USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=8 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= -0.171 K(o=-0.17,f=-8.2!) USER MOD Single : A2578 THR OG1 : rot 180:sc= 0 USER MOD Single : A2587 LYS NZ :NH3+ 161:sc= 1.32 (180deg=1.14) USER MOD Single : A2588 ASN :FLIP amide:sc= -0.289 F(o=-0.86,f=-0.29) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2596 LYS NZ :NH3+ -170:sc=-0.00645 (180deg=-0.151) USER MOD Single : A2598 HIS : no HD1:sc=-0.00225 X(o=-0.0023,f=-0.0023) USER MOD Single : A2600 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A2601 TYR OH : rot 180:sc=-0.00553 USER MOD Single : A2602 THR OG1 : rot 2:sc= 0.24 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.728 -2.375 2.317 1.00 0.00 N ATOM 33 CA PRO A2565 4.384 -2.966 2.407 1.00 0.00 C ATOM 34 C PRO A2565 3.606 -2.562 3.665 1.00 0.00 C ATOM 35 O PRO A2565 2.367 -2.639 3.687 1.00 0.00 O ATOM 36 CB PRO A2565 4.680 -4.468 2.460 1.00 0.00 C ATOM 37 CG PRO A2565 5.937 -4.625 1.703 1.00 0.00 C ATOM 38 CD PRO A2565 6.747 -3.410 2.009 1.00 0.00 C ATOM 0 HA PRO A2565 3.758 -2.637 1.578 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.790 -4.815 3.488 1.00 0.00 H new ATOM 0 HB3 PRO A2565 3.872 -5.048 2.013 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.463 -5.532 2.002 1.00 0.00 H new ATOM 0 HG3 PRO A2565 5.742 -4.707 0.634 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.416 -3.577 2.853 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.369 -3.120 1.162 1.00 0.00 H new ATOM 46 N ASP A2566 4.311 -2.098 4.682 1.00 0.00 N ATOM 47 CA ASP A2566 3.676 -1.802 5.954 1.00 0.00 C ATOM 48 C ASP A2566 3.220 -0.332 6.042 1.00 0.00 C ATOM 49 O ASP A2566 2.351 0.024 6.853 1.00 0.00 O ATOM 50 CB ASP A2566 4.605 -2.193 7.108 1.00 0.00 C ATOM 51 CG ASP A2566 4.019 -1.929 8.473 1.00 0.00 C ATOM 52 OD1 ASP A2566 3.122 -2.706 8.918 1.00 0.00 O ATOM 53 OD2 ASP A2566 4.448 -0.953 9.133 1.00 0.00 O ATOM 0 H ASP A2566 5.315 -1.919 4.653 1.00 0.00 H new ATOM 0 HA ASP A2566 2.769 -2.402 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A2566 4.847 -3.252 7.025 1.00 0.00 H new ATOM 0 HB3 ASP A2566 5.541 -1.643 7.012 1.00 0.00 H new ATOM 58 N THR A2567 3.778 0.500 5.193 1.00 0.00 N ATOM 59 CA THR A2567 3.433 1.908 5.131 1.00 0.00 C ATOM 60 C THR A2567 1.967 2.101 4.715 1.00 0.00 C ATOM 61 O THR A2567 1.470 1.413 3.839 1.00 0.00 O ATOM 62 CB THR A2567 4.392 2.655 4.166 1.00 0.00 C ATOM 63 OG1 THR A2567 5.695 2.697 4.746 1.00 0.00 O ATOM 64 CG2 THR A2567 3.939 4.074 3.865 1.00 0.00 C ATOM 0 H THR A2567 4.490 0.220 4.519 1.00 0.00 H new ATOM 0 HA THR A2567 3.549 2.334 6.128 1.00 0.00 H new ATOM 0 HB THR A2567 4.395 2.108 3.223 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.307 3.166 4.141 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.649 4.546 3.185 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.953 4.050 3.401 1.00 0.00 H new ATOM 0 HG23 THR A2567 3.890 4.645 4.792 1.00 0.00 H new ATOM 72 N ARG A2568 1.289 3.003 5.381 1.00 0.00 N ATOM 73 CA ARG A2568 -0.109 3.279 5.111 1.00 0.00 C ATOM 74 C ARG A2568 -0.250 4.213 3.930 1.00 0.00 C ATOM 75 O ARG A2568 0.577 5.118 3.744 1.00 0.00 O ATOM 76 CB ARG A2568 -0.767 3.905 6.326 1.00 0.00 C ATOM 77 CG ARG A2568 -0.795 3.030 7.559 1.00 0.00 C ATOM 78 CD ARG A2568 -1.630 1.787 7.334 1.00 0.00 C ATOM 79 NE ARG A2568 -1.795 1.022 8.583 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.651 0.003 8.784 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.548 -0.311 7.861 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.677 -0.614 9.956 1.00 0.00 N ATOM 0 H ARG A2568 1.688 3.571 6.129 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.600 2.334 4.879 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.244 4.830 6.567 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.791 4.175 6.067 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.222 2.744 7.827 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.199 3.595 8.399 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.609 2.069 6.945 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -1.156 1.159 6.580 1.00 0.00 H new ATOM 0 HE ARG A2568 -1.204 1.290 9.370 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.593 0.221 6.992 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -4.194 -1.084 8.020 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -2.049 -0.316 10.703 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -3.325 -1.387 10.111 1.00 0.00 H new ATOM 96 N ILE A2569 -1.274 3.999 3.132 1.00 0.00 N ATOM 97 CA ILE A2569 -1.520 4.824 1.970 1.00 0.00 C ATOM 98 C ILE A2569 -2.870 5.538 2.141 1.00 0.00 C ATOM 99 O ILE A2569 -3.921 4.906 2.033 1.00 0.00 O ATOM 100 CB ILE A2569 -1.550 3.967 0.673 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.282 3.086 0.567 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.692 4.864 -0.563 1.00 0.00 C ATOM 103 CD1 ILE A2569 1.029 3.857 0.446 1.00 0.00 C ATOM 0 H ILE A2569 -1.956 3.253 3.269 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.714 5.552 1.881 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.417 