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= -0.276 X(o=0.56,f=0.31) USER MOD Set 1.2: A2600 THR OG1 : rot 78:sc= 0.839 USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 180:sc= 0 USER MOD Single : A2587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2588 ASN :FLIP amide:sc= -0.123 F(o=-0.94,f=-0.12) USER MOD Single : A2589 LYS NZ :NH3+ 153:sc= 1.2 (180deg=0.879) USER MOD Single : A2596 LYS NZ :NH3+ -162:sc= -0.0454 (180deg=-0.317) USER MOD Single : A2598 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot -140:sc=-0.00376 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.848 -2.172 2.847 1.00 0.00 N ATOM 33 CA PRO A2565 4.574 -2.802 2.469 1.00 0.00 C ATOM 34 C PRO A2565 3.517 -2.560 3.564 1.00 0.00 C ATOM 35 O PRO A2565 2.308 -2.699 3.344 1.00 0.00 O ATOM 36 CB PRO A2565 4.918 -4.298 2.361 1.00 0.00 C ATOM 37 CG PRO A2565 6.186 -4.464 3.132 1.00 0.00 C ATOM 38 CD PRO A2565 6.929 -3.163 3.010 1.00 0.00 C ATOM 0 HA PRO A2565 4.158 -2.403 1.544 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.121 -4.916 2.775 1.00 0.00 H new ATOM 0 HB3 PRO A2565 5.047 -4.598 1.321 1.00 0.00 H new ATOM 0 HG2 PRO A2565 5.978 -4.696 4.176 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.778 -5.288 2.734 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.532 -2.959 3.895 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.606 -3.164 2.156 1.00 0.00 H new ATOM 46 N ASP A2566 4.001 -2.159 4.729 1.00 0.00 N ATOM 47 CA ASP A2566 3.169 -1.862 5.876 1.00 0.00 C ATOM 48 C ASP A2566 2.813 -0.363 5.919 1.00 0.00 C ATOM 49 O ASP A2566 1.945 0.052 6.688 1.00 0.00 O ATOM 50 CB ASP A2566 3.879 -2.293 7.176 1.00 0.00 C ATOM 51 CG ASP A2566 3.020 -2.113 8.419 1.00 0.00 C ATOM 52 OD1 ASP A2566 2.075 -2.921 8.627 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.265 -1.186 9.206 1.00 0.00 O ATOM 0 H ASP A2566 4.998 -2.030 4.903 1.00 0.00 H new ATOM 0 HA ASP A2566 2.240 -2.426 5.786 1.00 0.00 H new ATOM 0 HB2 ASP A2566 4.170 -3.340 7.093 1.00 0.00 H new ATOM 0 HB3 ASP A2566 4.796 -1.715 7.290 1.00 0.00 H new ATOM 58 N THR A2567 3.466 0.444 5.074 1.00 0.00 N ATOM 59 CA THR A2567 3.188 1.873 5.016 1.00 0.00 C ATOM 60 C THR A2567 1.728 2.095 4.669 1.00 0.00 C ATOM 61 O THR A2567 1.213 1.501 3.725 1.00 0.00 O ATOM 62 CB THR A2567 4.091 2.591 3.977 1.00 0.00 C ATOM 63 OG1 THR A2567 5.457 2.409 4.333 1.00 0.00 O ATOM 64 CG2 THR A2567 3.797 4.087 3.905 1.00 0.00 C ATOM 0 H THR A2567 4.187 0.128 4.426 1.00 0.00 H new ATOM 0 HA THR A2567 3.405 2.298 5.996 1.00 0.00 H new ATOM 0 HB THR A2567 3.883 2.154 3.000 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.029 2.860 3.677 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.450 4.551 3.166 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.757 4.240 3.617 1.00 0.00 H new ATOM 0 HG23 THR A2567 3.973 4.540 4.881 1.00 0.00 H new ATOM 72 N ARG A2568 1.066 2.891 5.463 1.00 0.00 N ATOM 73 CA ARG A2568 -0.325 3.164 5.246 1.00 0.00 C ATOM 74 C ARG A2568 -0.468 4.184 4.133 1.00 0.00 C ATOM 75 O ARG A2568 0.323 5.137 4.041 1.00 0.00 O ATOM 76 CB ARG A2568 -1.002 3.664 6.512 1.00 0.00 C ATOM 77 CG ARG A2568 -0.945 2.724 7.716 1.00 0.00 C ATOM 78 CD ARG A2568 -1.456 1.321 7.399 1.00 0.00 C ATOM 79 NE ARG A2568 -1.657 0.525 8.636 1.00 0.00 N ATOM 80 CZ ARG A2568 -1.011 -0.608 8.989 1.00 0.00 C ATOM 81 NH1 ARG A2568 0.067 -1.004 8.328 1.00 0.00 N ATOM 82 NH2 ARG A2568 -1.411 -1.298 10.057 1.00 0.00 N ATOM 0 H ARG A2568 1.472 3.364 6.271 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.818 2.235 4.960 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.546 4.613 6.794 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -2.048 3.869 6.285 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.083 2.659 8.071 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.537 3.146 8.528 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.396 1.390 6.852 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.745 0.812 6.748 1.00 0.00 H new ATOM 0 HE ARG A2568 -2.359 0.871 9.290 1.00 0.00 H new ATOM 0 HH11 ARG A2568 0.416 -0.452 7.545 1.00 0.00 H new ATOM 0 HH12 ARG A2568 0.547 -1.861 8.603 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -2.205 -0.971 10.608 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -0.923 -2.153 10.324 1.00 0.00 H new ATOM 96 N ILE A2569 -1.442 3.977 3.294 1.00 0.00 N ATOM 97 CA ILE A2569 -1.663 4.813 2.139 1.00 0.00 C ATOM 98 C ILE A2569 -3.005 5.540 2.288 1.00 0.00 C ATOM 99 O ILE A2569 -4.063 4.916 2.207 1.00 0.00 O ATOM 100 CB ILE A2569 -1.667 3.960 0.837 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.398 3.072 0.767 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.770 4.857 -0.402 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.916 3.839 0.706 1.00 0.00 C ATOM 0 H ILE A2569 -2.115 3.216 3.390 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.855 5.542 2.071 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.542 3.310 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.381 2.418 1.639 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.469 