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 Set 1.1: A2573 ASN : amide:sc= 1.04 K(o=2.3,f=0.56) USER MOD Set 1.2: A2598 HIS : no HD1:sc= -0.0351 K(o=2.3,f=1.1) USER MOD Set 1.3: A2600 THR OG1 : rot 68:sc= 1.31 USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot -21:sc= 1.04 USER MOD Single : A2587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2588 ASN : amide:sc= -1.1 K(o=-1.1,f=-1.8!) USER MOD Single : A2589 LYS NZ :NH3+ 152:sc= 1.1 (180deg=0.977) USER MOD Single : A2596 LYS NZ :NH3+ 133:sc= 0.126 (180deg=-0.198) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot 10:sc= 0.555 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.915 -1.594 1.926 1.00 0.00 N ATOM 33 CA PRO A2565 4.673 -2.364 1.819 1.00 0.00 C ATOM 34 C PRO A2565 3.799 -2.233 3.068 1.00 0.00 C ATOM 35 O PRO A2565 2.576 -2.383 3.010 1.00 0.00 O ATOM 36 CB PRO A2565 5.132 -3.812 1.620 1.00 0.00 C ATOM 37 CG PRO A2565 6.557 -3.854 2.049 1.00 0.00 C ATOM 38 CD PRO A2565 7.110 -2.459 1.912 1.00 0.00 C ATOM 0 HA PRO A2565 4.051 -2.004 0.999 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.526 -4.498 2.212 1.00 0.00 H new ATOM 0 HB3 PRO A2565 5.029 -4.114 0.578 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.638 -4.199 3.080 1.00 0.00 H new ATOM 0 HG3 PRO A2565 7.123 -4.553 1.433 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.787 -2.217 2.731 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.675 -2.343 0.987 1.00 0.00 H new ATOM 46 N ASP A2566 4.427 -1.902 4.169 1.00 0.00 N ATOM 47 CA ASP A2566 3.748 -1.753 5.440 1.00 0.00 C ATOM 48 C ASP A2566 3.261 -0.323 5.651 1.00 0.00 C ATOM 49 O ASP A2566 2.475 -0.063 6.559 1.00 0.00 O ATOM 50 CB ASP A2566 4.669 -2.170 6.588 1.00 0.00 C ATOM 51 CG ASP A2566 5.904 -1.311 6.687 1.00 0.00 C ATOM 52 OD1 ASP A2566 6.842 -1.525 5.889 1.00 0.00 O ATOM 53 OD2 ASP A2566 5.958 -0.412 7.553 1.00 0.00 O ATOM 0 H ASP A2566 5.431 -1.726 4.213 1.00 0.00 H new ATOM 0 HA ASP A2566 2.875 -2.406 5.427 1.00 0.00 H new ATOM 0 HB2 ASP A2566 4.118 -2.117 7.527 1.00 0.00 H new ATOM 0 HB3 ASP A2566 4.965 -3.210 6.451 1.00 0.00 H new ATOM 58 N THR A2567 3.704 0.590 4.811 1.00 0.00 N ATOM 59 CA THR A2567 3.294 1.978 4.908 1.00 0.00 C ATOM 60 C THR A2567 1.823 2.097 4.510 1.00 0.00 C ATOM 61 O THR A2567 1.335 1.319 3.680 1.00 0.00 O ATOM 62 CB THR A2567 4.166 2.854 3.982 1.00 0.00 C ATOM 63 OG1 THR A2567 5.541 2.589 4.255 1.00 0.00 O ATOM 64 CG2 THR A2567 3.907 4.337 4.197 1.00 0.00 C ATOM 0 H THR A2567 4.352 0.395 4.048 1.00 0.00 H new ATOM 0 HA THR A2567 3.421 2.323 5.934 1.00 0.00 H new ATOM 0 HB THR A2567 3.913 2.608 2.951 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.103 3.140 3.670 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.540 4.918 3.526 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.860 4.557 3.989 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.135 4.600 5.230 1.00 0.00 H new ATOM 72 N ARG A2568 1.118 3.014 5.123 1.00 0.00 N ATOM 73 CA ARG A2568 -0.273 3.203 4.827 1.00 0.00 C ATOM 74 C ARG A2568 -0.424 4.158 3.665 1.00 0.00 C ATOM 75 O ARG A2568 0.427 5.015 3.444 1.00 0.00 O ATOM 76 CB ARG A2568 -1.016 3.755 6.029 1.00 0.00 C ATOM 77 CG ARG A2568 -0.948 2.907 7.286 1.00 0.00 C ATOM 78 CD ARG A2568 -1.451 1.501 7.047 1.00 0.00 C ATOM 79 NE ARG A2568 -1.637 0.776 8.317 1.00 0.00 N ATOM 80 CZ ARG A2568 -0.730 0.000 8.936 1.00 0.00 C ATOM 81 NH1 ARG A2568 0.483 -0.178 8.424 1.00 0.00 N ATOM 82 NH2 ARG A2568 -1.048 -0.594 10.077 1.00 0.00 N ATOM 0 H ARG A2568 1.491 3.643 5.834 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.699 2.234 4.569 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.618 4.744 6.257 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -2.063 3.887 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.081 2.868 7.642 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.540 3.375 8.072 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.396 1.538 6.505 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.743 0.961 6.418 1.00 0.00 H new ATOM 0 HE ARG A2568 -2.545 0.873 8.772 1.00 0.00 H new ATOM 0 HH11 ARG A2568 0.739 0.277 7.548 1.00 0.00 H new ATOM 0 HH12 ARG A2568 1.159 -0.770 8.907 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.976 -0.461 10.480 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -0.365 -1.184 10.552 1.00 0.00 H new ATOM 96 N ILE A2569 -1.474 3.998 2.924 1.00 0.00 N ATOM 97 CA ILE A2569 -1.750 4.849 1.796 1.00 0.00 C ATOM 98 C ILE A2569 -3.069 5.581 2.061 1.00 0.00 C ATOM 99 O ILE A2569 -4.139 4.981 1.966 1.00 0.00 O ATOM 100 CB ILE A2569 -1.884 4.012 0.499 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.699 3.031 0.352 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.968 4.935 -0.723 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.652 3.690 0.131 1.00 0.00 C ATOM 0 H ILE A2569 -2.172 3.271 3.080 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.931 5.557 1.667 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.803 3.429 0.562 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.644 