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 Set 1.1: A2573 ASN : amide:sc= -1.5 K(o=-0.33,f=-1!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= -0.0387 K(o=-0.33,f=-1.6) USER MOD Set 1.3: A2600 THR OG1 : rot 64:sc= 1.21 USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 47:sc= 1.18 USER MOD Single : A2587 LYS NZ :NH3+ -179:sc= 1.15 (180deg=1.12) USER MOD Single : A2588 ASN :FLIP amide:sc= -0.437 F(o=-0.97,f=-0.44) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2596 LYS NZ :NH3+ -175:sc=-0.00119 (180deg=-0.0411) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot 3:sc= 0.311 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.913 -2.001 2.078 1.00 0.00 N ATOM 33 CA PRO A2565 4.625 -2.708 2.191 1.00 0.00 C ATOM 34 C PRO A2565 3.887 -2.366 3.497 1.00 0.00 C ATOM 35 O PRO A2565 2.649 -2.446 3.576 1.00 0.00 O ATOM 36 CB PRO A2565 5.019 -4.195 2.162 1.00 0.00 C ATOM 37 CG PRO A2565 6.473 -4.227 2.501 1.00 0.00 C ATOM 38 CD PRO A2565 7.054 -2.935 2.006 1.00 0.00 C ATOM 0 HA PRO A2565 3.937 -2.428 1.394 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.435 -4.770 2.881 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.835 -4.631 1.180 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.619 -4.331 3.576 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.963 -5.079 2.029 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.885 -2.603 2.628 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.434 -3.028 0.989 1.00 0.00 H new ATOM 46 N ASP A2566 4.663 -1.935 4.483 1.00 0.00 N ATOM 47 CA ASP A2566 4.171 -1.603 5.820 1.00 0.00 C ATOM 48 C ASP A2566 3.683 -0.162 5.897 1.00 0.00 C ATOM 49 O ASP A2566 3.152 0.266 6.929 1.00 0.00 O ATOM 50 CB ASP A2566 5.282 -1.802 6.867 1.00 0.00 C ATOM 51 CG ASP A2566 5.828 -3.208 6.907 1.00 0.00 C ATOM 52 OD1 ASP A2566 6.747 -3.521 6.117 1.00 0.00 O ATOM 53 OD2 ASP A2566 5.361 -4.030 7.724 1.00 0.00 O ATOM 0 H ASP A2566 5.669 -1.803 4.378 1.00 0.00 H new ATOM 0 HA ASP A2566 3.335 -2.271 6.028 1.00 0.00 H new ATOM 0 HB2 ASP A2566 6.097 -1.110 6.656 1.00 0.00 H new ATOM 0 HB3 ASP A2566 4.892 -1.544 7.852 1.00 0.00 H new ATOM 58 N THR A2567 3.882 0.592 4.836 1.00 0.00 N ATOM 59 CA THR A2567 3.452 1.974 4.790 1.00 0.00 C ATOM 60 C THR A2567 1.930 2.026 4.587 1.00 0.00 C ATOM 61 O THR A2567 1.357 1.137 3.973 1.00 0.00 O ATOM 62 CB THR A2567 4.179 2.711 3.630 1.00 0.00 C ATOM 63 OG1 THR A2567 5.593 2.556 3.796 1.00 0.00 O ATOM 64 CG2 THR A2567 3.854 4.201 3.600 1.00 0.00 C ATOM 0 H THR A2567 4.343 0.267 3.986 1.00 0.00 H new ATOM 0 HA THR A2567 3.703 2.469 5.728 1.00 0.00 H new ATOM 0 HB THR A2567 3.838 2.272 2.693 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.060 3.016 3.068 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.385 4.673 2.773 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.781 4.337 3.467 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.164 4.660 4.539 1.00 0.00 H new ATOM 72 N ARG A2568 1.296 3.013 5.156 1.00 0.00 N ATOM 73 CA ARG A2568 -0.131 3.209 5.000 1.00 0.00 C ATOM 74 C ARG A2568 -0.386 4.202 3.870 1.00 0.00 C ATOM 75 O ARG A2568 0.359 5.175 3.718 1.00 0.00 O ATOM 76 CB ARG A2568 -0.723 3.716 6.315 1.00 0.00 C ATOM 77 CG ARG A2568 -0.655 2.708 7.461 1.00 0.00 C ATOM 78 CD ARG A2568 -1.557 1.507 7.208 1.00 0.00 C ATOM 79 NE ARG A2568 -1.444 0.483 8.257 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.433 -0.341 8.666 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.677 -0.203 8.201 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.170 -1.297 9.553 1.00 0.00 N ATOM 0 H ARG A2568 1.750 3.711 5.745 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.611 2.264 4.746 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.197 4.623 6.612 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.765 3.992 6.149 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.374 2.370 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -0.948 3.194 8.391 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.592 1.842 7.143 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -1.304 1.064 6.245 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.539 0.386 8.717 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.891 0.532 7.527 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -4.413 -0.833 8.519 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.225 -1.405 9.921 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -2.913 -1.922 9.865 1.00 0.00 H new ATOM 96 N ILE A2569 -1.401 3.947 3.068 1.00 0.00 N ATOM 97 CA ILE A2569 -1.723 4.805 1.933 1.00 0.00 C ATOM 98 C ILE A2569 -3.082 5.495 2.180 1.00 0.00 C ATOM 99 O ILE A2569 -4.129 4.851 2.103 1.00 0.00 O ATOM 100 CB ILE A2569 -1.799 3.998 0.590 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.542 3.118 0.385 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.956 4.959 -0.594 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.764 3.881 0.260 1.00 0.00 C ATOM 0 H ILE A2569 -2.024 3.147 3.179 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.926 5.543 1.841 