3.308 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.229 2.444 1.446 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.383 2.432 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.711 4.246 -1.461 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.619 5.434 -0.495 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.847 5.551 -0.613 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.859 3.154 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A2569 1.004 4.478 -0.449 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.161 4.490 1.323 1.00 0.00 H new ATOM 115 N PRO A2570 -2.853 6.846 2.462 1.00 0.00 N ATOM 116 CA PRO A2570 -4.077 7.625 2.689 1.00 0.00 C ATOM 117 C PRO A2570 -4.934 7.775 1.423 1.00 0.00 C ATOM 118 O PRO A2570 -4.550 8.457 0.455 1.00 0.00 O ATOM 119 CB PRO A2570 -3.571 8.988 3.177 1.00 0.00 C ATOM 120 CG PRO A2570 -2.152 9.072 2.726 1.00 0.00 C ATOM 121 CD PRO A2570 -1.638 7.663 2.632 1.00 0.00 C ATOM 0 HA PRO A2570 -4.733 7.131 3.405 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.165 9.800 2.757 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.643 9.068 4.262 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.083 9.573 1.760 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.557 9.654 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -0.956 7.543 1.790 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.089 7.379 3.530 1.00 0.00 H new ATOM 129 N VAL A2571 -6.091 7.145 1.428 1.00 0.00 N ATOM 130 CA VAL A2571 -6.980 7.148 0.285 1.00 0.00 C ATOM 131 C VAL A2571 -8.401 7.533 0.691 1.00 0.00 C ATOM 132 O VAL A2571 -8.760 7.477 1.868 1.00 0.00 O ATOM 133 CB VAL A2571 -6.995 5.778 -0.456 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.634 5.470 -1.066 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.410 4.654 0.482 1.00 0.00 C ATOM 0 H VAL A2571 -6.442 6.616 2.226 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.592 7.897 -0.405 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.728 5.849 -1.260 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.674 4.508 -1.577 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.371 6.250 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.882 5.431 -0.278 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.412 3.709 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.706 4.594 1.312 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.410 4.853 0.868 1.00 0.00 H new ATOM 145 N ILE A2572 -9.192 7.924 -0.273 1.00 0.00 N ATOM 146 CA ILE A2572 -10.553 8.340 -0.040 1.00 0.00 C ATOM 147 C ILE A2572 -11.480 7.751 -1.117 1.00 0.00 C ATOM 148 O ILE A2572 -11.097 7.633 -2.284 1.00 0.00 O ATOM 149 CB ILE A2572 -10.663 9.915 0.001 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.123 10.372 0.214 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.061 10.549 -1.258 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.312 11.870 0.316 1.00 0.00 C ATOM 0 H ILE A2572 -8.909 7.964 -1.252 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.869 7.961 0.932 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.082 10.262 0.855 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.729 9.999 -0.611 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.504 9.909 1.124 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.153 11.634 -1.199 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.008 10.277 -1.334 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.594 10.188 -2.138 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.368 12.094 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -11.738 12.253 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -11.966 12.344 -0.603 1.00 0.00 H new ATOM 164 N ASN A2573 -12.661 7.342 -0.722 1.00 0.00 N ATOM 165 CA ASN A2573 -13.645 6.846 -1.666 1.00 0.00 C ATOM 166 C ASN A2573 -14.622 7.962 -1.879 1.00 0.00 C ATOM 167 O ASN A2573 -15.302 8.363 -0.937 1.00 0.00 O ATOM 168 CB ASN A2573 -14.418 5.642 -1.113 1.00 0.00 C ATOM 169 CG ASN A2573 -15.316 4.965 -2.161 1.00 0.00 C ATOM 170 OD1 ASN A2573 -15.820 5.603 -3.084 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.551 3.701 -2.002 1.00 0.00 N ATOM 0 H ASN A2573 -12.969 7.341 0.250 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.143 6.529 -2.580 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.709 4.911 -0.725 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.032 5.967 -0.273 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.167 3.211 -2.651 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -15.120 3.196 -1.228 1.00 0.00 H new ATOM 178 N LEU A2574 -14.717 8.449 -3.080 1.00 0.00 N ATOM 179 CA LEU A2574 -15.567 9.586 -3.354 1.00 0.00 C ATOM 180 C LEU A2574 -17.042 9.194 -3.407 1.00 0.00 C ATOM 181 O LEU A2574 -17.918 9.987 -3.050 1.00 0.00 O ATOM 182 CB LEU A2574 -15.148 10.279 -4.644 1.00 0.00 C ATOM 183 CG LEU A2574 -13.712 10.816 -4.697 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.458 11.507 -6.018 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.432 11.760 -3.535 1.00 0.00 