2.414 1.249 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.902 2.362 -0.484 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.062 4.334 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.837 5.586 -0.628 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.065 5.542 -0.783 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.421 2.923 0.040 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.622 4.284 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.884 4.337 0.977 1.00 0.00 H new ATOM 115 N PRO A2570 -3.007 6.861 2.476 1.00 0.00 N ATOM 116 CA PRO A2570 -4.208 7.646 2.787 1.00 0.00 C ATOM 117 C PRO A2570 -5.081 7.917 1.554 1.00 0.00 C ATOM 118 O PRO A2570 -4.764 8.766 0.709 1.00 0.00 O ATOM 119 CB PRO A2570 -3.665 8.947 3.387 1.00 0.00 C ATOM 120 CG PRO A2570 -2.233 9.026 2.969 1.00 0.00 C ATOM 121 CD PRO A2570 -1.767 7.625 2.681 1.00 0.00 C ATOM 0 HA PRO A2570 -4.868 7.109 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.226 9.808 3.024 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.755 8.943 4.473 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.126 9.655 2.085 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.628 9.477 3.756 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.130 7.592 1.797 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.184 7.222 3.509 1.00 0.00 H new ATOM 129 N VAL A2571 -6.175 7.201 1.460 1.00 0.00 N ATOM 130 CA VAL A2571 -7.055 7.267 0.317 1.00 0.00 C ATOM 131 C VAL A2571 -8.500 7.475 0.748 1.00 0.00 C ATOM 132 O VAL A2571 -8.838 7.355 1.935 1.00 0.00 O ATOM 133 CB VAL A2571 -6.975 5.976 -0.555 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.598 5.794 -1.160 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.345 4.751 0.259 1.00 0.00 C ATOM 0 H VAL A2571 -6.483 6.549 2.182 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.722 8.117 -0.278 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.691 6.093 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.582 4.884 -1.760 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.362 6.650 -1.792 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.858 5.716 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.282 3.863 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.657 4.650 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.363 4.858 0.635 1.00 0.00 H new ATOM 145 N ILE A2572 -9.334 7.785 -0.204 1.00 0.00 N ATOM 146 CA ILE A2572 -10.736 7.961 0.035 1.00 0.00 C ATOM 147 C ILE A2572 -11.531 7.447 -1.170 1.00 0.00 C ATOM 148 O ILE A2572 -11.086 7.561 -2.316 1.00 0.00 O ATOM 149 CB ILE A2572 -11.091 9.463 0.323 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.598 9.621 0.643 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.664 10.373 -0.834 1.00 0.00 C ATOM 152 CD1 ILE A2572 -13.040 11.045 0.911 1.00 0.00 C ATOM 0 H ILE A2572 -9.056 7.924 -1.176 1.00 0.00 H new ATOM 0 HA ILE A2572 -11.005 7.387 0.922 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.528 9.777 1.202 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -13.177 9.226 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.837 9.010 1.514 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.925 11.405 -0.601 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.587 10.295 -0.979 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -11.176 10.067 -1.746 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -14.109 11.060 1.126 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.493 11.441 1.766 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.837 11.660 0.034 1.00 0.00 H new ATOM 164 N ASN A2573 -12.653 6.830 -0.906 1.00 0.00 N ATOM 165 CA ASN A2573 -13.556 6.394 -1.952 1.00 0.00 C ATOM 166 C ASN A2573 -14.532 7.498 -2.191 1.00 0.00 C ATOM 167 O ASN A2573 -15.353 7.787 -1.324 1.00 0.00 O ATOM 168 CB ASN A2573 -14.319 5.144 -1.557 1.00 0.00 C ATOM 169 CG ASN A2573 -15.225 4.645 -2.676 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.954 4.848 -3.855 1.00 0.00 O ATOM 171 ND2 ASN A2573 -16.294 3.985 -2.327 1.00 0.00 N ATOM 0 H ASN A2573 -12.971 6.613 0.038 1.00 0.00 H new ATOM 0 HA ASN A2573 -12.977 6.159 -2.845 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.612 4.359 -1.287 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.919 5.351 -0.671 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.927 3.624 -3.041 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.498 3.829 -1.340 1.00 0.00 H new ATOM 178 N LEU A2574 -14.460 8.093 -3.349 1.00 0.00 N ATOM 179 CA LEU A2574 -15.263 9.266 -3.684 1.00 0.00 C ATOM 180 C LEU A2574 -16.752 8.975 -3.694 1.00 0.00 C ATOM 181 O LEU A2574 -17.534 9.789 -3.221 1.00 0.00 O ATOM 182 CB LEU A2574 -14.839 9.876 -5.019 1.00 0.00 C ATOM 183 CG LEU A2574 -13.436 10.487 -5.092 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.181 11.007 -6.492 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.285 11.618 -4.079 1.00 0.00 C ATOM 0 H LEU A2574 -13.843 7.786 -4.101 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.076 9.991 