584 CA PRO A2599 -11.874 1.702 -8.584 1.00 0.00 C ATOM 585 C PRO A2599 -12.281 3.177 -8.635 1.00 0.00 C ATOM 586 O PRO A2599 -11.657 4.004 -9.303 1.00 0.00 O ATOM 587 CB PRO A2599 -12.448 0.953 -9.784 1.00 0.00 C ATOM 588 CG PRO A2599 -13.755 0.418 -9.313 1.00 0.00 C ATOM 589 CD PRO A2599 -13.567 0.090 -7.861 1.00 0.00 C ATOM 0 HA PRO A2599 -10.785 1.699 -8.541 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.578 1.617 -10.639 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.784 0.149 -10.103 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.549 1.153 -9.448 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.041 -0.468 -9.880 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.481 0.253 -7.291 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.284 -0.953 -7.718 1.00 0.00 H new ATOM 597 N THR A2600 -13.297 3.491 -7.887 1.00 0.00 N ATOM 598 CA THR A2600 -13.875 4.789 -7.824 1.00 0.00 C ATOM 599 C THR A2600 -13.295 5.583 -6.648 1.00 0.00 C ATOM 600 O THR A2600 -13.883 6.581 -6.173 1.00 0.00 O ATOM 601 CB THR A2600 -15.378 4.603 -7.665 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.602 3.541 -6.714 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.022 4.237 -8.997 1.00 0.00 C ATOM 0 H THR A2600 -13.761 2.816 -7.280 1.00 0.00 H new ATOM 0 HA THR A2600 -13.654 5.354 -8.729 1.00 0.00 H new ATOM 0 HB THR A2600 -15.824 5.534 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.565 3.406 -6.595 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.096 4.109 -8.859 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.841 5.033 -9.719 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.590 3.307 -9.366 1.00 0.00 H new ATOM 611 N TYR A2601 -12.136 5.157 -6.193 1.00 0.00 N ATOM 612 CA TYR A2601 -11.472 5.809 -5.100 1.00 0.00 C ATOM 613 C TYR A2601 -10.580 6.938 -5.658 1.00 0.00 C ATOM 614 O TYR A2601 -10.503 7.151 -6.870 1.00 0.00 O ATOM 615 CB TYR A2601 -10.600 4.795 -4.314 1.00 0.00 C ATOM 616 CG TYR A2601 -9.203 4.609 -4.877 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.991 4.065 -6.133 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.107 5.016 -4.148 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.733 3.949 -6.646 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.843 4.896 -4.643 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.651 4.364 -5.896 1.00 0.00 C ATOM 622 OH TYR A2601 -5.377 4.268 -6.415 1.00 0.00 O ATOM 0 H TYR A2601 -11.635 4.353 -6.572 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.218 6.223 -4.422 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.521 5.126 -3.279 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.106 3.830 -4.302 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.836 3.727 -6.715 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.252 5.439 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.584 3.535 -7.632 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.997 5.217 -4.054 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.731 4.604 -5.759 1.00 0.00 H new ATOM 632 N THR A2602 -9.941 7.647 -4.792 1.00 0.00 N ATOM 633 CA THR A2602 -8.966 8.635 -5.140 1.00 0.00 C ATOM 634 C THR A2602 -7.939 8.681 -4.011 1.00 0.00 C ATOM 635 O THR A2602 -8.304 8.506 -2.847 1.00 0.00 O ATOM 636 CB THR A2602 -9.641 10.021 -5.331 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.576 9.946 -6.420 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.630 11.110 -5.627 1.00 0.00 C ATOM 0 H THR A2602 -10.085 7.555 -3.786 1.00 0.00 H new ATOM 0 HA THR A2602 -8.480 8.381 -6.082 1.00 0.00 H new ATOM 0 HB THR A2602 -10.147 10.274 -4.400 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.562 9.043 -6.801 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.147 12.062 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A2602 -7.925 11.187 -4.799 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.090 10.866 -6.542 1.00 0.00 H new ATOM 646 N VAL A2603 -6.667 8.806 -4.341 1.00 0.00 N ATOM 647 CA VAL A2603 -5.653 8.960 -3.318 1.00 0.00 C ATOM 648 C VAL A2603 -5.861 10.324 -2.686 1.00 0.00 C ATOM 649 O VAL A2603 -5.847 11.345 -3.390 1.00 0.00 O ATOM 650 CB VAL A2603 -4.208 8.831 -3.884 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.172 8.977 -2.774 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.022 7.497 -4.591 1.00 0.00 C ATOM 0 H VAL A2603 -6.315 8.804 -5.298 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.755 8.162 -2.583 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.062 9.635 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.171 8.883 -3.196 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.277 9.955 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.326 8.198 -2.028 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.005 7.429 -4.978 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.197 6.684 -3.886 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.730 7.421 -5.416 1.00 0.00 H new ATOM 662 N ASP A2604 -6.069 10.339 -1.381 1.00 0.00 N ATOM 663 CA ASP A2604 -6.463 11.554 -0.683 1.00 0.00 C ATOM 664 C ASP A2604 -5.351 12.561 -0.664 1.00 0.00 C ATOM 665 O ASP A2604 -5.581 13.767 -0.793 1.00 0.00 O ATOM 666 CB ASP A2604 -6.967 11.264 0.734 1.00 0.00 C ATOM 667 CG ASP A2604 -7.411 12.524 1.456 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.311 13.230 0.958 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.898 12.814 2.548 1.00 0.00 O ATOM 0 H ASP A2604 -5.972 9.521 -0.780 1.00 0.00 H new ATOM 0 HA ASP A2604 -7.295 11.984 -1.241 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.800 10.563 0.685 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.176 10.779 1.307 1.00 0.00 H new