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.667 3.342 0.646 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.462 2.426 1.223 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.681 2.517 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.008 4.388 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.871 5.539 -0.473 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.101 5.634 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.584 3.177 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.712 4.553 -0.596 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.935 4.461 1.167 1.00 0.00 H new ATOM 115 N PRO A2570 -3.074 6.797 2.528 1.00 0.00 N ATOM 116 CA PRO A2570 -4.303 7.558 2.811 1.00 0.00 C ATOM 117 C PRO A2570 -5.181 7.788 1.563 1.00 0.00 C ATOM 118 O PRO A2570 -4.921 8.680 0.739 1.00 0.00 O ATOM 119 CB PRO A2570 -3.790 8.885 3.381 1.00 0.00 C ATOM 120 CG PRO A2570 -2.403 9.019 2.854 1.00 0.00 C ATOM 121 CD PRO A2570 -1.868 7.621 2.687 1.00 0.00 C ATOM 0 HA PRO A2570 -4.956 7.016 3.495 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.415 9.719 3.063 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.799 8.877 4.471 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.400 9.551 1.903 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.781 9.592 3.542 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.215 7.545 1.818 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.284 7.311 3.553 1.00 0.00 H new ATOM 129 N VAL A2571 -6.215 6.998 1.440 1.00 0.00 N ATOM 130 CA VAL A2571 -7.082 7.027 0.279 1.00 0.00 C ATOM 131 C VAL A2571 -8.534 7.251 0.672 1.00 0.00 C ATOM 132 O VAL A2571 -8.911 7.079 1.840 1.00 0.00 O ATOM 133 CB VAL A2571 -6.975 5.722 -0.551 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.604 5.588 -1.176 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.257 4.505 0.316 1.00 0.00 C ATOM 0 H VAL A2571 -6.486 6.311 2.143 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.746 7.863 -0.334 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.721 5.776 -1.344 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.556 4.664 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.420 6.437 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.847 5.566 -0.392 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.176 3.601 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.534 4.463 1.130 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.264 4.577 0.728 1.00 0.00 H new ATOM 145 N ILE A2572 -9.335 7.649 -0.292 1.00 0.00 N ATOM 146 CA ILE A2572 -10.740 7.861 -0.075 1.00 0.00 C ATOM 147 C ILE A2572 -11.539 7.412 -1.300 1.00 0.00 C ATOM 148 O ILE A2572 -11.100 7.578 -2.440 1.00 0.00 O ATOM 149 CB ILE A2572 -11.061 9.367 0.254 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.580 9.566 0.474 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.522 10.306 -0.833 1.00 0.00 C ATOM 152 CD1 ILE A2572 -13.009 10.986 0.776 1.00 0.00 C ATOM 0 H ILE A2572 -9.026 7.833 -1.246 1.00 0.00 H new ATOM 0 HA ILE A2572 -11.032 7.262 0.788 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.551 9.625 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -13.107 9.226 -0.418 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.898 8.925 1.296 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.761 11.337 -0.574 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.441 10.192 -0.909 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.981 10.056 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -14.090 11.018 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.517 11.329 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.729 11.635 -0.054 1.00 0.00 H new ATOM 164 N ASN A2573 -12.673 6.803 -1.070 1.00 0.00 N ATOM 165 CA ASN A2573 -13.573 6.472 -2.152 1.00 0.00 C ATOM 166 C ASN A2573 -14.559 7.595 -2.242 1.00 0.00 C ATOM 167 O ASN A2573 -15.485 7.677 -1.427 1.00 0.00 O ATOM 168 CB ASN A2573 -14.323 5.175 -1.903 1.00 0.00 C ATOM 169 CG ASN A2573 -15.096 4.690 -3.137 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.548 4.015 -3.996 1.00 0.00 O ATOM 171 ND2 ASN A2573 -16.371 4.975 -3.207 1.00 0.00 N ATOM 0 H ASN A2573 -12.998 6.525 -0.144 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.002 6.337 -3.071 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.616 4.404 -1.597 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.019 5.316 -1.076 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.928 4.632 -3.990 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.808 5.540 -2.479 1.00 0.00 H new ATOM 178 N LEU A2574 -14.352 8.457 -3.197 1.00 0.00 N ATOM 179 CA LEU A2574 -15.121 9.701 -3.338 1.00 0.00 C ATOM 180 C LEU A2574 -16.603 9.468 -3.530 1.00 0.00 C ATOM 181 O LEU A2574 -17.414 10.238 -3.059 1.00 0.00 O ATOM 182 CB LEU A2574 -14.575 10.557 -4.478 1.00 0.00 C ATOM 183 CG LEU A2574 -13.146 11.073 -4.322 1.00 0.00 C ATOM 184 CD1 LEU A2574 -12.751 11.865 -5.544 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.012 11.938 -3.077 1.00 0.00 C ATOM 0 H LEU A2574 -13.641 8.331 -3.917 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.001 10.234 -2.395 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -14.628 9.974 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.235 11.415 -4.606 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.481 10.216 -4.215 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -11.731 12.230 -5.427 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -12.809 11.227 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -13.428 12.711 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -11.985 12.293 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -13.686 12.792 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.269 11.350 -2.196 1.00 0.00 H new ATOM 197 N GLU A2575 -16.950 8.382 -4.171 1.00 0.00 N ATOM 198 CA GLU A2575 -18.347 8.089 -4.449 1.00 0.00 C ATOM 199 C GLU A2575 -19.073 7.550 -3.200 1.00 0.00 C ATOM 200 O GLU A2575 -20.295 7.439 -3.177 1.00 0.00 O ATOM 201 CB GLU A2575 -18.466 7.100 -5.609 1.00 0.00 C ATOM 202 CG GLU A2575 -17.709 7.514 -6.863 1.00 0.00 C ATOM 203 CD GLU A2575 -18.046 8.906 -7.331 1.00 0.00 C ATOM 204 OE1 GLU A2575 -19.101 9.106 -7.971 1.00 0.00 O ATOM 205 OE2 GLU A2575 -17.252 9.819 -7.094 1.00 0.00 O ATOM 0 H GLU A2575 -16.292 7.682 -4.513 1.00 0.00 H new ATOM 0 HA GLU A2575 -18.831 9.023 -4.734 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.099 6.127 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.520 6.976 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -16.638 7.453 -6.669 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -17.929 6.806 -7.662 1.00 0.00 H new ATOM 212 N ASP A2576 -18.319 7.242 -2.164 1.00 0.00 N ATOM 213 CA ASP A2576 -18.902 6.647 -0.953 1.00 0.00 C ATOM 214 C ASP A2576 -18.687 7.515 0.273 1.00 0.00 C ATOM 215 O ASP A2576 -19.606 7.759 1.042 1.00 0.00 O ATOM 216 CB ASP A2576 -18.331 5.251 -0.696 1.00 0.00 C ATOM 217 CG ASP A2576 -18.826 4.653 0.599 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.191 4.885 1.640 1.00 0.00 O ATOM 219 OD2 ASP A2576 -19.846 3.936 0.594 1.00 0.00 O ATOM 0 H ASP A2576 -17.310 7.387 -2.124 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.975 6.571 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -18.601 4.594 -1.523 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.243 5.305 -0.675 1.00 0.00 H new ATOM 224 N GLY A2577 -17.477 7.970 0.458 1.00 0.00 N ATOM 225 CA GLY A2577 -17.180 8.754 1.622 1.00 0.00 C ATOM 226 C GLY A2577 -16.273 8.027 2.585 1.00 0.00 C ATOM 227 O GLY A2577 -15.963 8.543 3.661 1.00 0.00 O ATOM 0 H GLY A2577 -16.692 7.813 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.709 9.689 1.318 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.109 9.016 2.128 1.00 0.00 H new ATOM 231 N THR A2578 -15.864 6.813 2.228 1.00 0.00 N ATOM 232 CA THR A2578 -14.942 6.080 2.992 1.00 0.00 C ATOM 233 C THR A2578 -13.564 6.678 2.793 1.00 0.00 C ATOM 234 O THR A2578 -13.018 6.647 1.689 1.00 0.00 O ATOM 235 CB THR A2578 -14.938 4.624 2.532 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.171 3.961 2.870 1.00 0.00 O ATOM 237 CG2 THR A2578 -13.787 3.889 3.106 1.00 0.00 C ATOM 0 H THR A2578 -16.184 6.333 1.387 1.00 0.00 H new ATOM 0 HA THR A2578 -15.217 6.120 4.046 1.00 0.00 H new ATOM 0 HB THR A2578 -14.842 4.628 1.446 1.00 0.00 H new ATOM 0 HG1 THR A2578 -16.928 4.531 2.620 1.00 0.00 H new ATOM 0 HG21 THR A2578 -13.808 2.855 2.763 1.00 0.00 H new ATOM 0 HG22 THR A2578 -12.858 4.359 2.784 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.847 3.911 4.194 1.00 0.00 H new ATOM 245 N ARG A2579 -13.055 7.242 3.822 1.00 0.00 N ATOM 246 CA ARG A2579 -11.760 7.842 3.807 1.00 0.00 C ATOM 247 C ARG A2579 -10.938 7.224 4.878 1.00 0.00 C ATOM 248 O ARG A2579 -11.347 7.157 6.036 1.00 0.00 O ATOM 249 CB ARG A2579 -11.876 9.334 3.997 1.00 0.00 C ATOM 250 CG ARG A2579 -10.562 10.087 4.025 1.00 0.00 C ATOM 251 CD ARG A2579 -10.812 11.572 4.116 1.00 0.00 C ATOM 252 NE ARG A2579 -11.627 11.906 5.290 1.00 0.00 N ATOM 253 CZ ARG A2579 -12.555 12.872 5.333 1.00 0.00 C ATOM 254 NH1 ARG A2579 -12.732 13.688 4.298 1.00 0.00 N ATOM 255 NH2 ARG A2579 -13.296 13.018 6.419 1.00 0.00 N ATOM 0 H ARG A2579 -13.531 7.305 4.722 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.277 7.671 2.845 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.491 9.739 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.405 9.525 4.931 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.965 9.759 4.876 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.987 9.862 3.127 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -9.860 12.100 4.170 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -11.316 11.914 3.212 1.00 0.00 H new ATOM 0 HE ARG A2579 -11.475 11.361 6.139 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -12.159 13.582 3.461 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -13.441 14.420 4.341 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -13.159 12.397 7.217 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -14.004 13.751 6.459 1.00 0.00 