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -14.911 9.102 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.560 10.651 -5.281 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.705 9.714 -4.853 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.183 11.441 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.256 10.186 -7.204 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -13.921 11.769 -6.738 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.281 12.037 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.019 12.396 -4.290 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.447 11.230 -3.073 1.00 0.00 H new ATOM 197 N GLU A2575 -17.123 7.801 -4.195 1.00 0.00 N ATOM 198 CA GLU A2575 -18.527 7.402 -4.299 1.00 0.00 C ATOM 199 C GLU A2575 -19.244 7.403 -2.956 1.00 0.00 C ATOM 200 O GLU A2575 -20.381 7.861 -2.854 1.00 0.00 O ATOM 201 CB GLU A2575 -18.659 6.038 -4.970 1.00 0.00 C ATOM 202 CG GLU A2575 -18.282 6.040 -6.433 1.00 0.00 C ATOM 203 CD GLU A2575 -19.151 6.959 -7.259 1.00 0.00 C ATOM 204 OE1 GLU A2575 -20.275 6.580 -7.610 1.00 0.00 O ATOM 205 OE2 GLU A2575 -18.716 8.083 -7.581 1.00 0.00 O ATOM 0 H GLU A2575 -16.465 7.101 -4.539 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.014 8.153 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.029 5.322 -4.443 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.688 5.692 -4.870 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.240 6.344 -6.535 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.358 5.026 -6.825 1.00 0.00 H new ATOM 212 N ASP A2576 -18.595 6.907 -1.935 1.00 0.00 N ATOM 213 CA ASP A2576 -19.233 6.866 -0.622 1.00 0.00 C ATOM 214 C ASP A2576 -18.801 8.022 0.234 1.00 0.00 C ATOM 215 O ASP A2576 -19.619 8.690 0.847 1.00 0.00 O ATOM 216 CB ASP A2576 -18.942 5.559 0.114 1.00 0.00 C ATOM 217 CG ASP A2576 -19.504 5.551 1.535 1.00 0.00 C ATOM 218 OD1 ASP A2576 -20.694 5.231 1.716 1.00 0.00 O ATOM 219 OD2 ASP A2576 -18.756 5.875 2.493 1.00 0.00 O ATOM 0 H ASP A2576 -17.647 6.531 -1.972 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.306 6.934 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -19.368 4.727 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -17.864 5.399 0.152 1.00 0.00 H new ATOM 224 N GLY A2577 -17.532 8.288 0.224 1.00 0.00 N ATOM 225 CA GLY A2577 -16.979 9.258 1.119 1.00 0.00 C ATOM 226 C GLY A2577 -16.186 8.564 2.200 1.00 0.00 C ATOM 227 O GLY A2577 -15.891 9.146 3.237 1.00 0.00 O ATOM 0 H GLY A2577 -16.856 7.845 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.337 9.948 0.571 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -17.777 9.851 1.565 1.00 0.00 H new ATOM 231 N THR A2578 -15.882 7.286 1.966 1.00 0.00 N ATOM 232 CA THR A2578 -15.113 6.494 2.838 1.00 0.00 C ATOM 233 C THR A2578 -13.671 6.988 2.834 1.00 0.00 C ATOM 234 O THR A2578 -12.958 6.795 1.849 1.00 0.00 O ATOM 235 CB THR A2578 -15.111 5.089 2.298 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.451 4.659 2.008 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.479 4.190 3.280 1.00 0.00 C ATOM 0 H THR A2578 -16.189 6.788 1.130 1.00 0.00 H new ATOM 0 HA THR A2578 -15.525 6.542 3.846 1.00 0.00 H new ATOM 0 HB THR A2578 -14.541 5.062 1.369 1.00 0.00 H new ATOM 0 HG1 THR A2578 -17.087 5.204 2.517 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.476 3.171 2.892 1.00 0.00 H new ATOM 0 HG22 THR A2578 -13.454 4.512 3.461 1.00 0.00 H new ATOM 0 HG23 THR A2578 -15.039 4.220 4.214 1.00 0.00 H new ATOM 245 N ARG A2579 -13.259 7.600 3.889 1.00 0.00 N ATOM 246 CA ARG A2579 -11.946 8.180 3.949 1.00 0.00 C ATOM 247 C ARG A2579 -11.112 7.467 4.959 1.00 0.00 C ATOM 248 O ARG A2579 -11.501 7.315 6.120 1.00 0.00 O ATOM 249 CB ARG A2579 -12.036 9.657 4.258 1.00 0.00 C ATOM 250 CG ARG A2579 -10.725 10.396 4.165 1.00 0.00 C ATOM 251 CD ARG A2579 -10.905 11.844 4.537 1.00 0.00 C ATOM 252 NE ARG A2579 -9.664 12.588 4.401 1.00 0.00 N ATOM 253 CZ ARG A2579 -9.029 13.240 5.371 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.528 13.279 6.605 1.00 0.00 N ATOM 255 NH2 ARG A2579 -7.867 13.818 5.108 1.00 0.00 N ATOM 0 H ARG A2579 -13.814 7.717 4.737 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.466 8.070 2.976 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.747 10.116 3.571 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.438 9.781 5.263 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.993 9.933 4.827 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.331 10.322 3.152 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -11.670 12.291 3.902 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -11.262 11.915 5.564 1.00 0.00 H new ATOM 0 HE ARG A2579 -9.240 12.613 3.474 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -10.407 12.805 6.815 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -9.032 13.782 7.340 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -7.469 13.760 4.171 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -7.370 14.321 5.843 1.00 0.00 H new ATOM 269 N LEU A2580 -9.966 7.042 4.517 1.00 