C ATOM 0 H LEU A2574 -14.219 8.082 -3.891 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.444 10.287 -2.529 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.280 9.577 -5.467 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.830 11.110 -4.822 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.031 9.969 -4.608 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.435 11.883 -6.041 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.603 10.798 -6.833 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.153 12.339 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.407 12.124 -3.601 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.120 12.604 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.569 11.228 -2.593 1.00 0.00 H new ATOM 197 N GLU A2575 -17.313 7.970 -3.802 1.00 0.00 N ATOM 198 CA GLU A2575 -18.681 7.499 -3.934 1.00 0.00 C ATOM 199 C GLU A2575 -19.276 7.169 -2.563 1.00 0.00 C ATOM 200 O GLU A2575 -20.473 7.392 -2.311 1.00 0.00 O ATOM 201 CB GLU A2575 -18.746 6.285 -4.855 1.00 0.00 C ATOM 202 CG GLU A2575 -18.205 6.530 -6.258 1.00 0.00 C ATOM 203 CD GLU A2575 -18.875 7.687 -6.955 1.00 0.00 C ATOM 204 OE1 GLU A2575 -20.108 7.717 -7.030 1.00 0.00 O ATOM 205 OE2 GLU A2575 -18.169 8.577 -7.471 1.00 0.00 O ATOM 0 H GLU A2575 -16.603 7.277 -4.039 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.274 8.298 -4.379 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.185 5.468 -4.400 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.783 5.957 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.133 6.720 -6.200 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.337 5.628 -6.855 1.00 0.00 H new ATOM 212 N ASP A2576 -18.451 6.637 -1.689 1.00 0.00 N ATOM 213 CA ASP A2576 -18.875 6.322 -0.318 1.00 0.00 C ATOM 214 C ASP A2576 -18.756 7.508 0.586 1.00 0.00 C ATOM 215 O ASP A2576 -19.603 7.736 1.449 1.00 0.00 O ATOM 216 CB ASP A2576 -18.067 5.180 0.285 1.00 0.00 C ATOM 217 CG ASP A2576 -18.620 3.830 -0.027 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.448 3.349 -1.139 1.00 0.00 O ATOM 219 OD2 ASP A2576 -19.232 3.215 0.862 1.00 0.00 O ATOM 0 H ASP A2576 -17.478 6.408 -1.891 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.920 6.022 -0.396 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -17.042 5.238 -0.081 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.026 5.306 1.367 1.00 0.00 H new ATOM 224 N GLY A2577 -17.709 8.264 0.397 1.00 0.00 N ATOM 225 CA GLY A2577 -17.447 9.372 1.264 1.00 0.00 C ATOM 226 C GLY A2577 -16.643 8.932 2.460 1.00 0.00 C ATOM 227 O GLY A2577 -16.668 9.570 3.518 1.00 0.00 O ATOM 0 H GLY A2577 -17.027 8.131 -0.349 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.906 10.146 0.720 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.388 9.813 1.594 1.00 0.00 H new ATOM 231 N THR A2578 -15.956 7.825 2.310 1.00 0.00 N ATOM 232 CA THR A2578 -15.131 7.305 3.359 1.00 0.00 C ATOM 233 C THR A2578 -13.704 7.753 3.065 1.00 0.00 C ATOM 234 O THR A2578 -13.358 7.990 1.901 1.00 0.00 O ATOM 235 CB THR A2578 -15.232 5.733 3.461 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.686 5.267 4.706 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.488 5.043 2.330 1.00 0.00 C ATOM 0 H THR A2578 -15.957 7.265 1.457 1.00 0.00 H new ATOM 0 HA THR A2578 -15.463 7.685 4.325 1.00 0.00 H new ATOM 0 HB THR A2578 -16.292 5.486 3.396 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.760 4.291 4.750 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.583 3.963 2.438 1.00 0.00 H new ATOM 0 HG22 THR A2578 -14.912 5.351 1.374 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.434 5.320 2.365 1.00 0.00 H new ATOM 245 N ARG A2579 -12.885 7.860 4.069 1.00 0.00 N ATOM 246 CA ARG A2579 -11.557 8.323 3.885 1.00 0.00 C ATOM 247 C ARG A2579 -10.731 7.651 4.887 1.00 0.00 C ATOM 248 O ARG A2579 -11.021 7.705 6.075 1.00 0.00 O ATOM 249 CB ARG A2579 -11.421 9.840 4.020 1.00 0.00 C ATOM 250 CG ARG A2579 -10.019 10.297 3.662 1.00 0.00 C ATOM 251 CD ARG A2579 -9.838 11.794 3.697 1.00 0.00 C ATOM 252 NE ARG A2579 -9.762 12.326 5.057 1.00 0.00 N ATOM 253 CZ ARG A2579 -8.998 13.374 5.412 1.00 0.00 C ATOM 254 NH1 ARG A2579 -8.171 13.949 4.529 1.00 0.00 N ATOM 255 NH2 ARG A2579 -9.033 13.818 6.657 1.00 0.00 N ATOM 0 H ARG A2579 -13.125 7.628 5.033 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.239 8.091 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.144 10.332 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.655 10.140 5.042 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.310 9.839 4.352 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.772 9.934 2.664 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -8.928 12.058 3.158 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.668 12.268 3.173 1.00 0.00 H new ATOM 0 HE ARG A2579 -10.322 11.875 5.780 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -8.116 13.592 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -7.597 14.743 4.811 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -9.638 13.366 7.343 