2.430 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.771 4.239 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.694 5.434 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.919 5.537 -0.431 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.747 3.135 0.659 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.927 4.472 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.016 4.460 1.596 1.00 0.00 H new ATOM 115 N PRO A2570 -2.972 6.850 2.566 1.00 0.00 N ATOM 116 CA PRO A2570 -4.183 7.653 2.766 1.00 0.00 C ATOM 117 C PRO A2570 -5.013 7.816 1.480 1.00 0.00 C ATOM 118 O PRO A2570 -4.619 8.522 0.529 1.00 0.00 O ATOM 119 CB PRO A2570 -3.651 9.003 3.261 1.00 0.00 C ATOM 120 CG PRO A2570 -2.246 9.068 2.764 1.00 0.00 C ATOM 121 CD PRO A2570 -1.745 7.651 2.721 1.00 0.00 C ATOM 0 HA PRO A2570 -4.868 7.178 3.468 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.246 9.829 2.872 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.689 9.068 4.348 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.205 9.525 1.775 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.629 9.678 3.423 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.057 7.495 1.890 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.208 7.388 3.633 1.00 0.00 H new ATOM 129 N VAL A2571 -6.152 7.164 1.450 1.00 0.00 N ATOM 130 CA VAL A2571 -7.030 7.175 0.297 1.00 0.00 C ATOM 131 C VAL A2571 -8.461 7.504 0.717 1.00 0.00 C ATOM 132 O VAL A2571 -8.786 7.510 1.914 1.00 0.00 O ATOM 133 CB VAL A2571 -7.015 5.817 -0.475 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.636 5.518 -1.054 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.466 4.671 0.418 1.00 0.00 C ATOM 0 H VAL A2571 -6.500 6.606 2.230 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.655 7.947 -0.375 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.719 5.911 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.663 4.566 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.352 6.311 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.906 5.463 -0.246 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.445 3.739 -0.147 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.796 4.591 1.274 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.481 4.860 0.768 1.00 0.00 H new ATOM 145 N ILE A2572 -9.295 7.796 -0.251 1.00 0.00 N ATOM 146 CA ILE A2572 -10.675 8.121 -0.006 1.00 0.00 C ATOM 147 C ILE A2572 -11.559 7.570 -1.145 1.00 0.00 C ATOM 148 O ILE A2572 -11.164 7.576 -2.300 1.00 0.00 O ATOM 149 CB ILE A2572 -10.854 9.677 0.153 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.329 10.055 0.391 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.274 10.437 -1.048 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.569 11.531 0.622 1.00 0.00 C ATOM 0 H ILE A2572 -9.032 7.814 -1.236 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.990 7.653 0.926 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.290 9.977 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.916 9.735 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.698 9.500 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.415 11.508 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.209 10.220 -1.136 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.785 10.123 -1.958 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.633 11.706 0.780 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.013 11.857 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.234 12.095 -0.249 1.00 0.00 H new ATOM 164 N ASN A2573 -12.707 7.037 -0.800 1.00 0.00 N ATOM 165 CA ASN A2573 -13.676 6.572 -1.790 1.00 0.00 C ATOM 166 C ASN A2573 -14.647 7.697 -1.956 1.00 0.00 C ATOM 167 O ASN A2573 -15.359 8.009 -1.011 1.00 0.00 O ATOM 168 CB ASN A2573 -14.436 5.336 -1.287 1.00 0.00 C ATOM 169 CG ASN A2573 -15.260 4.655 -2.377 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.951 4.730 -3.556 1.00 0.00 O ATOM 171 ND2 ASN A2573 -16.293 3.968 -1.988 1.00 0.00 N ATOM 0 H ASN A2573 -13.004 6.909 0.167 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.176 6.296 -2.719 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.723 4.620 -0.878 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.096 5.630 -0.471 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.866 3.476 -2.674 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.530 3.921 -0.997 1.00 0.00 H new ATOM 178 N LEU A2574 -14.718 8.292 -3.125 1.00 0.00 N ATOM 179 CA LEU A2574 -15.478 9.535 -3.274 1.00 0.00 C ATOM 180 C LEU A2574 -16.961 9.291 -3.266 1.00 0.00 C ATOM 181 O LEU A2574 -17.726 10.091 -2.757 1.00 0.00 O ATOM 182 CB LEU A2574 -15.059 10.310 -4.525 1.00 0.00 C ATOM 183 CG LEU A2574 -13.597 10.780 -4.576 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.335 11.549 -5.855 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.253 11.641 -3.365 1.00 0.00 C ATOM 0 H LEU A2574 -14.272 7.953 -3.977 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.241 10.151 -2.407 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.247 