0.00 N ATOM 270 CA LEU A2580 -9.085 6.263 5.309 1.00 0.00 C ATOM 271 C LEU A2580 -7.699 6.868 5.253 1.00 0.00 C ATOM 272 O LEU A2580 -6.977 6.718 4.260 1.00 0.00 O ATOM 273 CB LEU A2580 -9.077 4.857 4.745 1.00 0.00 C ATOM 274 CG LEU A2580 -10.458 4.226 4.583 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.377 2.976 3.783 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.112 3.970 5.932 1.00 0.00 C ATOM 0 H LEU A2580 -9.618 7.235 3.578 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.407 6.240 6.350 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.584 4.873 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.477 4.222 5.397 1.00 0.00 H new ATOM 0 HG LEU A2580 -11.086 4.934 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.373 2.544 3.681 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.976 3.202 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.723 2.264 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -12.093 3.521 5.781 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.489 3.293 6.516 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.223 4.913 6.467 1.00 0.00 H new ATOM 288 N VAL A2581 -7.356 7.595 6.276 1.00 0.00 N ATOM 289 CA VAL A2581 -6.075 8.241 6.370 1.00 0.00 C ATOM 290 C VAL A2581 -5.362 7.786 7.623 1.00 0.00 C ATOM 291 O VAL A2581 -6.007 7.357 8.593 1.00 0.00 O ATOM 292 CB VAL A2581 -6.182 9.805 6.350 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.760 10.292 5.028 1.00 0.00 C ATOM 294 CG2 VAL A2581 -7.021 10.327 7.518 1.00 0.00 C ATOM 0 H VAL A2581 -7.963 7.759 7.079 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.503 7.951 5.489 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.172 10.200 6.458 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.825 11.380 5.038 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -6.114 9.974 4.209 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.756 9.871 4.889 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -7.073 11.415 7.471 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -8.027 9.913 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.561 10.026 8.459 1.00 0.00 H new ATOM 304 N GLY A2582 -4.048 7.831 7.586 1.00 0.00 N ATOM 305 CA GLY A2582 -3.247 7.463 8.724 1.00 0.00 C ATOM 306 C GLY A2582 -3.321 5.987 9.023 1.00 0.00 C ATOM 307 O GLY A2582 -3.174 5.165 8.122 1.00 0.00 O ATOM 0 H GLY A2582 -3.511 8.123 6.769 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.210 7.743 8.541 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.579 8.025 9.597 1.00 0.00 H new ATOM 311 N GLU A2583 -3.631 5.666 10.262 1.00 0.00 N ATOM 312 CA GLU A2583 -3.691 4.284 10.744 1.00 0.00 C ATOM 313 C GLU A2583 -4.779 3.494 10.022 1.00 0.00 C ATOM 314 O GLU A2583 -4.631 2.298 9.764 1.00 0.00 O ATOM 315 CB GLU A2583 -3.992 4.269 12.244 1.00 0.00 C ATOM 316 CG GLU A2583 -3.017 5.057 13.101 1.00 0.00 C ATOM 317 CD GLU A2583 -1.612 4.516 13.048 1.00 0.00 C ATOM 318 OE1 GLU A2583 -1.290 3.584 13.811 1.00 0.00 O ATOM 319 OE2 GLU A2583 -0.784 5.043 12.294 1.00 0.00 O ATOM 0 H GLU A2583 -3.852 6.358 10.978 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.724 3.821 10.546 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.995 4.666 12.402 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -4.001 3.235 12.587 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -3.012 6.096 12.773 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -3.364 5.051 14.134 1.00 0.00 H new ATOM 326 N ASP A2584 -5.852 4.179 9.672 1.00 0.00 N ATOM 327 CA ASP A2584 -7.014 3.546 9.043 1.00 0.00 C ATOM 328 C ASP A2584 -6.851 3.400 7.552 1.00 0.00 C ATOM 329 O ASP A2584 -7.698 2.801 6.885 1.00 0.00 O ATOM 330 CB ASP A2584 -8.307 4.306 9.350 1.00 0.00 C ATOM 331 CG ASP A2584 -8.697 4.233 10.801 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.263 5.093 11.583 1.00 0.00 O ATOM 333 OD2 ASP A2584 -9.455 3.303 11.189 1.00 0.00 O ATOM 0 H ASP A2584 -5.950 5.185 9.811 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.082 2.547 9.475 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.186 5.351 9.064 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.115 3.900 8.741 1.00 0.00 H new ATOM 338 N ALA A2585 -5.781 3.924 7.028 1.00 0.00 N ATOM 339 CA ALA A2585 -5.513 3.836 5.621 1.00 0.00 C ATOM 340 C ALA A2585 -5.015 2.433 5.295 1.00 0.00 C ATOM 341 O ALA A2585 -4.402 1.774 6.153 1.00 0.00 O ATOM 342 CB ALA A2585 -4.487 4.878 5.240 1.00 0.00 C ATOM 0 H ALA A2585 -5.070 4.424 7.563 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.422 4.024 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.282 4.813 4.171 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.871 5.870 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.567 4.703 5.797 1.00 0.00 H new ATOM 348 N PRO A2586 -5.328 1.915 4.097 1.00 0.00 N ATOM 349 CA PRO A2586 -4.864 0.598 3.671 1.00 0.00 C ATOM 350 C PRO A2586 -3.347 0.567 3.529 1.00 0.00 C ATOM 351 O PRO A2586 -2.718 1.591 3.240 1.00 0.00 O ATOM 352 CB PRO A2586 -5.536 0.391 2.304 1.00 0.00 C ATOM 353 CG PRO