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -8.455 14.613 6.931 1.00 0.00 H new ATOM 269 N LEU A2580 -9.728 7.019 4.441 1.00 0.00 N ATOM 270 CA LEU A2580 -8.941 6.235 5.285 1.00 0.00 C ATOM 271 C LEU A2580 -7.553 6.785 5.262 1.00 0.00 C ATOM 272 O LEU A2580 -6.851 6.687 4.251 1.00 0.00 O ATOM 273 CB LEU A2580 -8.972 4.755 4.838 1.00 0.00 C ATOM 274 CG LEU A2580 -10.363 4.096 4.617 1.00 0.00 C ATOM 275 CD1 LEU A2580 -11.342 4.357 5.750 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.946 4.420 3.246 1.00 0.00 C ATOM 0 H LEU A2580 -9.427 7.032 3.467 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.328 6.265 6.304 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.411 4.674 3.907 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.437 4.168 5.585 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.187 3.020 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -12.291 3.869 5.530 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -10.936 3.960 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -11.502 5.430 5.853 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.917 3.937 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -11.065 5.499 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.273 4.056 2.469 1.00 0.00 H new ATOM 288 N VAL A2581 -7.191 7.440 6.329 1.00 0.00 N ATOM 289 CA VAL A2581 -5.885 8.015 6.469 1.00 0.00 C ATOM 290 C VAL A2581 -5.283 7.522 7.780 1.00 0.00 C ATOM 291 O VAL A2581 -6.020 7.201 8.726 1.00 0.00 O ATOM 292 CB VAL A2581 -5.910 9.585 6.402 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.443 10.073 5.050 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.724 10.192 7.533 1.00 0.00 C ATOM 0 H VAL A2581 -7.801 7.591 7.133 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.266 7.695 5.631 1.00 0.00 H new ATOM 0 HB VAL A2581 -4.879 9.919 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.449 11.163 5.033 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.802 9.701 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.458 9.703 4.904 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.713 11.279 7.446 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.752 9.833 7.475 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.291 9.900 8.490 1.00 0.00 H new ATOM 304 N GLY A2582 -3.989 7.415 7.833 1.00 0.00 N ATOM 305 CA GLY A2582 -3.341 6.888 9.010 1.00 0.00 C ATOM 306 C GLY A2582 -3.477 5.385 9.045 1.00 0.00 C ATOM 307 O GLY A2582 -3.401 4.746 8.013 1.00 0.00 O ATOM 0 H GLY A2582 -3.357 7.684 7.079 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.287 7.166 9.010 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.786 7.323 9.905 1.00 0.00 H new ATOM 311 N GLU A2583 -3.734 4.828 10.201 1.00 0.00 N ATOM 312 CA GLU A2583 -3.911 3.385 10.342 1.00 0.00 C ATOM 313 C GLU A2583 -5.206 2.913 9.717 1.00 0.00 C ATOM 314 O GLU A2583 -5.368 1.740 9.414 1.00 0.00 O ATOM 315 CB GLU A2583 -3.851 2.990 11.790 1.00 0.00 C ATOM 316 CG GLU A2583 -2.465 3.000 12.351 1.00 0.00 C ATOM 317 CD GLU A2583 -1.616 1.894 11.767 1.00 0.00 C ATOM 318 OE1 GLU A2583 -1.792 0.730 12.165 1.00 0.00 O ATOM 319 OE2 GLU A2583 -0.798 2.143 10.864 1.00 0.00 O ATOM 0 H GLU A2583 -3.828 5.349 11.073 1.00 0.00 H new ATOM 0 HA GLU A2583 -3.094 2.899 9.808 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.475 3.670 12.371 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -4.274 1.992 11.905 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -1.997 3.963 12.148 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -2.510 2.890 13.434 1.00 0.00 H new ATOM 326 N ASP A2584 -6.127 3.835 9.545 1.00 0.00 N ATOM 327 CA ASP A2584 -7.395 3.548 8.862 1.00 0.00 C ATOM 328 C ASP A2584 -7.130 3.217 7.416 1.00 0.00 C ATOM 329 O ASP A2584 -7.863 2.451 6.788 1.00 0.00 O ATOM 330 CB ASP A2584 -8.368 4.739 8.917 1.00 0.00 C ATOM 331 CG ASP A2584 -8.938 5.004 10.280 1.00 0.00 C ATOM 332 OD1 ASP A2584 -9.913 4.333 10.673 1.00 0.00 O ATOM 333 OD2 ASP A2584 -8.439 5.904 10.983 1.00 0.00 O ATOM 0 H ASP A2584 -6.032 4.799 9.866 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.853 2.704 9.378 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.850 5.634 8.572 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.187 4.557 8.222 1.00 0.00 H new ATOM 338 N ALA A2585 -6.068 3.792 6.900 1.00 0.00 N ATOM 339 CA ALA A2585 -5.679 3.612 5.533 1.00 0.00 C ATOM 340 C ALA A2585 -5.148 2.215 5.322 1.00 0.00 C ATOM 341 O ALA A2585 -4.470 1.666 6.190 1.00 0.00 O ATOM 342 CB ALA A2585 -4.617 4.623 5.170 1.00 0.00 C ATOM 0 H ALA A2585 -5.447 4.404 7.430 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.550 3.757 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.323 4.484 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -5.012 5.630 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.748 4.486 5.814 1.00 0.00 H new ATOM 348 N PRO A2586 -5.467 1.599 4.197 1.00 0.00 N ATOM 349 CA PRO A2586 -4.929 0.299 3.867 1.00 0.00 C ATOM 350 C PRO A2586 -3.407 0.394 3.716 1.00 0.00 C ATOM 351 O PRO A2586 -2.878 1.435 3.258 1.00 0.00 O ATOM 352 CB PRO A2586 -5.595 -0.052 2.522 1.00 0.00 C ATOM 353 CG PRO A2586 -6.084 1.250 1.974 1.00 0.00 C ATOM 354 CD PRO A2586 -6.371 2.119 3.158 1.00 0.00 C ATOM 0 HA PRO A2586 -5.123 -0.455 4.630 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.885 -0.523 1.842 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.417 -0.754 2.661 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.334 1.707 1.328 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.980 1.106 1.370 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -6.172 3.169 2.942 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.415 2.049 3.463 1.00 0.00 H new ATOM 362 N LYS A2587 -2.690 -0.626 4.163 1.00 0.00 N ATOM 363 CA LYS A2587 -1.258 -0.638 4.003 1.00 0.00 C ATOM 364 C LYS A2587 -0.893 -0.731 2.550 1.00 0.00 C ATOM 365 O LYS A2587 -1.704 -1.106 1.732 1.00 0.00 O ATOM 366 CB LYS A2587 -0.607 -1.779 4.764 1.00 0.00 C ATOM 367 CG LYS A2587 -0.867 -1.740 6.233 1.00 0.00 C ATOM 368 CD LYS A2587 -0.010 -2.717 6.972 1.00 0.00 C ATOM 369 CE LYS A2587 -0.348 -2.687 8.430 1.00 0.00 C ATOM 370 NZ LYS A2587 0.575 -3.511 9.239 1.00 0.00 N ATOM 0 H LYS A2587 -3.078 -1.444 4.633 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.884 0.298 4.417 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -0.970 -2.726 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.469 -1.752 4.593 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.680 -0.734 6.609 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -1.917 -1.961 6.423 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -0.162 -3.721 6.575 1.00 0.00 H new ATOM 0 HD3 LYS A2587 1.043 -2.473 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -0.318 -1.657 8.786 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -1.368 -3.044 8.571 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 0.518 -3.219 10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 0.309 -4.513 9.156 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 1.548 -3.381 8.895 1.00 0.00 H new ATOM 384 N ASN A2588 0.325 -0.415 2.266 1.00 0.00 N ATOM 385 CA ASN A2588 0.902 -0.414 0.916 1.00 0.00 C ATOM 386 C ASN A2588 0.654 -1.740 0.189 1.00 0.00 C ATOM 387 O ASN A2588 0.368 -1.762 -1.014 1.00 0.00 O ATOM 388 CB ASN A2588 2.398 -0.138 1.045 1.00 0.00 C ATOM 389 CG ASN A2588 3.147 -0.117 -0.275 1.00 0.00 C ATOM 390 OD1 ASN A2588 3.314 1.051 -0.844 1.00 0.00 O flip ATOM 391 ND2 ASN A2588 3.600 -1.148 -0.762 1.00 0.00 N flip ATOM 0 H ASN A2588 0.995 -0.134 2.982 1.00 0.00 H new ATOM 0 HA ASN A2588 0.422 0.360 0.318 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.537 0.822 1.543 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.841 -0.898 1.688 1.00 0.00 H new ATOM 0 HD21 ASN A2588 3.452 -2.042 -0.293 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.125 -1.112 -1.636 1.00 0.00 H new ATOM 398 N LYS A2589 0.696 -2.825 0.940 1.00 0.00 N ATOM 399 CA LYS A2589 0.484 -4.160 0.396 1.00 0.00 C ATOM 400 C LYS A2589 -1.000 -4.442 0.133 1.00 0.00 C ATOM 401 O LYS A2589 -1.356 -5.286 -0.682 1.00 0.00 O ATOM 402 CB LYS A2589 1.037 -5.207 1.356 1.00 0.00 C ATOM 403 CG LYS A2589 0.400 -5.199 2.745 1.00 0.00 C ATOM 404 CD LYS A2589 1.053 -6.224 3.649 1.00 0.00 C ATOM 405 CE LYS A2589 0.324 -6.366 4.974 1.00 0.00 C ATOM 406 NZ LYS A2589 0.940 -7.408 5.825 1.00 0.00 N ATOM 0 H LYS A2589 0.878 -2.809 1.944 1.00 0.00 H new ATOM 0 HA LYS A2589 1.011 -4.212 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A2589 0.900 -6.194 0.914 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.111 -5.052 1.463 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.495 -4.207 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.666 -5.410 2.661 1.00 0.00 H new ATOM 0 HD2 LYS A2589 1.076 -7.189 3.144 1.00 0.00 H new ATOM 0 HD3 LYS A2589 2.088 -5.936 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.335 -5.412 5.500 1.00 0.00 H new ATOM 0 HE3 LYS A2589 -0.721 -6.616 4.790 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 0.417 -7.478 6.721 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 0.907 -8.323 5.332 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 1.930 -7.156 6.020 1.00 0.00 H new ATOM 420 N ASP A2590 -1.856 -3.736 0.820 1.00 0.00 N ATOM 421 CA ASP A2590 -3.296 -3.959 0.711 1.00 0.00 C ATOM 422 C ASP A2590 -3.924 -2.913 -0.151 1.00 0.00 C ATOM 423 O ASP A2590 -5.098 -3.009 -0.510 1.00 0.00 O ATOM 424 CB ASP A2590 -3.962 -3.959 2.072 1.00 0.00 C ATOM 425 CG ASP A2590 -3.433 -5.031 2.978 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.650 -6.224 2.688 1.00 0.00 O ATOM 427 OD2 ASP A2590 -2.803 -4.696 3.999 1.00 0.00 O ATOM 0 H ASP A2590 -1.592 -2.994 1.468 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.440 -4.939 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.816 -2.987 2.543 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.036 -4.094 1.946 1.00 0.00 H new ATOM 432 N LEU A2591 -3.133 -1.913 -0.469 1.00 0.00 N ATOM 433 CA LEU A2591 -3.500 -0.821 -1.335 1.00 0.00 C ATOM 434 C LEU A2591 -3.991 -1.386 -2.650 1.00 0.00 C ATOM 435 O LEU A2591 -5.105 -1.133 -3.058 1.00 