H new ATOM 269 N LEU A2580 -9.809 6.765 4.495 1.00 0.00 N ATOM 270 CA LEU A2580 -8.947 6.054 5.362 1.00 0.00 C ATOM 271 C LEU A2580 -7.603 6.734 5.345 1.00 0.00 C ATOM 272 O LEU A2580 -6.893 6.696 4.339 1.00 0.00 O ATOM 273 CB LEU A2580 -8.846 4.636 4.838 1.00 0.00 C ATOM 274 CG LEU A2580 -10.187 3.961 4.564 1.00 0.00 C ATOM 275 CD1 LEU A2580 -9.991 2.678 3.825 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.965 3.740 5.852 1.00 0.00 C ATOM 0 H LEU A2580 -9.448 6.875 3.547 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.316 6.035 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.264 4.644 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.293 4.035 5.560 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.777 4.627 3.934 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -10.959 2.213 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.497 2.878 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.374 2.006 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.916 3.258 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.386 3.104 6.522 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.151 4.700 6.334 1.00 0.00 H new ATOM 288 N VAL A2581 -7.282 7.401 6.419 1.00 0.00 N ATOM 289 CA VAL A2581 -6.047 8.143 6.515 1.00 0.00 C ATOM 290 C VAL A2581 -5.292 7.732 7.760 1.00 0.00 C ATOM 291 O VAL A2581 -5.889 7.207 8.705 1.00 0.00 O ATOM 292 CB VAL A2581 -6.280 9.688 6.510 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.869 10.142 5.182 1.00 0.00 C ATOM 294 CG2 VAL A2581 -7.185 10.118 7.664 1.00 0.00 C ATOM 0 H VAL A2581 -7.866 7.448 7.254 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.454 7.905 5.632 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.310 10.166 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -7.023 11.221 5.202 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -6.183 9.888 4.374 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.824 9.643 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.327 11.198 7.632 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -8.151 9.622 7.573 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.723 9.841 8.612 1.00 0.00 H new ATOM 304 N GLY A2582 -3.994 7.926 7.741 1.00 0.00 N ATOM 305 CA GLY A2582 -3.181 7.578 8.871 1.00 0.00 C ATOM 306 C GLY A2582 -3.036 6.092 8.965 1.00 0.00 C ATOM 307 O GLY A2582 -2.744 5.440 7.976 1.00 0.00 O ATOM 0 H GLY A2582 -3.483 8.323 6.953 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.199 8.041 8.778 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.631 7.965 9.785 1.00 0.00 H new ATOM 311 N GLU A2583 -3.304 5.551 10.113 1.00 0.00 N ATOM 312 CA GLU A2583 -3.233 4.124 10.313 1.00 0.00 C ATOM 313 C GLU A2583 -4.528 3.460 9.883 1.00 0.00 C ATOM 314 O GLU A2583 -4.585 2.255 9.672 1.00 0.00 O ATOM 315 CB GLU A2583 -2.860 3.786 11.740 1.00 0.00 C ATOM 316 CG GLU A2583 -1.478 4.275 12.113 1.00 0.00 C ATOM 317 CD GLU A2583 -1.097 3.919 13.511 1.00 0.00 C ATOM 318 OE1 GLU A2583 -0.589 2.798 13.734 1.00 0.00 O ATOM 319 OE2 GLU A2583 -1.277 4.757 14.415 1.00 0.00 O ATOM 0 H GLU A2583 -3.578 6.079 10.941 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.438 3.726 9.682 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -3.592 4.227 12.417 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -2.908 2.706 11.878 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -0.749 3.850 11.423 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -1.436 5.358 11.994 1.00 0.00 H new ATOM 326 N ASP A2584 -5.576 4.273 9.748 1.00 0.00 N ATOM 327 CA ASP A2584 -6.895 3.803 9.276 1.00 0.00 C ATOM 328 C ASP A2584 -6.829 3.479 7.807 1.00 0.00 C ATOM 329 O ASP A2584 -7.694 2.799 7.266 1.00 0.00 O ATOM 330 CB ASP A2584 -7.994 4.856 9.498 1.00 0.00 C ATOM 331 CG ASP A2584 -8.364 5.048 10.936 1.00 0.00 C ATOM 332 OD1 ASP A2584 -7.572 5.645 11.699 1.00 0.00 O ATOM 333 OD2 ASP A2584 -9.454 4.614 11.346 1.00 0.00 O ATOM 0 H ASP A2584 -5.544 5.270 9.959 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.146 2.914 9.854 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.659 5.809 9.088 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -8.883 4.563 8.940 1.00 0.00 H new ATOM 338 N ALA A2585 -5.793 3.985 7.174 1.00 0.00 N ATOM 339 CA ALA A2585 -5.533 3.766 5.780 1.00 0.00 C ATOM 340 C ALA A2585 -5.075 2.334 5.560 1.00 0.00 C ATOM 341 O ALA A2585 -4.502 1.725 6.465 1.00 0.00 O ATOM 342 CB ALA A2585 -4.459 4.731 5.331 1.00 0.00 C ATOM 0 H ALA A2585 -5.096 4.573 7.631 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.441 3.932 5.201 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.250 4.576 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.801 5.754 5.488 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.551 4.559 5.909 1.00 0.00 H new ATOM 348 N PRO A2586 -5.338 1.759 4.383 1.00 0.00 N ATOM 349 CA PRO A2586 -4.871 0.418 4.058 1.00 0.00 C ATOM 350 C PRO A2586 -3.346 0.395 3.929 1.00 0.00 C ATOM 351 O PRO A2586 -2.711 1.442 3.667 1.00 0.00 O ATOM 352 CB PRO A2586 -5.528 0.119 2.700 1.00 0.00 C ATOM 353 