A2586 -5.868 1.760 1.831 1.00 0.00 C ATOM 354 CD PRO A2586 -6.162 2.561 3.067 1.00 0.00 C ATOM 0 HA PRO A2586 -5.115 -0.181 4.391 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.868 -0.116 1.608 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.431 -0.224 2.393 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.038 2.193 1.273 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.728 1.744 1.162 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.900 3.611 2.938 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.220 2.526 3.326 1.00 0.00 H new ATOM 362 N LYS A2587 -2.769 -0.579 3.760 1.00 0.00 N ATOM 363 CA LYS A2587 -1.334 -0.743 3.655 1.00 0.00 C ATOM 364 C LYS A2587 -0.953 -0.814 2.199 1.00 0.00 C ATOM 365 O LYS A2587 -1.748 -1.231 1.381 1.00 0.00 O ATOM 366 CB LYS A2587 -0.913 -2.027 4.350 1.00 0.00 C ATOM 367 CG LYS A2587 -1.298 -2.079 5.807 1.00 0.00 C ATOM 368 CD LYS A2587 -1.112 -3.461 6.368 1.00 0.00 C ATOM 369 CE LYS A2587 -1.710 -3.558 7.752 1.00 0.00 C ATOM 370 NZ LYS A2587 -1.700 -4.936 8.260 1.00 0.00 N ATOM 0 H LYS A2587 -3.271 -1.426 4.026 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.834 0.102 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.363 -2.874 3.833 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.168 -2.139 4.264 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.693 -1.370 6.372 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.338 -1.773 5.922 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -1.582 -4.192 5.711 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.050 -3.704 6.407 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -1.152 -2.916 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -2.735 -3.187 7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -2.119 -4.958 9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -2.254 -5.545 7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -0.720 -5.282 8.305 1.00 0.00 H new ATOM 384 N ASN A2588 0.254 -0.428 1.889 1.00 0.00 N ATOM 385 CA ASN A2588 0.770 -0.432 0.516 1.00 0.00 C ATOM 386 C ASN A2588 0.722 -1.839 -0.105 1.00 0.00 C ATOM 387 O ASN A2588 0.535 -1.992 -1.308 1.00 0.00 O ATOM 388 CB ASN A2588 2.188 0.155 0.493 1.00 0.00 C ATOM 389 CG ASN A2588 2.795 0.281 -0.897 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.581 1.273 -1.590 1.00 0.00 O ATOM 391 ND2 ASN A2588 3.612 -0.665 -1.285 1.00 0.00 N ATOM 0 H ASN A2588 0.928 -0.095 2.579 1.00 0.00 H new ATOM 0 HA ASN A2588 0.127 0.197 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.167 1.141 0.958 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.837 -0.472 1.104 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.090 -0.590 -2.183 1.00 0.00 H new ATOM 0 HD22 ASN A2588 3.771 -1.478 -0.689 1.00 0.00 H new ATOM 398 N LYS A2589 0.863 -2.857 0.732 1.00 0.00 N ATOM 399 CA LYS A2589 0.747 -4.250 0.288 1.00 0.00 C ATOM 400 C LYS A2589 -0.708 -4.621 -0.056 1.00 0.00 C ATOM 401 O LYS A2589 -0.969 -5.356 -1.002 1.00 0.00 O ATOM 402 CB LYS A2589 1.317 -5.224 1.345 1.00 0.00 C ATOM 403 CG LYS A2589 0.808 -5.000 2.779 1.00 0.00 C ATOM 404 CD LYS A2589 1.343 -6.056 3.748 1.00 0.00 C ATOM 405 CE LYS A2589 0.606 -7.386 3.606 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.762 -7.323 4.177 1.00 0.00 N ATOM 0 H LYS A2589 1.059 -2.750 1.727 1.00 0.00 H new ATOM 0 HA LYS A2589 1.340 -4.344 -0.622 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.075 -6.244 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.404 -5.141 1.345 1.00 0.00 H new ATOM 0 HG2 LYS A2589 1.109 -4.009 3.120 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.282 -5.022 2.785 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.407 -6.209 3.566 1.00 0.00 H new ATOM 0 HD3 LYS A2589 1.243 -5.693 4.771 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.548 -7.658 2.552 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.173 -8.171 4.107 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -1.376 -8.001 3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -0.727 -7.562 5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -1.143 -6.362 4.061 1.00 0.00 H new ATOM 420 N ASP A2590 -1.635 -4.083 0.696 1.00 0.00 N ATOM 421 CA ASP A2590 -3.067 -4.380 0.528 1.00 0.00 C ATOM 422 C ASP A2590 -3.729 -3.404 -0.417 1.00 0.00 C ATOM 423 O ASP A2590 -4.892 -3.576 -0.784 1.00 0.00 O ATOM 424 CB ASP A2590 -3.794 -4.338 1.873 1.00 0.00 C ATOM 425 CG ASP A2590 -3.382 -5.438 2.806 1.00 0.00 C ATOM 426 OD1 ASP A2590 -2.329 -5.333 3.458 1.00 0.00 O ATOM 427 OD2 ASP A2590 -4.095 -6.458 2.900 1.00 0.00 O ATOM 0 H ASP A2590 -1.435 -3.423 1.448 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.135 -5.383 0.106 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.605 -3.377 2.350 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.868 -4.402 1.699 1.00 0.00 H new ATOM 432 N LEU A2591 -2.976 -2.403 -0.819 1.00 0.00 N ATOM 433 CA LEU A2591 -3.444 -1.329 -1.680 1.00 0.00 C ATOM 434 C LEU A2591 -4.061 -1.881 -2.957 1.00 0.00 C ATOM 435 O LEU A2591 -5.176 -1.546 -3.300 