USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 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= -0.0604 K(o=0.84,f=-0.077) USER MOD Set 1.2: A2598 HIS : no HD1:sc= 0 K(o=0.84,f=-0.34) USER MOD Set 1.3: A2600 THR OG1 : rot 78:sc= 0.899 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+ -134:sc= 1.24 (180deg=0.329) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.724 -1.989 1.764 1.00 0.00 N ATOM 33 CA PRO A2565 4.405 -2.652 1.798 1.00 0.00 C ATOM 34 C PRO A2565 3.691 -2.391 3.131 1.00 0.00 C ATOM 35 O PRO A2565 2.464 -2.557 3.257 1.00 0.00 O ATOM 36 CB PRO A2565 4.754 -4.143 1.672 1.00 0.00 C ATOM 37 CG PRO A2565 6.122 -4.163 1.081 1.00 0.00 C ATOM 38 CD PRO A2565 6.821 -2.972 1.652 1.00 0.00 C ATOM 0 HA PRO A2565 3.735 -2.293 1.017 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.735 -4.638 2.643 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.040 -4.664 1.035 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.646 -5.085 1.335 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.080 -4.109 -0.007 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.272 -3.190 2.620 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.620 -2.618 1.000 1.00 0.00 H new ATOM 46 N ASP A2566 4.479 -1.991 4.119 1.00 0.00 N ATOM 47 CA ASP A2566 4.004 -1.688 5.464 1.00 0.00 C ATOM 48 C ASP A2566 3.432 -0.282 5.540 1.00 0.00 C ATOM 49 O ASP A2566 2.618 0.009 6.401 1.00 0.00 O ATOM 50 CB ASP A2566 5.148 -1.812 6.491 1.00 0.00 C ATOM 51 CG ASP A2566 5.711 -3.214 6.634 1.00 0.00 C ATOM 52 OD1 ASP A2566 6.656 -3.577 5.870 1.00 0.00 O ATOM 53 OD2 ASP A2566 5.247 -3.966 7.522 1.00 0.00 O ATOM 0 H ASP A2566 5.485 -1.865 4.007 1.00 0.00 H new ATOM 0 HA ASP A2566 3.221 -2.409 5.698 1.00 0.00 H new ATOM 0 HB2 ASP A2566 5.954 -1.137 6.202 1.00 0.00 H new ATOM 0 HB3 ASP A2566 4.785 -1.478 7.463 1.00 0.00 H new ATOM 58 N THR A2567 3.850 0.574 4.637 1.00 0.00 N ATOM 59 CA THR A2567 3.429 1.956 4.617 1.00 0.00 C ATOM 60 C THR A2567 1.912 2.078 4.398 1.00 0.00 C ATOM 61 O THR A2567 1.331 1.340 3.600 1.00 0.00 O ATOM 62 CB THR A2567 4.202 2.710 3.518 1.00 0.00 C ATOM 63 OG1 THR A2567 5.611 2.473 3.705 1.00 0.00 O ATOM 64 CG2 THR A2567 3.939 4.210 3.583 1.00 0.00 C ATOM 0 H THR A2567 4.498 0.329 3.888 1.00 0.00 H new ATOM 0 HA THR A2567 3.652 2.402 5.586 1.00 0.00 H new ATOM 0 HB THR A2567 3.869 2.347 2.546 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.117 2.945 3.011 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.499 4.712 2.794 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.874 4.399 3.448 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.255 4.593 4.553 1.00 0.00 H new ATOM 72 N ARG A2568 1.287 2.957 5.155 1.00 0.00 N ATOM 73 CA ARG A2568 -0.131 3.205 5.049 1.00 0.00 C ATOM 74 C ARG A2568 -0.397 4.170 3.914 1.00 0.00 C ATOM 75 O ARG A2568 0.285 5.202 3.793 1.00 0.00 O ATOM 76 CB ARG A2568 -0.689 3.782 6.347 1.00 0.00 C ATOM 77 CG ARG A2568 -0.533 2.898 7.575 1.00 0.00 C ATOM 78 CD ARG A2568 -1.074 1.509 7.328 1.00 0.00 C ATOM 79 NE ARG A2568 -1.160 0.717 8.567 1.00 0.00 N ATOM 80 CZ ARG A2568 -0.288 -0.212 8.990 1.00 0.00 C ATOM 81 NH1 ARG A2568 0.880 -0.378 8.390 1.00 0.00 N ATOM 82 NH2 ARG A2568 -0.588 -0.963 10.043 1.00 0.00 N ATOM 0 H ARG A2568 1.754 3.521 5.865 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.628 2.255 4.853 