CG PRO A2586 -5.832 1.454 2.119 1.00 0.00 C ATOM 354 CD PRO A2586 -6.117 2.356 3.282 1.00 0.00 C ATOM 0 HA PRO A2586 -5.127 -0.314 4.824 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.859 -0.450 2.054 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.434 -0.474 2.822 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.991 1.826 1.534 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.689 1.401 1.447 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.806 3.381 3.080 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.181 2.386 3.514 1.00 0.00 H new ATOM 362 N LYS A2587 -2.748 -0.765 4.133 1.00 0.00 N ATOM 363 CA LYS A2587 -1.316 -0.887 4.002 1.00 0.00 C ATOM 364 C LYS A2587 -0.980 -0.854 2.525 1.00 0.00 C ATOM 365 O LYS A2587 -1.827 -1.165 1.699 1.00 0.00 O ATOM 366 CB LYS A2587 -0.810 -2.201 4.638 1.00 0.00 C ATOM 367 CG LYS A2587 -1.198 -2.367 6.106 1.00 0.00 C ATOM 368 CD LYS A2587 -0.624 -3.640 6.745 1.00 0.00 C ATOM 369 CE LYS A2587 -1.157 -4.940 6.132 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.624 -5.076 6.252 1.00 0.00 N ATOM 0 H LYS A2587 -3.231 -1.627 4.388 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.827 -0.065 4.524 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.205 -3.044 4.070 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.276 -2.240 4.553 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.851 -1.499 6.667 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.285 -2.386 6.188 1.00 0.00 H new ATOM 0 HD2 LYS A2587 0.462 -3.624 6.650 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.851 -3.633 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -0.879 -4.979 5.079 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -0.678 -5.789 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -2.924 -5.981 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -2.894 -5.050 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -3.088 -4.293 5.749 1.00 0.00 H new ATOM 384 N ASN A2588 0.224 -0.485 2.199 1.00 0.00 N ATOM 385 CA ASN A2588 0.689 -0.403 0.812 1.00 0.00 C ATOM 386 C ASN A2588 0.554 -1.742 0.085 1.00 0.00 C ATOM 387 O ASN A2588 0.355 -1.797 -1.130 1.00 0.00 O ATOM 388 CB ASN A2588 2.120 0.149 0.764 1.00 0.00 C ATOM 389 CG ASN A2588 2.736 0.133 -0.618 1.00 0.00 C ATOM 390 OD1 ASN A2588 3.554 -0.858 -0.887 1.00 0.00 O flip ATOM 391 ND2 ASN A2588 2.507 1.029 -1.428 1.00 0.00 N flip ATOM 0 H ASN A2588 0.933 -0.226 2.885 1.00 0.00 H new ATOM 0 HA ASN A2588 0.046 0.294 0.275 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.117 1.173 1.138 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.747 -0.435 1.438 1.00 0.00 H new ATOM 0 HD21 ASN A2588 1.866 1.784 -1.185 1.00 0.00 H new ATOM 0 HD22 ASN A2588 2.958 1.017 -2.343 1.00 0.00 H new ATOM 398 N LYS A2589 0.618 -2.810 0.840 1.00 0.00 N ATOM 399 CA LYS A2589 0.410 -4.140 0.300 1.00 0.00 C ATOM 400 C LYS A2589 -1.093 -4.434 0.085 1.00 0.00 C ATOM 401 O LYS A2589 -1.456 -5.184 -0.817 1.00 0.00 O ATOM 402 CB LYS A2589 1.050 -5.186 1.206 1.00 0.00 C ATOM 403 CG LYS A2589 0.626 -5.078 2.660 1.00 0.00 C ATOM 404 CD LYS A2589 1.275 -6.139 3.520 1.00 0.00 C ATOM 405 CE LYS A2589 0.779 -7.529 3.178 1.00 0.00 C ATOM 406 NZ LYS A2589 1.399 -8.558 4.035 1.00 0.00 N ATOM 0 H LYS A2589 0.814 -2.788 1.841 1.00 0.00 H new ATOM 0 HA LYS A2589 0.892 -4.188 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A2589 0.795 -6.179 0.836 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.134 -5.092 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.889 -4.091 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.458 -5.168 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.357 -6.098 3.391 1.00 0.00 H new ATOM 0 HD3 LYS A2589 1.071 -5.929 4.570 1.00 0.00 H new ATOM 0 HE2 LYS A2589 -0.304 -7.566 3.291 1.00 0.00 H new ATOM 0 HE3 LYS A2589 0.998 -7.746 2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 1.035 -9.496 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 2.431 -8.539 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 1.169 -8.365 5.031 1.00 0.00 H new ATOM 420 N ASP A2590 -1.961 -3.804 0.892 1.00 0.00 N ATOM 421 CA ASP A2590 -3.434 -4.004 0.777 1.00 0.00 C ATOM 422 C ASP A2590 -3.973 -3.113 -0.288 1.00 0.00 C ATOM 423 O ASP A2590 -5.040 -3.359 -0.826 1.00 0.00 O ATOM 424 CB ASP A2590 -4.215 -3.610 2.037 1.00 0.00 C ATOM 425 CG ASP A2590 -3.821 -4.280 3.307 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.793 -5.523 3.376 1.00 0.00 O ATOM 427 OD2 ASP A2590 -3.597 -3.564 4.310 1.00 0.00 O ATOM 0 H ASP A2590 -1.683 -3.155 1.628 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.560 -5.069 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -4.116 -2.533 2.176 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.271 -3.812 1.859 1.00 0.00 H new ATOM 432 N LEU A2591 -3.226 -2.061 -0.558 1.00 0.00 N ATOM 433 CA LEU A2591 -3.570 -1.013 -1.500 1.00 0.00 C ATOM 434 C LEU A2591 -4.055 -1.602 -2.817 1.00 0.00 C ATOM 435 O LEU A2591 -5.125 -1.262 -3.284 1.00 0.00 O ATOM 436 CB LEU A2591 -2.320 -0.083 -1.662 