1.00 0.00 O ATOM 436 CB LEU A2591 -2.279 -0.396 -2.023 1.00 0.00 C ATOM 437 CG LEU A2591 -2.619 0.861 -2.821 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.503 1.795 -2.011 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.354 1.560 -3.283 1.00 0.00 C ATOM 0 H LEU A2591 -1.996 -2.308 -0.552 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.212 -0.770 -1.146 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.803 -0.089 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.540 -0.967 -2.586 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.179 0.563 -3.707 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.731 2.683 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.430 1.284 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -2.983 2.089 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.618 2.453 -3.850 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.758 1.844 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.776 0.886 -3.916 1.00 0.00 H new ATOM 451 N VAL A2592 -3.346 -2.773 -3.606 1.00 0.00 N ATOM 452 CA VAL A2592 -3.789 -3.378 -4.865 1.00 0.00 C ATOM 453 C VAL A2592 -5.141 -4.099 -4.733 1.00 0.00 C ATOM 454 O VAL A2592 -5.945 -4.110 -5.667 1.00 0.00 O ATOM 455 CB VAL A2592 -2.730 -4.345 -5.423 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.480 -3.575 -5.828 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.379 -5.412 -4.390 1.00 0.00 C ATOM 0 H VAL A2592 -2.438 -3.107 -3.284 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.923 -2.554 -5.566 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.142 -4.839 -6.303 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.737 -4.269 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.736 -2.844 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.072 -3.061 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.629 -6.086 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.983 -4.934 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.274 -5.979 -4.134 1.00 0.00 H new ATOM 467 N GLU A2593 -5.378 -4.682 -3.577 1.00 0.00 N ATOM 468 CA GLU A2593 -6.611 -5.361 -3.281 1.00 0.00 C ATOM 469 C GLU A2593 -7.714 -4.344 -3.081 1.00 0.00 C ATOM 470 O GLU A2593 -8.777 -4.443 -3.681 1.00 0.00 O ATOM 471 CB GLU A2593 -6.453 -6.198 -2.024 1.00 0.00 C ATOM 472 CG GLU A2593 -5.451 -7.326 -2.141 1.00 0.00 C ATOM 473 CD GLU A2593 -5.286 -8.088 -0.847 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.315 -8.467 -0.212 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.134 -8.361 -0.458 1.00 0.00 O ATOM 0 H GLU A2593 -4.707 -4.695 -2.809 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.868 -6.016 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.152 -5.546 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.423 -6.617 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.771 -8.012 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -4.486 -6.921 -2.446 1.00 0.00 H new ATOM 482 N TRP A2594 -7.418 -3.333 -2.271 1.00 0.00 N ATOM 483 CA TRP A2594 -8.372 -2.281 -1.934 1.00 0.00 C ATOM 484 C TRP A2594 -8.797 -1.537 -3.207 1.00 0.00 C ATOM 485 O TRP A2594 -9.948 -1.164 -3.365 1.00 0.00 O ATOM 486 CB TRP A2594 -7.738 -1.308 -0.924 1.00 0.00 C ATOM 487 CG TRP A2594 -8.736 -0.475 -0.175 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.352 -0.817 0.992 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.236 0.829 -0.521 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.205 0.175 1.388 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.155 1.195 0.482 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.009 1.723 -1.575 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.839 2.405 0.463 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.692 2.913 -1.577 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.596 3.247 -0.571 1.00 0.00 C ATOM 0 H TRP A2594 -6.506 -3.219 -1.828 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.257 -2.726 -1.480 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.145 -1.878 -0.209 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.051 -0.647 -1.453 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.189 -1.741 1.528 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.786 0.156 2.226 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.314 1.482 -2.366 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.539 2.665 1.244 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.524 3.612 -2.383 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.113 4.194 -0.616 1.00 0.00 H new ATOM 506 N LEU A2595 -7.857 -1.384 -4.122 1.00 0.00 N ATOM 507 CA LEU A2595 -8.087 -0.721 -5.417 1.00 0.00 C ATOM 508 C LEU A2595 -9.039 -1.512 -6.284 1.00 0.00 C ATOM 509 O LEU A2595 -9.811 -0.953 -7.050 1.00 0.00 O ATOM 510 CB LEU A2595 -6.762 -0.520 -6.142 1.00 0.00 C ATOM 511 CG LEU A2595 -5.984 0.767 -5.839 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.099 1.185 -4.375 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.529 0.571 -6.212 1.00 0.00 C ATOM 0 H LEU A2595 -6.900 -1.715 -3.997 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.543 0.249 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.117 -1.367 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.955 -0.553 -7.214 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.421 1.569 -6.434 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.531 2.101 -4.212 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.146 1.359 -4.127 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.702 0.394 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -3.972 1.484 -5.998 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.112 -0.252 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.454 0.341 -7.275 1.00 0.00 H new ATOM 525 N LYS A2596 -8.975 -2.817 -6.168 1.00 0.00 N ATOM 526 CA LYS A2596 -9.881 -3.679 -6.904 1.00 0.00 C ATOM 527 C LYS A2596 -11.277 -3.592 -6.324 1.00 0.00 C ATOM 528 O LYS A2596 -12.276 -3.770 -7.025 1.00 0.00 O ATOM 529 CB LYS A2596 -9.399 -5.118 -6.890 1.00 0.00 C ATOM 530 CG LYS A2596 -8.121 -5.331 -7.654 1.00 0.00 C ATOM 531 CD LYS A2596 -7.672 -6.768 -7.593 1.00 0.00 C ATOM 532 CE LYS A2596 -6.434 -6.980 -8.441 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.291 -6.147 -7.994 1.00 0.00 N ATOM 0 H LYS A2596 -8.308 -3.309 -5.573 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.904 -3.338 -7.939 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.252 -5.433 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -10.175 -5.757 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -8.265 -5.038 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.341 -4.688 -7.246 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.463 -7.045 -6.560 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -8.473 -7.419 -7.942 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -6.149 -8.031 -8.406 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -6.665 -6.747 -9.480 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.434 -6.734 -7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -5.138 -5.375 -8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.498 -5.747 -7.057 1.00 0.00 H new ATOM 547 N LEU A2597 -11.341 -3.306 -5.059 1.00 0.00 N ATOM 548 CA LEU A2597 -12.592 -3.192 -4.372 1.00 0.00 C ATOM 549 C LEU A2597 -13.186 -1.807 -4.604 1.00 0.00 C ATOM 550 O LEU A2597 -14.410 -1.655 -4.723 1.00 0.00 O ATOM 551 CB LEU A2597 -12.391 -3.445 -2.879 1.00 0.00 C ATOM 552 CG LEU A2597 -11.668 -4.748 -2.511 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.508 -4.863 -1.016 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.389 -5.968 -3.076 1.00 0.00 C ATOM 0 H LEU A2597 -10.523 -3.144 -4.471 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.285 -3.938 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.829 -2.610 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.368 -3.445 -2.396 1.00 0.00 H new ATOM 0 HG LEU A2597 -10.676 -4.716 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -10.993 -5.793 -0.776 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -10.925 -4.020 -0.647 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -12.490 -4.859 -0.544 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.849 -6.872 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -13.401 -6.011 -2.674 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.433 -5.894 -4.163 1.00 0.00 H new ATOM 566 N HIS A2598 -12.323 -0.805 -4.688 1.00 0.00 N ATOM 567 CA HIS A2598 -12.745 0.576 -4.881 1.00 0.00 C ATOM 568 C HIS A2598 -12.005 1.231 -6.045 1.00 0.00 C ATOM 569 O HIS A2598 -11.044 1.955 -5.831 1.00 0.00 O ATOM 570 CB HIS A2598 -12.490 1.430 -3.622 1.00 0.00 C ATOM 571 CG HIS A2598 -13.163 0.935 -2.364 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.399 1.358 -1.931 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.727 0.059 -1.430 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.662 0.750 -0.771 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.679 -0.054 -0.420 1.00 0.00 N ATOM 0 H HIS A2598 -11.312 -0.925 -4.625 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.813 0.537 -5.093 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.415 1.477 -3.446 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.826 2.448 -3.819 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.786 -0.471 -1.463 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.564 0.898 -0.195 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.626 -0.637 0.416 1.00 0.00 H new ATOM 583 N PRO A2599 -12.421 0.996 -7.296 1.00 0.00 N ATOM 584 CA PRO A2599 -11.774 1.634 -8.457 1.00 0.00 C ATOM 585 C PRO A2599 -12.106 3.134 -8.507 1.00 0.00 C ATOM 586 O PRO A2599 -11.389 3.947 -9.105 1.00 0.00 O ATOM 587 CB PRO A2599 -12.394 0.904 -9.657 1.00 0.00 C ATOM 588 CG PRO A2599 -13.698 0.371 -9.158 1.00 0.00 C ATOM 589 CD PRO A2599 -13.512 0.084 -7.695 1.00 0.00 C ATOM 0 HA PRO A2599 -10.687 1.565 -8.430 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.541 1.582 -10.498 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.747 0.099 -10.006 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.497 1.096 -9.312 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -13.979 -0.533 -9.698 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.423 0.278 -7.130 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.246 -0.959 -7.522 1.00 0.00 H new ATOM 597 N THR A2600 -13.146 3.480 -7.785 1.00 0.00 N ATOM 598 CA THR A2600 -13.700 4.800 -7.714 1.00 0.00 C ATOM 599 C THR A2600 -13.044 5.601 -6.583 1.00 0.00 C ATOM 600 O THR A2600 -13.615 6.578 -6.060 1.00 0.00 O ATOM 601 CB THR A2600 -15.191 4.641 -7.416 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.343 3.747 -6.279 1.00 0.00 O ATOM 603 CG2 THR A2600 -15.931 4.062 -8.618 1.00 0.00 C ATOM 0 H THR A2600 -13.650 2.810 -7.204 1.00 0.00 H new ATOM 0 HA THR A2600 -13.529 5.333 -8.650 1.00 0.00 H new ATOM 0 HB THR A2600 -15.615 5.620 -7.195 1.00 0.00 H new ATOM 0 HG1 THR A2600 -14.998 4.183 -5.472 1.00 0.00 H new ATOM 0 HG21 THR A2600 -16.989 3.959 -8.379 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.815 4.729 -9.472 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.518 3.083 -8.863 1.00 0.00 H new ATOM 611 N TYR A2601 -11.863 5.192 -6.196 1.00 0.00 N ATOM 612 CA TYR A2601 -11.178 5.831 -5.114 1.00 0.00 C ATOM 613 C TYR A2601 -10.280 6.965 -5.643 1.00 0.00 C ATOM 614 O TYR A2601 -10.144 7.161 -6.857 1.00 0.00 O ATOM 615 CB TYR A2601 -10.334 4.803 -4.337 1.00 0.00 C ATOM 616 CG TYR A2601 -8.965 4.551 -4.920 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.804 4.000 -6.176 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.838 4.901 -4.209 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.565 3.817 -6.710 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.591 4.711 -4.724 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.451 4.174 -5.982 1.00 0.00 C ATOM 622 OH TYR A2601 -5.196 4.010 -6.524 1.00 0.00 O ATOM 0 H TYR A2601 -11.357 4.414 -6.620 1.00 0.00 H new ATOM 0 HA TYR A2601 -11.918 6.260 -4.439 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.220 5.148 -3.309 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.878 3.859 -4.298 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.675 3.709 -6.744 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -7.945 5.334 -3.225 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.456 3.395 -7.698 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.718 4.980 -4.148 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.520 4.311 -5.881 1.00 0.00 H new ATOM 632 N THR A2602 -9.699 7.690 -4.739 1.00 0.00 N ATOM 633 CA THR A2602 -8.741 8.722 -5.014 1.00 0.00 C ATOM 634 C THR A2602 -7.831 8.840 -3.792 1.00 0.00 C ATOM 635 O THR A2602 -8.284 8.604 -2.667 1.00 0.00 O ATOM 636 CB THR A2602 -9.471 10.064 -5.313 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.164 9.955 -6.565 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.526 11.255 -5.361 1.00 0.00 C ATOM 0 H THR A2602 -9.886 7.575 -3.743 1.00 0.00 H new ATOM 0 HA THR A2602 -8.145 8.480 -5.894 1.00 0.00 H new ATOM 0 HB THR A2602 -10.169 10.242 -4.495 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.156 9.021 -6.863 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.093 12.161 -5.573 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.022 11.359 -4.400 1.00 0.00 H new ATOM 0 HG23 THR A2602 -7.784 11.100 -6.144 1.00 0.00 H new ATOM 646 N VAL A2603 -6.558 9.112 -4.004 1.00 0.00 N ATOM 647 CA VAL A2603 -5.642 9.290 -2.896 1.00 0.00 C ATOM 648 C VAL A2603 -5.938 10.631 -2.233 1.00 0.00 C ATOM 649 O VAL A2603 -5.987 11.674 -2.902 1.00 0.00 O ATOM 650 CB VAL A2603 -4.155 9.205 -3.345 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.207 9.362 -2.161 1.00 0.00 C ATOM 652 CG2 VAL A2603 -3.883 7.885 -4.061 1.00 0.00 C ATOM 0 H VAL A2603 -6.137 9.214 -4.928 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.791 8.480 -2.182 1.00 0.00 H new ATOM 0 HB VAL A2603 -3.974 10.027 -4.038 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.176 9.298 -2.509 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.371 10.331 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.395 8.570 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -2.838 7.846 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.095 7.055 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.522 7.810 -4.941 1.00 0.00 H new ATOM 662 N ASP A2604 -6.162 10.593 -0.953 1.00 0.00 N ATOM 663 CA ASP A2604 -6.549 11.772 -0.200 1.00 0.00 C ATOM 664 C ASP A2604 -5.342 12.638 0.040 1.00 0.00 C ATOM 665 O ASP A2604 -5.326 13.824 -0.283 1.00 0.00 O ATOM 666 CB ASP A2604 -7.154 11.361 1.137 1.00 0.00 C ATOM 667 CG ASP A2604 -7.659 12.533 1.939 1.00 0.00 C ATOM 668 OD1 ASP A2604 -6.886 13.153 2.698 1.00 0.00 O ATOM 669 OD2 ASP A2604 -8.855 12.821 1.869 1.00 0.00 O ATOM 0 H ASP A2604 -6.084 9.746 -0.390 1.00 0.00 H new ATOM 0 HA ASP A2604 -7.290 12.331 -0.772 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.976 10.668 0.960 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.405 10.825 1.719 1.00 0.00 H new