0.00 O ATOM 436 CB LEU A2591 -2.253 0.123 -1.493 1.00 0.00 C ATOM 437 CG LEU A2591 -2.298 1.319 -2.487 1.00 0.00 C ATOM 438 CD1 LEU A2591 -2.111 0.893 -3.916 1.00 0.00 C ATOM 439 CD2 LEU A2591 -3.554 2.151 -2.293 1.00 0.00 C ATOM 0 H LEU A2591 -2.179 -1.838 -0.116 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.313 -0.225 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -2.029 0.530 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.408 -0.503 -1.779 1.00 0.00 H new ATOM 0 HG LEU A2591 -1.446 1.957 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -2.151 1.768 -4.565 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -1.143 0.404 -4.026 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -2.903 0.198 -4.195 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -3.555 2.979 -3.002 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -4.433 1.528 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -3.577 2.544 -1.277 1.00 0.00 H new ATOM 451 N VAL A2592 -3.185 -2.232 -3.243 1.00 0.00 N ATOM 452 CA VAL A2592 -3.502 -2.831 -4.528 1.00 0.00 C ATOM 453 C VAL A2592 -4.796 -3.652 -4.479 1.00 0.00 C ATOM 454 O VAL A2592 -5.573 -3.646 -5.422 1.00 0.00 O ATOM 455 CB VAL A2592 -2.339 -3.688 -5.053 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.156 -2.802 -5.374 1.00 0.00 C ATOM 457 CG2 VAL A2592 -1.934 -4.731 -4.024 1.00 0.00 C ATOM 0 H VAL A2592 -2.290 -2.528 -2.854 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.660 -2.007 -5.224 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.667 -4.201 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.334 -3.413 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.441 -2.076 -6.135 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.839 -2.277 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.109 -5.327 -4.415 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.619 -4.234 -3.107 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -2.783 -5.381 -3.811 1.00 0.00 H new ATOM 467 N GLU A2593 -5.025 -4.305 -3.352 1.00 0.00 N ATOM 468 CA GLU A2593 -6.209 -5.104 -3.129 1.00 0.00 C ATOM 469 C GLU A2593 -7.439 -4.224 -3.063 1.00 0.00 C ATOM 470 O GLU A2593 -8.409 -4.449 -3.762 1.00 0.00 O ATOM 471 CB GLU A2593 -6.068 -5.872 -1.826 1.00 0.00 C ATOM 472 CG GLU A2593 -5.058 -6.990 -1.865 1.00 0.00 C ATOM 473 CD GLU A2593 -5.475 -8.067 -2.818 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.480 -8.748 -2.551 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.831 -8.242 -3.860 1.00 0.00 O ATOM 0 H GLU A2593 -4.383 -4.292 -2.559 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.319 -5.802 -3.959 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -5.789 -5.174 -1.036 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.039 -6.286 -1.556 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.086 -6.595 -2.162 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.939 -7.411 -0.867 1.00 0.00 H new ATOM 482 N TRP A2594 -7.348 -3.187 -2.261 1.00 0.00 N ATOM 483 CA TRP A2594 -8.454 -2.267 -2.008 1.00 0.00 C ATOM 484 C TRP A2594 -8.844 -1.558 -3.318 1.00 0.00 C ATOM 485 O TRP A2594 -10.001 -1.271 -3.552 1.00 0.00 O ATOM 486 CB TRP A2594 -7.999 -1.258 -0.938 1.00 0.00 C ATOM 487 CG TRP A2594 -9.088 -0.508 -0.235 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.788 -0.937 0.858 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.582 0.805 -0.533 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.688 0.018 1.250 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.586 1.093 0.414 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.287 1.761 -1.506 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.285 2.294 0.417 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.984 2.946 -1.494 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.971 3.205 -0.543 1.00 0.00 C ATOM 0 H TRP A2594 -6.495 -2.948 -1.755 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.333 -2.801 -1.646 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.412 -1.792 -0.190 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.333 -0.535 -1.409 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.651 -1.892 1.343 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -11.330 -0.061 2.038 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.528 1.574 -2.252 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -12.049 2.496 1.154 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.762 3.695 -2.240 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.497 4.148 -0.569 1.00 0.00 H new ATOM 506 N LEU A2595 -7.860 -1.345 -4.174 1.00 0.00 N ATOM 507 CA LEU A2595 -8.059 -0.703 -5.486 1.00 0.00 C ATOM 508 C LEU A2595 -8.849 -1.588 -6.427 1.00 0.00 C ATOM 509 O LEU A2595 -9.611 -1.105 -7.264 1.00 0.00 O ATOM 510 CB LEU A2595 -6.714 -0.334 -6.100 1.00 0.00 C ATOM 511 CG LEU A2595 -6.121 1.023 -5.705 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.320 1.338 -4.233 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.649 1.050 -6.044 1.00 0.00 C ATOM 0 H LEU A2595 -6.892 -1.609 -3.989 