1.00 0.00 C ATOM 437 CG LEU A2591 -2.361 1.113 -2.650 1.00 0.00 C ATOM 438 CD1 LEU A2591 -2.229 0.692 -4.075 1.00 0.00 C ATOM 439 CD2 LEU A2591 -3.579 1.991 -2.412 1.00 0.00 C ATOM 0 H LEU A2591 -2.324 -1.906 -0.108 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.402 -0.414 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -2.087 0.320 -0.676 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.482 -0.716 -1.955 1.00 0.00 H new ATOM 0 HG LEU A2591 -1.481 1.722 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -2.265 1.571 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -1.279 0.177 -4.216 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.047 0.020 -4.333 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -3.575 2.818 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -4.485 1.401 -2.548 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -3.551 2.384 -1.396 1.00 0.00 H new ATOM 451 N VAL A2592 -3.309 -2.540 -3.349 1.00 0.00 N ATOM 452 CA VAL A2592 -3.653 -3.151 -4.621 1.00 0.00 C ATOM 453 C VAL A2592 -5.034 -3.858 -4.574 1.00 0.00 C ATOM 454 O VAL A2592 -5.808 -3.793 -5.518 1.00 0.00 O ATOM 455 CB VAL A2592 -2.568 -4.142 -5.096 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.250 -3.421 -5.319 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.378 -5.274 -4.103 1.00 0.00 C ATOM 0 H VAL A2592 -2.456 -2.901 -2.923 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.713 -2.336 -5.342 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.904 -4.571 -6.040 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.497 -4.135 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.381 -2.650 -6.078 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.925 -2.961 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.607 -5.953 -4.468 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -2.074 -4.865 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.316 -5.818 -3.987 1.00 0.00 H new ATOM 467 N GLU A2593 -5.332 -4.482 -3.443 1.00 0.00 N ATOM 468 CA GLU A2593 -6.579 -5.188 -3.236 1.00 0.00 C ATOM 469 C GLU A2593 -7.709 -4.204 -3.071 1.00 0.00 C ATOM 470 O GLU A2593 -8.788 -4.386 -3.616 1.00 0.00 O ATOM 471 CB GLU A2593 -6.504 -6.041 -1.986 1.00 0.00 C ATOM 472 CG GLU A2593 -5.491 -7.160 -2.018 1.00 0.00 C ATOM 473 CD GLU A2593 -5.572 -8.001 -0.775 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.544 -8.764 -0.634 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.669 -7.903 0.098 1.00 0.00 O ATOM 0 H GLU A2593 -4.706 -4.510 -2.638 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.756 -5.822 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.276 -5.393 -1.139 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.488 -6.472 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.662 -7.784 -2.895 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.488 -6.744 -2.114 1.00 0.00 H new ATOM 482 N TRP A2594 -7.434 -3.152 -2.329 1.00 0.00 N ATOM 483 CA TRP A2594 -8.407 -2.119 -2.033 1.00 0.00 C ATOM 484 C TRP A2594 -8.829 -1.421 -3.335 1.00 0.00 C ATOM 485 O TRP A2594 -9.980 -1.058 -3.514 1.00 0.00 O ATOM 486 CB TRP A2594 -7.806 -1.120 -1.033 1.00 0.00 C ATOM 487 CG TRP A2594 -8.830 -0.340 -0.268 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.461 -0.747 0.869 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.338 0.966 -0.563 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.337 0.214 1.289 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.281 1.276 0.435 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.098 1.904 -1.569 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.981 2.479 0.455 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.794 3.092 -1.539 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.724 3.371 -0.537 1.00 0.00 C ATOM 0 H TRP A2594 -6.519 -2.987 -1.909 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.295 -2.561 -1.581 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.174 -1.661 -0.329 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.161 -0.425 -1.571 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.293 -1.691 1.366 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.938 0.148 2.111 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.383 1.703 -2.353 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.701 2.695 1.230 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.615 3.826 -2.311 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.250 4.314 -0.550 1.00 0.00 H new ATOM 506 N LEU A2595 -7.887 -1.301 -4.254 1.00 0.00 N ATOM 507 CA LEU A2595 -8.135 -0.711 -5.579 1.00 0.00 C ATOM 508 C LEU A2595 -9.041 -1.597 -6.410 1.00 0.00 C ATOM 509 O LEU A2595 -9.861 -1.116 -7.190 1.00 0.00 O ATOM 510 CB LEU A2595 -6.811 -0.441 -6.300 1.00 0.00 C ATOM 511 CG LEU A2595 -6.098 0.889 -5.977 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.240 1.285 -4.517 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.632 0.774 -6.328 1.00 0.00 C ATOM 0 H LEU A2595 -6.924 -1.607 -4.113 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.647 