9.682 -5.396 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.703 11.184 -4.618 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.959 9.896 -4.556 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.295 11.875 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.531 10.906 -6.713 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -13.990 12.420 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.212 11.959 -3.428 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -13.900 12.518 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.401 11.062 -2.453 1.00 0.00 H new ATOM 197 N GLU A2575 -17.346 8.170 -3.789 1.00 0.00 N ATOM 198 CA GLU A2575 -18.731 7.799 -3.873 1.00 0.00 C ATOM 199 C GLU A2575 -19.351 7.539 -2.501 1.00 0.00 C ATOM 200 O GLU A2575 -20.382 8.125 -2.162 1.00 0.00 O ATOM 201 CB GLU A2575 -18.885 6.626 -4.819 1.00 0.00 C ATOM 202 CG GLU A2575 -18.865 7.014 -6.304 1.00 0.00 C ATOM 203 CD GLU A2575 -17.759 7.970 -6.721 1.00 0.00 C ATOM 204 OE1 GLU A2575 -17.948 9.199 -6.628 1.00 0.00 O ATOM 205 OE2 GLU A2575 -16.710 7.508 -7.182 1.00 0.00 O ATOM 0 H GLU A2575 -16.705 7.477 -4.175 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.291 8.641 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.083 5.912 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.823 6.117 -4.600 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -18.776 6.104 -6.897 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -19.825 7.466 -6.555 1.00 0.00 H new ATOM 212 N ASP A2576 -18.708 6.708 -1.701 1.00 0.00 N ATOM 213 CA ASP A2576 -19.216 6.422 -0.343 1.00 0.00 C ATOM 214 C ASP A2576 -18.846 7.522 0.616 1.00 0.00 C ATOM 215 O ASP A2576 -19.503 7.725 1.636 1.00 0.00 O ATOM 216 CB ASP A2576 -18.704 5.079 0.208 1.00 0.00 C ATOM 217 CG ASP A2576 -19.386 3.875 -0.391 1.00 0.00 C ATOM 218 OD1 ASP A2576 -18.994 3.437 -1.476 1.00 0.00 O ATOM 219 OD2 ASP A2576 -20.302 3.324 0.235 1.00 0.00 O ATOM 0 H ASP A2576 -17.847 6.220 -1.948 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.301 6.361 -0.432 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -17.632 5.007 0.024 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.844 5.064 1.289 1.00 0.00 H new ATOM 224 N GLY A2577 -17.780 8.216 0.301 1.00 0.00 N ATOM 225 CA GLY A2577 -17.314 9.284 1.134 1.00 0.00 C ATOM 226 C GLY A2577 -16.480 8.772 2.276 1.00 0.00 C ATOM 227 O GLY A2577 -16.283 9.462 3.258 1.00 0.00 O ATOM 0 H GLY A2577 -17.218 8.054 -0.535 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.726 9.981 0.537 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.166 9.839 1.526 1.00 0.00 H new ATOM 231 N THR A2578 -15.990 7.558 2.153 1.00 0.00 N ATOM 232 CA THR A2578 -15.201 6.994 3.200 1.00 0.00 C ATOM 233 C THR A2578 -13.755 7.420 3.001 1.00 0.00 C ATOM 234 O THR A2578 -13.241 7.404 1.882 1.00 0.00 O ATOM 235 CB THR A2578 -15.347 5.435 3.300 1.00 0.00 C ATOM 236 OG1 THR A2578 -14.872 4.985 4.566 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.575 4.694 2.210 1.00 0.00 C ATOM 0 H THR A2578 -16.128 6.955 1.342 1.00 0.00 H new ATOM 0 HA THR A2578 -15.565 7.374 4.155 1.00 0.00 H new ATOM 0 HB THR A2578 -16.407 5.216 3.174 1.00 0.00 H new ATOM 0 HG1 THR A2578 -14.967 4.011 4.624 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.715 3.620 2.332 1.00 0.00 H new ATOM 0 HG22 THR A2578 -14.944 4.999 1.231 1.00 0.00 H new ATOM 0 HG23 THR A2578 -13.514 4.933 2.289 1.00 0.00 H new ATOM 245 N ARG A2579 -13.133 7.838 4.044 1.00 0.00 N ATOM 246 CA ARG A2579 -11.792 8.325 3.966 1.00 0.00 C ATOM 247 C ARG A2579 -10.956 7.600 4.960 1.00 0.00 C ATOM 248 O ARG A2579 -11.339 7.452 6.118 1.00 0.00 O ATOM 249 CB ARG A2579 -11.778 9.811 4.222 1.00 0.00 C ATOM 250 CG ARG A2579 -10.438 10.475 4.047 1.00 0.00 C ATOM 251 CD ARG A2579 -10.562 11.949 4.310 1.00 0.00 C ATOM 252 NE ARG A2579 -9.313 12.670 4.098 1.00 0.00 N ATOM 253 CZ ARG A2579 -9.065 13.895 4.561 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.932 14.500 5.372 1.00 0.00 N ATOM 255 NH2 ARG A2579 -7.943 14.497 4.228 1.00 0.00 N ATOM 0 H ARG A2579 -13.536 7.854 4.981 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.383 8.150 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.493 10.287 3.550 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.126 9.992 5.239 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.712 10.034 4.730 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.068 10.307 3.036 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -11.331 12.366 3.660 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.895 12.103 5.336 1.00 0.00 H new ATOM 0 HE ARG A2579 -8.581 12.207 3.560 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -10.793 14.026 5.643 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -9.734 15.438 5.722 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -7.272 14.026 3.621 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -7.744 15.434 4.577 1.00 0.00 H new ATOM 269 N LEU A2580 -9.841 7.136 4.516 1.00 0.00 N ATOM 270 CA LEU A2580 -8.992 6.329 5.319 