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.639 0.207 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.995 -1.109 -5.834 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.819 -0.356 -7.185 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.651 1.789 -6.271 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.882 2.310 -4.006 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.386 1.359 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.836 0.571 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.228 2.015 -5.763 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.136 0.258 -5.499 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.519 0.896 -7.115 1.00 0.00 H new ATOM 525 N LYS A2596 -8.656 -2.882 -6.297 1.00 0.00 N ATOM 526 CA LYS A2596 -9.394 -3.854 -7.088 1.00 0.00 C ATOM 527 C LYS A2596 -10.862 -3.802 -6.702 1.00 0.00 C ATOM 528 O LYS A2596 -11.756 -3.990 -7.538 1.00 0.00 O ATOM 529 CB LYS A2596 -8.833 -5.262 -6.879 1.00 0.00 C ATOM 530 CG LYS A2596 -7.370 -5.375 -7.233 1.00 0.00 C ATOM 531 CD LYS A2596 -6.815 -6.756 -6.965 1.00 0.00 C ATOM 532 CE LYS A2596 -5.309 -6.794 -7.190 1.00 0.00 C ATOM 533 NZ LYS A2596 -4.932 -6.406 -8.563 1.00 0.00 N ATOM 0 H LYS A2596 -7.988 -3.293 -5.645 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.289 -3.608 -8.145 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -8.972 -5.551 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.403 -5.967 -7.484 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.234 -5.130 -8.287 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -6.803 -4.641 -6.660 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.040 -7.049 -5.940 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.302 -7.480 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -4.822 -6.125 -6.480 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -4.940 -7.799 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -3.924 -6.609 -8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -5.502 -6.946 -9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.105 -5.389 -8.696 1.00 0.00 H new ATOM 547 N LEU A2597 -11.098 -3.509 -5.445 1.00 0.00 N ATOM 548 CA LEU A2597 -12.433 -3.369 -4.911 1.00 0.00 C ATOM 549 C LEU A2597 -13.013 -1.998 -5.223 1.00 0.00 C ATOM 550 O LEU A2597 -14.219 -1.867 -5.423 1.00 0.00 O ATOM 551 CB LEU A2597 -12.458 -3.584 -3.380 1.00 0.00 C ATOM 552 CG LEU A2597 -12.417 -5.025 -2.839 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.168 -5.772 -3.242 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.571 -5.023 -1.333 1.00 0.00 C ATOM 0 H LEU A2597 -10.361 -3.359 -4.756 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.041 -4.137 -5.390 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.610 -3.047 -2.956 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.361 -3.111 -2.994 1.00 0.00 H new ATOM 0 HG LEU A2597 -13.255 -5.556 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.199 -6.781 -2.830 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.111 -5.825 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -10.292 -5.250 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.540 -6.048 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -11.759 -4.451 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -13.525 -4.569 -1.065 1.00 0.00 H new ATOM 566 N HIS A2598 -12.166 -0.981 -5.276 1.00 0.00 N ATOM 567 CA HIS A2598 -12.646 0.386 -5.428 1.00 0.00 C ATOM 568 C HIS A2598 -11.960 1.151 -6.547 1.00 0.00 C ATOM 569 O HIS A2598 -11.019 1.894 -6.309 1.00 0.00 O ATOM 570 CB HIS A2598 -12.516 1.172 -4.106 1.00 0.00 C ATOM 571 CG HIS A2598 -13.244 0.518 -2.971 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.614 0.510 -2.844 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.772 -0.242 -1.959 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.921 -0.246 -1.798 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.837 -0.729 -1.218 1.00 0.00 N ATOM 0 H HIS A2598 -11.152 -1.073 -5.217 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.697 0.296 -5.701 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.461 1.269 -3.848 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.904 2.181 -4.248 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.729 -0.439 -1.759 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.929 -0.442 -1.463 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.793 -1.333 -0.397 1.00 0.00 H new ATOM 583 N PRO A2599 -12.419 0.987 -7.798 1.00 0.00 N ATOM 584 CA PRO A2599 -11.908 1.784 -8.924 1.00 0.00 C ATOM 585 C PRO A2599 -12.489 3.211 -8.860 1.00 0.00 C ATOM 586 O PRO A2599 -12.088 4.123 -9.586 1.00 0.00 O ATOM 587 CB PRO A2599 -12.434 1.035 -10.151 1.00 0.00 C ATOM 588 CG PRO A2599 -13.663 0.330 -9.675 1.00 0.00 C ATOM 589 CD PRO A2599 -13.434 0.002 -8.227 1.00 0.00 C ATOM 0 HA PRO A2599 -10.823 1.891 -8.929 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.664 1.723 -10.965 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.695 0.329 -10.529 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.543 0.962 -9.795 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -13.839 -0.576 -10.255 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.352 0.094 -7.646 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.078 -1.020 -8.100 1.00 0.00 H new ATOM 597 N THR A2600 -13.411 3.370 -7.951 1.00 0.00 N ATOM 598 CA THR A2600 -14.128 4.576 -7.676 1.00 0.00 C ATOM 599 C THR A2600 -13.436 5.389 -6.570 1.00 0.00 C ATOM 600 O THR A2600 -13.999 6.349 -6.028 1.00 0.00 O ATOM 601 CB THR A2600 -15.516 4.146 -7.205 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.352 2.968 -6.372 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.408 3.807 -8.391 1.00 0.00 C ATOM 0 H THR A2600 -13.698 2.604 -7.342 1.00 0.00 H new ATOM 0 HA THR A2600 -14.174 5.209 -8.563 1.00 0.00 H new ATOM 0 HB THR A2600 -15.986 4.958 -6.650 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.229 2.669 -6.052 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.391 3.503 -8.032 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.510 4.683 -9.031 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.962 2.991 -8.960 1.00 0.00 H new ATOM 611 N TYR A2601 -12.214 5.017 -6.244 1.00 0.00 N ATOM 612 CA TYR A2601 -11.513 5.678 -5.180 1.00 0.00 C ATOM 613 C TYR A2601 -10.648 6.819 -5.742 1.00 0.00 C ATOM 614 O TYR A2601 -10.584 7.033 -6.957 1.00 0.00 O ATOM 615 CB TYR A2601 -10.636 4.667 -4.407 1.00 0.00 C ATOM 616 CG TYR A2601 -9.199 4.542 -4.899 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.888 4.055 -6.162 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.156 4.938 -4.081 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.584 3.980 -6.589 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.855 4.863 -4.492 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.564 4.386 -5.745 1.00 0.00 C ATOM 622 OH TYR A2601 -5.246 4.315 -6.161 1.00 0.00 O ATOM 0 H TYR A2601 -11.696 4.266 -6.701 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.243 6.102 -4.490 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.619 4.955 -3.356 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.108 3.686 -4.461 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.682 3.731 -6.818 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.375 5.316 -3.093 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.356 3.607 -7.577 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -6.059 5.178 -3.833 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.659 4.640 -5.446 1.00 0.00 H new ATOM 632 N THR A2602 -10.022 7.542 -4.865 1.00 0.00 N ATOM 633 CA THR A2602 -9.076 8.570 -5.190 1.00 0.00 C ATOM 634 C THR A2602 -8.051 8.631 -4.046 1.00 0.00 C ATOM 635 O THR A2602 -8.381 8.295 -2.911 1.00 0.00 O ATOM 636 CB THR A2602 -9.816 9.925 -5.377 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.705 9.807 -6.502 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.863 11.079 -5.619 1.00 0.00 C ATOM 0 H THR A2602 -10.161 7.429 -3.861 1.00 0.00 H new ATOM 0 HA THR A2602 -8.560 8.356 -6.126 1.00 0.00 H new ATOM 0 HB THR A2602 -10.361 10.140 -4.458 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.651 8.899 -6.868 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.432 12.001 -5.743 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.190 11.180 -4.768 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.281 10.888 -6.521 1.00 0.00 H new ATOM 646 N VAL A2603 -6.816 8.953 -4.343 1.00 0.00 N ATOM 647 CA VAL A2603 -5.811 9.068 -3.305 1.00 0.00 C ATOM 648 C VAL A2603 -6.015 10.397 -2.586 1.00 0.00 C ATOM 649 O VAL A2603 -6.156 11.440 -3.240 1.00 0.00 O ATOM 650 CB VAL A2603 -4.369 8.977 -3.885 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.324 9.023 -2.777 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.202 7.710 -4.714 1.00 0.00 C ATOM 0 H VAL A2603 -6.480 9.140 -5.288 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.923 8.238 -2.607 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.217 9.842 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.327 8.957 -3.214 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.418 9.959 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.478 8.185 -2.097 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.188 7.666 -5.110 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.385 6.838 -4.086 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.914 7.719 -5.539 1.00 0.00 H new ATOM 662 N ASP A2604 -6.061 10.352 -1.262 1.00 0.00 N ATOM 663 CA ASP A2604 -6.305 11.550 -0.452 1.00 0.00 C ATOM 664 C ASP A2604 -5.155 12.514 -0.572 1.00 0.00 C ATOM 665 O ASP A2604 -5.340 13.683 -0.919 1.00 0.00 O ATOM 666 CB ASP A2604 -6.557 11.192 1.022 1.00 0.00 C ATOM 667 CG ASP A2604 -6.578 12.413 1.937 1.00 0.00 C ATOM 668 OD1 ASP A2604 -7.561 13.201 1.900 1.00 0.00 O ATOM 669 OD2 ASP A2604 -5.612 12.617 2.692 1.00 0.00 O ATOM 0 H ASP A2604 -5.933 9.498 -0.719 1.00 0.00 H new ATOM 0 HA ASP A2604 -7.205 12.031 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.508 10.666 1.105 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -5.782 10.504 1.361 1.00 0.00 H new