0.241 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.127 -1.257 -6.069 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.997 -0.474 -7.374 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.574 1.667 -6.574 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.720 2.227 -4.343 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.296 1.402 -4.273 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.806 0.510 -3.886 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.128 1.713 -6.100 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.181 -0.030 -5.747 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.528 0.556 -7.391 1.00 0.00 H new ATOM 525 N LYS A2596 -8.911 -2.897 -6.216 1.00 0.00 N ATOM 526 CA LYS A2596 -9.758 -3.880 -6.897 1.00 0.00 C ATOM 527 C LYS A2596 -11.187 -3.793 -6.370 1.00 0.00 C ATOM 528 O LYS A2596 -12.135 -4.244 -7.011 1.00 0.00 O ATOM 529 CB LYS A2596 -9.246 -5.298 -6.660 1.00 0.00 C ATOM 530 CG LYS A2596 -7.828 -5.553 -7.115 1.00 0.00 C ATOM 531 CD LYS A2596 -7.442 -6.990 -6.836 1.00 0.00 C ATOM 532 CE LYS A2596 -5.993 -7.277 -7.185 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.690 -7.059 -8.613 1.00 0.00 N ATOM 0 H LYS A2596 -8.221 -3.307 -5.587 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.732 -3.658 -7.964 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.314 -5.519 -5.595 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.907 -5.997 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.737 -5.344 -8.181 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.145 -4.878 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.610 -7.210 -5.782 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -8.089 -7.655 -7.408 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -5.347 -6.641 -6.581 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.759 -8.309 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.711 -7.351 -8.809 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.342 -7.621 -9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.803 -6.051 -8.842 1.00 0.00 H new ATOM 547 N LEU A2597 -11.326 -3.243 -5.193 1.00 0.00 N ATOM 548 CA LEU A2597 -12.615 -3.091 -4.563 1.00 0.00 C ATOM 549 C LEU A2597 -13.181 -1.696 -4.819 1.00 0.00 C ATOM 550 O LEU A2597 -14.398 -1.509 -4.891 1.00 0.00 O ATOM 551 CB LEU A2597 -12.490 -3.333 -3.055 1.00 0.00 C ATOM 552 CG LEU A2597 -11.924 -4.693 -2.629 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.802 -4.768 -1.118 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.788 -5.833 -3.152 1.00 0.00 C ATOM 0 H LEU A2597 -10.547 -2.886 -4.640 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.297 -3.825 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.856 -2.552 -2.635 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.477 -3.218 -2.607 1.00 0.00 H new ATOM 0 HG LEU A2597 -10.930 -4.796 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.399 -5.740 -0.833 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.134 -3.981 -0.767 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -12.785 -4.637 -0.667 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.364 -6.786 -2.835 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -13.798 -5.736 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.821 -5.795 -4.241 1.00 0.00 H new ATOM 566 N HIS A2598 -12.303 -0.720 -4.963 1.00 0.00 N ATOM 567 CA HIS A2598 -12.717 0.659 -5.161 1.00 0.00 C ATOM 568 C HIS A2598 -12.046 1.293 -6.378 1.00 0.00 C ATOM 569 O HIS A2598 -11.051 2.001 -6.245 1.00 0.00 O ATOM 570 CB HIS A2598 -12.416 1.527 -3.924 1.00 0.00 C ATOM 571 CG HIS A2598 -13.070 1.060 -2.647 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.274 1.537 -2.183 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.648 0.162 -1.728 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.537 0.935 -1.021 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.580 0.085 -0.698 1.00 0.00 N ATOM 0 H HIS A2598 -11.292 -0.857 -4.946 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.794 0.624 -5.328 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.337 1.557 -3.773 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.738 2.548 -4.128 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.731 -0.406 -1.785 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.417 1.119 -0.423 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.534 -0.505 0.133 1.00 0.00 H new ATOM 583 N PRO A2599 -12.564 1.054 -7.590 1.00 0.00 N ATOM 584 CA PRO A2599 -12.021 1.681 -8.802 1.00 0.00 C ATOM 585 C PRO A2599 -12.414 3.163 -8.850 1.00 0.00 C ATOM 586 O PRO A2599 -11.860 3.966 -9.600 1.00 0.00 O ATOM 587 CB PRO A2599 -12.693 0.902 -9.939 1.00 0.00 C ATOM 588 CG PRO A2599 -13.957 0.373 -9.349 1.00 0.00 C ATOM 589 CD PRO A2599 -13.684 0.135 -7.890 1.00 0.00 C ATOM 0 HA PRO A2599 -10.933 1.649 -8.856 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.896 1.547 -10.794 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.055 0.093 -10.295 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.773 