1.00 0.00 C ATOM 271 C LEU A2580 -7.601 6.908 5.300 1.00 0.00 C ATOM 272 O LEU A2580 -6.874 6.775 4.308 1.00 0.00 O ATOM 273 CB LEU A2580 -9.005 4.922 4.745 1.00 0.00 C ATOM 274 CG LEU A2580 -10.403 4.329 4.540 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.332 3.070 3.739 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.105 4.093 5.870 1.00 0.00 C ATOM 0 H LEU A2580 -9.489 7.308 3.574 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.335 6.300 6.353 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.484 4.930 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.441 4.267 5.410 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.995 5.054 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.336 2.666 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.894 3.283 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.714 2.340 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -12.094 3.672 5.690 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.519 3.399 6.472 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.205 5.039 6.402 1.00 0.00 H new ATOM 288 N VAL A2581 -7.258 7.600 6.346 1.00 0.00 N ATOM 289 CA VAL A2581 -5.965 8.219 6.467 1.00 0.00 C ATOM 290 C VAL A2581 -5.311 7.759 7.758 1.00 0.00 C ATOM 291 O VAL A2581 -5.993 7.208 8.635 1.00 0.00 O ATOM 292 CB VAL A2581 -6.053 9.782 6.434 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.604 10.275 5.098 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.907 10.312 7.579 1.00 0.00 C ATOM 0 H VAL A2581 -7.870 7.754 7.147 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.363 7.915 5.611 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.040 10.165 6.554 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.654 11.364 5.104 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.949 9.946 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.603 9.867 4.944 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.949 11.400 7.528 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.915 9.906 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.469 10.009 8.530 1.00 0.00 H new ATOM 304 N GLY A2582 -4.007 7.919 7.848 1.00 0.00 N ATOM 305 CA GLY A2582 -3.297 7.574 9.056 1.00 0.00 C ATOM 306 C GLY A2582 -3.270 6.092 9.267 1.00 0.00 C ATOM 307 O GLY A2582 -2.885 5.350 8.382 1.00 0.00 O ATOM 0 H GLY A2582 -3.420 8.286 7.099 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.277 7.954 9.002 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.772 8.056 9.910 1.00 0.00 H new ATOM 311 N GLU A2583 -3.746 5.665 10.393 1.00 0.00 N ATOM 312 CA GLU A2583 -3.754 4.269 10.745 1.00 0.00 C ATOM 313 C GLU A2583 -4.955 3.543 10.173 1.00 0.00 C ATOM 314 O GLU A2583 -4.979 2.318 10.121 1.00 0.00 O ATOM 315 CB GLU A2583 -3.639 4.041 12.261 1.00 0.00 C ATOM 316 CG GLU A2583 -4.660 4.757 13.131 1.00 0.00 C ATOM 317 CD GLU A2583 -4.444 6.241 13.181 1.00 0.00 C ATOM 318 OE1 GLU A2583 -3.586 6.699 13.952 1.00 0.00 O ATOM 319 OE2 GLU A2583 -5.085 6.965 12.405 1.00 0.00 O ATOM 0 H GLU A2583 -4.145 6.276 11.105 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.862 3.840 10.289 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -3.717 2.971 12.453 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -2.643 4.350 12.578 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -5.661 4.553 12.751 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -4.615 4.354 14.143 1.00 0.00 H new ATOM 326 N ASP A2584 -5.967 4.289 9.766 1.00 0.00 N ATOM 327 CA ASP A2584 -7.161 3.678 9.161 1.00 0.00 C ATOM 328 C ASP A2584 -6.957 3.468 7.692 1.00 0.00 C ATOM 329 O ASP A2584 -7.757 2.811 7.028 1.00 0.00 O ATOM 330 CB ASP A2584 -8.426 4.496 9.398 1.00 0.00 C ATOM 331 CG ASP A2584 -8.934 4.413 10.808 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.485 5.185 11.658 1.00 0.00 O ATOM 333 OD2 ASP A2584 -9.808 3.574 11.087 1.00 0.00 O ATOM 0 H ASP A2584 -5.997 5.306 9.837 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.301 2.715 9.652 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.227 5.539 9.152 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.205 4.152 8.718 1.00 0.00 H new ATOM 338 N ALA A2585 -5.887 4.027 7.186 1.00 0.00 N ATOM 339 CA ALA A2585 -5.523 3.879 5.807 1.00 0.00 C ATOM 340 C ALA A2585 -5.032 2.452 5.561 1.00 0.00 C ATOM 341 O ALA A2585 -4.433 1.832 6.459 1.00 0.00 O ATOM 342 CB ALA A2585 -4.446 4.883 5.467 1.00 0.00 C ATOM 0 H ALA A2585 -5.241 4.602 7.727 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.387 4.063 5.169 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.165 4.775 4.419 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.821 5.892 5.640 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.573 4.708 6.096 1.00 0.00 H new ATOM 348 N PRO A2586 -5.314 1.891 4.373 1.00 0.00 N ATOM 349 CA PRO A2586 -4.884 0.541 4.019 1.00 0.00 C ATOM 350 C PRO A2586 -3.361 0.432 3.915 1.00 0.00 C ATOM 351 O PRO A2586 -2.651 1.441 3.728 1.00 0.00 O ATOM 352 CB PRO A2586 -5.535 0.294 2.649 1.00 0.00 C ATOM 353 CG PRO A2586 -5.784 1.651 2.098 1.00 0.00 C ATOM 354 CD PRO A2586 -6.075 2.527 3.281 1.00 0.00 C ATOM 0 HA PRO A2586 -5.176 -0.189 4.774 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.879 -0.283 1.998 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.463 -0.269 2.748 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.917 2.014 1.547 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.623 1.642 1.402 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.751 3.554 3.110 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.142 2.562 3.502 1.00 0.00 H new ATOM 362 N LYS A2587 -2.870 -0.770 4.051 1.00 0.00 N ATOM 363 CA LYS A2587 -1.454 -1.048 3.993 1.00 0.00 C ATOM 364 C LYS A2587 -1.018 -1.049 2.541 1.00 0.00 C ATOM 365 O LYS A2587 -1.805 -1.369 1.674 1.00 0.00 O ATOM 366 CB LYS A2587 -1.193 -2.417 4.612 1.00 0.00 C ATOM 367 CG LYS A2587 -1.767 -2.555 6.010 1.00 0.00 C ATOM 368 CD LYS A2587 -1.646 -3.966 6.529 1.00 0.00 C ATOM 369 CE LYS A2587 -2.358 -4.116 7.866 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.368 -5.512 8.349 1.00 0.00 N ATOM 0 H LYS A2587 -3.447 -1.597 4.207 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.894 -0.291 4.542 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.622 -3.187 3.971 1.00 0.00 H new ATOM 0 HB3 LYS A2587 -0.118 -2.595 4.647 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -1.248 -1.874 6.685 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.816 -2.259 6.003 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -2.072 -4.662 5.806 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.594 -4.227 6.641 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -1.870 -3.482 8.607 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -3.384 -3.761 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -2.864 -5.560 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -2.857 -6.115 7.657 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -1.390 -5.845 8.469 1.00 0.00 H new ATOM 384 N ASN A2588 0.221 -0.712 2.291 1.00 0.00 N ATOM 385 CA ASN A2588 0.773 -0.633 0.935 1.00 0.00 C ATOM 386 C ASN A2588 0.708 -1.978 0.208 1.00 0.00 C ATOM 387 O ASN A2588 0.558 -2.038 -1.019 1.00 0.00 O ATOM 388 CB ASN A2588 2.202 -0.091 0.981 1.00 0.00 C ATOM 389 CG ASN A2588 2.845 0.029 -0.387 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.641 1.149 -1.032 1.00 0.00 O flip ATOM 391 ND2 ASN A2588 3.538 -0.881 -0.855 1.00 0.00 N flip ATOM 0 H ASN A2588 0.894 -0.479 3.021 1.00 0.00 H new ATOM 0 HA ASN A2588 0.156 0.059 0.361 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.196 0.889 1.459 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.811 -0.746 1.604 1.00 0.00 H new ATOM 0 HD21 ASN A2588 3.676 -1.741 -0.325 1.00 0.00 H new ATOM 0 HD22 ASN A2588 3.972 -0.772 -1.772 1.00 0.00 H new ATOM 398 N LYS A2589 0.792 -3.051 0.959 1.00 0.00 N ATOM 399 CA LYS A2589 0.680 -4.373 0.387 1.00 0.00 C ATOM 400 C LYS A2589 -0.767 -4.645 -0.087 1.00 0.00 C ATOM 401 O LYS A2589 -0.982 -5.132 -1.192 1.00 0.00 O ATOM 402 CB LYS A2589 1.174 -5.443 1.380 1.00 0.00 C ATOM 403 CG LYS A2589 0.390 -5.525 2.684 1.00 0.00 C ATOM 404 CD LYS A2589 1.019 -6.521 3.633 1.00 0.00 C ATOM 405 CE LYS A2589 0.134 -6.805 4.837 1.00 0.00 C ATOM 406 NZ LYS A2589 -1.131 -7.470 4.459 1.00 0.00 N ATOM 0 H LYS A2589 0.938 -3.035 1.968 1.00 0.00 H new ATOM 0 HA LYS A2589 1.323 -4.427 -0.491 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.137 -6.416 0.890 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.220 -5.244 1.615 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.355 -4.542 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.640 -5.816 2.476 1.00 0.00 H new ATOM 0 HD2 LYS A2589 1.216 -7.452 3.102 1.00 0.00 H new ATOM 0 HD3 LYS A2589 1.981 -6.138 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.676 -7.434 5.543 1.00 0.00 H new ATOM 0 HE3 LYS A2589 -0.089 -5.869 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -1.477 -8.039 5.258 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -1.841 -6.751 4.213 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -0.967 -8.089 3.639 1.00 0.00 H new ATOM 420 N ASP A2590 -1.738 -4.232 0.717 1.00 0.00 N ATOM 421 CA ASP A2590 -3.168 -4.460 0.427 1.00 0.00 C ATOM 422 C ASP A2590 -3.708 -3.408 -0.509 1.00 0.00 C ATOM 423 O ASP A2590 -4.782 -3.575 -1.084 1.00 0.00 O ATOM 424 CB ASP A2590 -4.012 -4.419 1.704 1.00 0.00 C ATOM 425 CG ASP A2590 -3.823 -5.588 2.653 1.00 0.00 C ATOM 426 OD1 ASP A2590 -2.757 -5.700 3.290 1.00 0.00 O ATOM 427 OD2 ASP A2590 -4.761 -6.405 2.809 1.00 0.00 O ATOM 0 H ASP A2590 -1.569 -3.730 1.589 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.234 -5.446 -0.033 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.783 -3.498 2.240 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.064 -4.370 1.422 1.00 0.00 H new ATOM 432 N LEU A2591 -2.946 -2.340 -0.654 1.00 0.00 N ATOM 433 CA LEU A2591 -3.281 -1.168 -1.457 1.00 0.00 C ATOM 434 C LEU A2591 -3.784 -1.563 -2.834 1.00 0.00 C ATOM 435 O LEU A2591 -4.878 -1.193 -3.220 1.00 0.00 O ATOM 436 CB LEU A2591 -2.027 -0.222 -1.500 1.00 0.00 C ATOM 437 CG LEU A2591 -2.028 1.054 -2.385 1.00 0.00 C ATOM 438 CD1 LEU A2591 -1.775 0.753 -3.839 1.00 0.00 C ATOM 439 CD2 LEU A2591 -3.288 1.877 -2.179 1.00 0.00 C ATOM 0 H LEU A2591 -2.037 -2.257 -0.198 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.107 -0.621 -1.001 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.831 0.097 -0.477 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.178 -0.829 -1.813 1.00 0.00 H new ATOM 0 HG LEU A2591 -1.187 1.664 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -1.787 1.681 -4.410 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -0.803 0.273 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -2.552 0.087 -4.213 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -3.253 2.762 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -4.161 1.278 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -3.356 2.183 -1.135 1.00 0.00 H new ATOM 451 N VAL A2592 -3.033 -2.381 -3.522 1.00 0.00 N ATOM 452 CA VAL A2592 -3.390 -2.780 -4.875 1.00 0.00 C ATOM 453 C VAL A2592 -4.703 -3.581 -4.927 1.00 0.00 C ATOM 454 O VAL A2592 -5.481 -3.479 -5.884 1.00 0.00 O ATOM 455 CB VAL A2592 -2.264 -3.574 -5.552 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.076 -2.673 -5.809 1.00 0.00 C ATOM 457 CG2 VAL A2592 -1.843 -4.756 -4.688 1.00 0.00 C ATOM 0 H VAL A2592 -2.166 -2.790 -3.174 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.543 -1.853 -5.428 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.636 -3.956 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.282 -3.245 -6.289 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.376 -1.852 -6.460 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.712 -2.272 -4.863 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.044 -5.305 -5.187 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.487 -4.393 -3.724 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -2.696 -5.417 -4.535 1.00 0.00 H new ATOM 467 N GLU A2593 -4.939 -4.364 -3.904 1.00 0.00 N ATOM 468 CA GLU A2593 -6.117 -5.171 -3.812 1.00 0.00 C ATOM 469 C GLU A2593 -7.330 -4.324 -3.502 1.00 0.00 C ATOM 470 O GLU A2593 -8.380 -4.479 -4.122 1.00 0.00 O ATOM 471 CB GLU A2593 -5.918 -6.264 -2.790 1.00 0.00 C ATOM 472 CG GLU A2593 -4.871 -7.282 -3.205 1.00 0.00 C ATOM 473 CD GLU A2593 -4.750 -8.422 -2.239 1.00 0.00 C ATOM 474 OE1 GLU A2593 -5.745 -9.143 -2.033 1.00 0.00 O ATOM 475 OE2 GLU A2593 -3.651 -8.661 -1.710 1.00 0.00 O ATOM 0 H GLU A2593 -4.309 -4.456 -3.107 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.297 -5.644 -4.778 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -5.625 -5.817 -1.840 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -6.867 -6.774 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.123 -7.673 -4.191 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -3.905 -6.786 -3.296 1.00 0.00 H new ATOM 482 N TRP A2594 -7.158 -3.397 -2.577 1.00 0.00 N ATOM 483 CA TRP A2594 -8.214 -2.471 -2.167 1.00 0.00 C ATOM 484 C TRP A2594 -8.649 -1.640 -3.375 1.00 0.00 C ATOM 485 O TRP A2594 -9.833 -1.380 -3.578 1.00 0.00 O ATOM 486 CB TRP A2594 -7.691 -1.549 -1.047 1.00 0.00 C ATOM 487 CG TRP A2594 -8.762 -0.787 -0.310 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.434 -1.216 0.798 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.282 0.530 -0.604 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.334 -0.268 1.205 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.263 0.809 0.369 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.024 1.499 -1.587 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.982 2.002 0.388 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.738 2.673 -1.556 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.704 2.919 -0.579 1.00 0.00 C ATOM 0 H TRP A2594 -6.277 -3.259 -2.082 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.069 -3.031 -1.788 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.133 -2.151 -0.330 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -6.989 -0.836 -1.479 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.278 -2.168 1.284 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.959 -0.353 2.007 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.281 1.326 -2.351 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.732 2.192 1.142 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.547 3.425 -2.307 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.242 3.856 -0.590 1.00 0.00 H new ATOM 506 N LEU A2595 -7.670 -1.287 -4.199 1.00 0.00 N ATOM 507 CA LEU A2595 -7.885 -0.490 -5.415 1.00 0.00 C ATOM 508 C LEU A2595 -8.750 -1.199 -6.415 1.00 0.00 C ATOM 509 O LEU A2595 -9.554 -0.577 -7.099 1.00 0.00 O ATOM 510 CB LEU A2595 -6.547 -0.115 -6.042 1.00 0.00 C ATOM 511 CG LEU A2595 -5.905 1.189 -5.565 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.167 1.459 -4.093 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.421 1.164 -5.842 1.00 0.00 C ATOM 0 H LEU A2595 -6.695 -1.544 -4.047 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.413 