1.084 -9.479 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.258 -0.551 -9.843 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.558 0.355 -7.278 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.413 -0.903 -7.697 1.00 0.00 H new ATOM 597 N THR A2600 -13.357 3.501 -8.009 1.00 0.00 N ATOM 598 CA THR A2600 -13.893 4.825 -7.868 1.00 0.00 C ATOM 599 C THR A2600 -13.200 5.579 -6.726 1.00 0.00 C ATOM 600 O THR A2600 -13.785 6.493 -6.107 1.00 0.00 O ATOM 601 CB THR A2600 -15.386 4.696 -7.556 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.562 3.674 -6.542 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.172 4.319 -8.803 1.00 0.00 C ATOM 0 H THR A2600 -13.790 2.828 -7.376 1.00 0.00 H new ATOM 0 HA THR A2600 -13.730 5.384 -8.790 1.00 0.00 H new ATOM 0 HB THR A2600 -15.759 5.655 -7.198 1.00 0.00 H new ATOM 0 HG1 THR A2600 -15.124 3.958 -5.712 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.230 4.234 -8.554 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.039 5.088 -9.563 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.811 3.364 -9.186 1.00 0.00 H new ATOM 611 N TYR A2601 -11.969 5.215 -6.445 1.00 0.00 N ATOM 612 CA TYR A2601 -11.273 5.825 -5.352 1.00 0.00 C ATOM 613 C TYR A2601 -10.376 6.966 -5.849 1.00 0.00 C ATOM 614 O TYR A2601 -10.255 7.213 -7.059 1.00 0.00 O ATOM 615 CB TYR A2601 -10.435 4.782 -4.579 1.00 0.00 C ATOM 616 CG TYR A2601 -9.008 4.602 -5.081 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.727 4.140 -6.360 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.945 4.949 -4.266 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.429 4.030 -6.804 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.651 4.854 -4.700 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.387 4.393 -5.967 1.00 0.00 C ATOM 622 OH TYR A2601 -5.076 4.310 -6.407 1.00 0.00 O ATOM 0 H TYR A2601 -11.440 4.508 -6.955 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.017 6.239 -4.671 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.401 5.072 -3.529 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.945 3.820 -4.628 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.539 3.863 -7.016 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.141 5.303 -3.265 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.224 3.663 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.839 5.141 -4.048 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.472 4.604 -5.693 1.00 0.00 H new ATOM 632 N THR A2602 -9.793 7.657 -4.917 1.00 0.00 N ATOM 633 CA THR A2602 -8.818 8.672 -5.151 1.00 0.00 C ATOM 634 C THR A2602 -7.927 8.739 -3.908 1.00 0.00 C ATOM 635 O THR A2602 -8.415 8.529 -2.791 1.00 0.00 O ATOM 636 CB THR A2602 -9.504 10.044 -5.402 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.292 9.982 -6.604 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.488 11.169 -5.521 1.00 0.00 C ATOM 0 H THR A2602 -9.996 7.520 -3.927 1.00 0.00 H new ATOM 0 HA THR A2602 -8.228 8.438 -6.037 1.00 0.00 H new ATOM 0 HB THR A2602 -10.144 10.256 -4.545 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.251 9.076 -6.976 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.007 12.111 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A2602 -7.912 11.238 -4.598 1.00 0.00 H new ATOM 0 HG23 THR A2602 -7.815 10.965 -6.354 1.00 0.00 H new ATOM 646 N VAL A2603 -6.639 8.926 -4.088 1.00 0.00 N ATOM 647 CA VAL A2603 -5.760 9.114 -2.952 1.00 0.00 C ATOM 648 C VAL A2603 -6.035 10.502 -2.395 1.00 0.00 C ATOM 649 O VAL A2603 -5.970 11.492 -3.134 1.00 0.00 O ATOM 650 CB VAL A2603 -4.253 8.993 -3.328 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.369 9.127 -2.088 1.00 0.00 C ATOM 652 CG2 VAL A2603 -3.965 7.679 -4.043 1.00 0.00 C ATOM 0 H VAL A2603 -6.179 8.952 -4.998 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.959 8.331 -2.220 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.019 9.810 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.322 9.039 -2.377 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.537 10.099 -1.625 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.617 8.338 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -2.905 7.625 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.228 6.845 -3.392 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.556 7.625 -4.957 1.00 0.00 H new ATOM 662 N ASP A2604 -6.380 10.580 -1.128 1.00 0.00 N ATOM 663 CA ASP A2604 -6.708 11.860 -0.524 1.00 0.00 C ATOM 664 C ASP A2604 -5.474 12.714 -0.425 1.00 0.00 C ATOM 665 O ASP A2604 -5.443 13.855 -0.923 1.00 0.00 O ATOM 666 CB ASP A2604 -7.347 11.691 0.860 1.00 0.00 C ATOM 667 CG ASP A2604 -7.634 13.028 1.531 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.697 13.645 1.255 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.810 13.486 2.335 1.00 0.00 O ATOM 0 H ASP A2604 -6.441 9.781 -0.497 1.00 0.00 H new ATOM 0 HA ASP A2604 -7.439 12.352 -1.166 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -8.276 11.129 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.684 11.103 1.495 1.00 0.00 H new