0.417 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.845 -0.928 -5.856 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.683 -0.052 -7.122 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.366 2.004 -6.123 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.690 2.396 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.241 1.531 -3.922 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.758 0.644 -3.495 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -3.971 2.096 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -3.966 0.326 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.253 1.052 -6.913 1.00 0.00 H new ATOM 525 N LYS A2596 -8.598 -2.491 -6.501 1.00 0.00 N ATOM 526 CA LYS A2596 -9.406 -3.265 -7.413 1.00 0.00 C ATOM 527 C LYS A2596 -10.828 -3.414 -6.897 1.00 0.00 C ATOM 528 O LYS A2596 -11.767 -3.553 -7.675 1.00 0.00 O ATOM 529 CB LYS A2596 -8.758 -4.599 -7.735 1.00 0.00 C ATOM 530 CG LYS A2596 -7.485 -4.437 -8.542 1.00 0.00 C ATOM 531 CD LYS A2596 -6.852 -5.766 -8.878 1.00 0.00 C ATOM 532 CE LYS A2596 -5.662 -5.583 -9.812 1.00 0.00 C ATOM 533 NZ LYS A2596 -6.074 -5.077 -11.141 1.00 0.00 N ATOM 0 H LYS A2596 -7.927 -3.032 -5.956 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.470 -2.719 -8.354 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -8.534 -5.125 -6.807 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.462 -5.218 -8.291 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.707 -3.898 -9.463 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -6.775 -3.830 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -6.528 -6.260 -7.962 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.590 -6.416 -9.347 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -4.952 -4.888 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.144 -6.535 -9.931 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -5.314 -5.251 -11.829 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.938 -5.569 -11.447 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -6.260 -4.055 -11.081 1.00 0.00 H new ATOM 547 N LEU A2597 -10.986 -3.349 -5.595 1.00 0.00 N ATOM 548 CA LEU A2597 -12.296 -3.384 -4.995 1.00 0.00 C ATOM 549 C LEU A2597 -12.968 -2.014 -5.060 1.00 0.00 C ATOM 550 O LEU A2597 -14.196 -1.919 -5.000 1.00 0.00 O ATOM 551 CB LEU A2597 -12.242 -3.900 -3.544 1.00 0.00 C ATOM 552 CG LEU A2597 -12.218 -5.431 -3.327 1.00 0.00 C ATOM 553 CD1 LEU A2597 -13.519 -6.060 -3.787 1.00 0.00 C ATOM 554 CD2 LEU A2597 -11.046 -6.100 -4.023 1.00 0.00 C ATOM 0 H LEU A2597 -10.217 -3.271 -4.929 1.00 0.00 H new ATOM 0 HA LEU A2597 -12.899 -4.085 -5.572 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.354 -3.480 -3.071 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.105 -3.499 -3.013 1.00 0.00 H new ATOM 0 HG LEU A2597 -12.097 -5.591 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -13.480 -7.137 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -14.348 -5.638 -3.219 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -13.666 -5.858 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.078 -7.174 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -11.106 -5.915 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -10.112 -5.692 -3.636 1.00 0.00 H new ATOM 566 N HIS A2598 -12.177 -0.965 -5.190 1.00 0.00 N ATOM 567 CA HIS A2598 -12.702 0.391 -5.267 1.00 0.00 C ATOM 568 C HIS A2598 -12.172 1.148 -6.475 1.00 0.00 C ATOM 569 O HIS A2598 -11.201 1.885 -6.371 1.00 0.00 O ATOM 570 CB HIS A2598 -12.427 1.205 -3.988 1.00 0.00 C ATOM 571 CG HIS A2598 -13.180 0.734 -2.783 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.440 1.180 -2.447 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.831 -0.151 -1.823 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.810 0.574 -1.324 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.868 -0.254 -0.897 1.00 0.00 N ATOM 0 H HIS A2598 -11.160 -1.025 -5.245 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.781 0.276 -5.375 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.359 1.169 -3.771 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.680 2.249 -4.175 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.897 -0.692 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.754 0.735 -0.825 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.896 -0.843 -0.065 1.00 0.00 H new ATOM 583 N PRO A2599 -12.781 0.965 -7.654 1.00 0.00 N ATOM 584 CA PRO A2599 -12.390 1.710 -8.862 1.00 0.00 C ATOM 585 C PRO A2599 -12.883 3.165 -8.806 1.00 0.00 C ATOM 586 O PRO A2599 -12.569 3.985 -9.669 1.00 0.00 O ATOM 587 CB PRO A2599 -13.096 0.950 -9.989 1.00 0.00 C ATOM 588 CG PRO A2599 -14.281 0.321 -9.339 1.00 0.00 C ATOM 589 CD PRO A2599 -13.858 -0.013 -7.935 1.00 0.00 C ATOM 0 HA PRO A2599 -11.309 1.768 -8.987 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -13.396 1.623 -10.792 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.441 0.198 -10.430 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -15.132 1.002 -9.338 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.590 -0.575 -9.877 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.685 0.088 -7.232 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.498 -1.039 -7.858 1.00 0.00 H new ATOM 597 N THR A2600 -13.653 3.461 -7.787 1.00 0.00 N ATOM 598 CA THR A2600 -14.216 4.767 -7.566 1.00 0.00 C ATOM 599 C THR A2600 -13.437 5.510 -6.474 1.00 0.00 C ATOM 600 O THR A2600 -13.900 6.527 -5.928 1.00 0.00 O ATOM 601 CB THR A2600 -15.681 4.600 -7.131 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.752 3.599 -6.084 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.556 4.174 -8.305 1.00 0.00 C ATOM 0 H THR A2600 -13.911 2.781 -7.071 1.00 0.00 H new ATOM 0 HA THR A2600 -14.157 5.348 -8.486 1.00 0.00 H new ATOM 0 HB THR A2600 -16.048 5.558 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A2600 -15.460 3.992 -5.235 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.587 4.063 -7.969 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.509 4.931 -9.088 1.00 0.00 H new ATOM 0 HG23 THR A2600 -16.199 3.223 -8.699 1.00 0.00 H new ATOM 611 N TYR A2601 -12.257 5.017 -6.154 1.00 0.00 N ATOM 612 CA TYR A2601 -11.487 5.613 -5.098 1.00 0.00 C ATOM 613 C TYR A2601 -10.586 6.713 -5.671 1.00 0.00 C ATOM 614 O TYR A2601 -10.437 6.848 -6.890 1.00 0.00 O ATOM 615 CB TYR A2601 -10.628 4.545 -4.379 1.00 0.00 C ATOM 616 CG TYR A2601 -9.207 4.435 -4.902 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.931 3.965 -6.176 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.153 4.861 -4.120 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.647 3.936 -6.650 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.869 4.825 -4.576 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.611 4.366 -5.847 1.00 0.00 C ATOM 622 OH TYR A2601 -5.313 4.353 -6.329 1.00 0.00 O ATOM 0 H TYR A2601 -11.820 4.215 -6.608 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.171 6.050 -4.371 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.595 4.778 -3.315 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.116 3.575 -4.478 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.739 3.617 -6.803 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.350 5.231 -3.125 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.446 3.578 -7.649 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -6.059 5.155 -3.943 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.704 4.688 -5.638 1.00 0.00 H new ATOM 632 N THR A2602 -10.004 7.467 -4.805 1.00 0.00 N ATOM 633 CA THR A2602 -9.041 8.462 -5.133 1.00 0.00 C ATOM 634 C THR A2602 -8.010 8.509 -3.993 1.00 0.00 C ATOM 635 O THR A2602 -8.358 8.254 -2.835 1.00 0.00 O ATOM 636 CB THR A2602 -9.744 9.825 -5.288 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.733 9.727 -6.324 1.00 0.00 O ATOM 638 CG2 THR A2602 -8.756 10.918 -5.637 1.00 0.00 C ATOM 0 H THR A2602 -10.194 7.405 -3.805 1.00 0.00 H new ATOM 0 HA THR A2602 -8.542 8.229 -6.074 1.00 0.00 H new ATOM 0 HB THR A2602 -10.212 10.082 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A2602 -10.727 10.547 -6.860 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.284 11.866 -5.739 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.011 11.001 -4.846 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.261 10.675 -6.577 1.00 0.00 H new ATOM 646 N VAL A2603 -6.754 8.740 -4.310 1.00 0.00 N ATOM 647 CA VAL A2603 -5.738 8.873 -3.281 1.00 0.00 C ATOM 648 C VAL A2603 -5.915 10.242 -2.628 1.00 0.00 C ATOM 649 O VAL A2603 -6.041 11.255 -3.331 1.00 0.00 O ATOM 650 CB VAL A2603 -4.294 8.737 -3.855 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.254 8.802 -2.746 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.142 7.440 -4.640 1.00 0.00 C ATOM 0 H VAL A2603 -6.411 8.840 -5.265 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.861 8.070 -2.555 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.128 9.576 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.257 8.704 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.334 9.758 -2.228 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.425 7.990 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.127 7.368 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.340 6.592 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.851 7.431 -5.468 1.00 0.00 H new ATOM 662 N ASP A2604 -5.944 10.277 -1.312 1.00 0.00 N ATOM 663 CA ASP A2604 -6.206 11.523 -0.597 1.00 0.00 C ATOM 664 C ASP A2604 -4.963 12.381 -0.566 1.00 0.00 C ATOM 665 O ASP A2604 -5.017 13.585 -0.837 1.00 0.00 O ATOM 666 CB ASP A2604 -6.727 11.258 0.824 1.00 0.00 C ATOM 667 CG ASP A2604 -7.100 12.533 1.559 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.015 13.246 1.112 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.533 12.820 2.624 1.00 0.00 O ATOM 0 H ASP A2604 -5.791 9.466 -0.713 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.987 12.062 -1.134 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.599 10.606 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -5.965 10.726 1.393 1.00 0.00 H new