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.197 4.735 6.542 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.749 3.993 6.205 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.520 2.836 7.849 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.056 3.349 8.418 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.063 1.581 6.876 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.433 0.993 6.613 1.00 0.00 H new ATOM 0 HE ARG A2568 -1.966 0.893 9.166 1.00 0.00 H new ATOM 0 HH11 ARG A2568 1.131 0.205 7.592 1.00 0.00 H new ATOM 0 HH12 ARG A2568 1.529 -1.089 8.726 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.477 -0.832 10.526 1.00 0.00 H new ATOM 0 HH22 ARG A2568 0.070 -1.670 10.369 1.00 0.00 H new ATOM 96 N ILE A2569 -1.368 3.848 3.094 1.00 0.00 N ATOM 97 CA ILE A2569 -1.692 4.652 1.936 1.00 0.00 C ATOM 98 C ILE A2569 -3.033 5.371 2.148 1.00 0.00 C ATOM 99 O ILE A2569 -4.093 4.750 2.077 1.00 0.00 O ATOM 100 CB ILE A2569 -1.763 3.789 0.647 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.504 2.900 0.524 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.907 4.689 -0.585 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.805 3.663 0.412 1.00 0.00 C ATOM 0 H ILE A2569 -1.956 3.023 3.209 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.898 5.388 1.812 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.637 3.141 0.708 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.453 2.244 1.393 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.612 2.261 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.956 4.072 -1.482 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.820 5.279 -0.500 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.048 5.357 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.632 2.957 0.330 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.781 4.298 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.943 4.282 1.299 1.00 0.00 H new ATOM 115 N PRO A2570 -2.991 6.673 2.463 1.00 0.00 N ATOM 116 CA PRO A2570 -4.197 7.477 2.713 1.00 0.00 C ATOM 117 C PRO A2570 -5.047 7.708 1.453 1.00 0.00 C ATOM 118 O PRO A2570 -4.679 8.486 0.546 1.00 0.00 O ATOM 119 CB PRO A2570 -3.649 8.797 3.244 1.00 0.00 C ATOM 120 CG PRO A2570 -2.247 8.856 2.755 1.00 0.00 C ATOM 121 CD PRO A2570 -1.764 7.455 2.631 1.00 0.00 C ATOM 0 HA PRO A2570 -4.872 6.971 3.404 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.231 9.642 2.877 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.689 8.832 4.333 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.196 9.367 1.793 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.621 9.419 3.448 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.095 7.337 1.778 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.210 7.144 3.516 1.00 0.00 H new ATOM 129 N VAL A2571 -6.177 7.048 1.405 1.00 0.00 N ATOM 130 CA VAL A2571 -7.068 7.100 0.262 1.00 0.00 C ATOM 131 C VAL A2571 -8.511 7.336 0.705 1.00 0.00 C ATOM 132 O VAL A2571 -8.826 7.256 1.901 1.00 0.00 O ATOM 133 CB VAL A2571 -6.999 5.795 -0.585 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.640 5.640 -1.249 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.301 4.571 0.269 1.00 0.00 C ATOM 0 H VAL A2571 -6.512 6.453 2.163 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.737 7.934 -0.357 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.758 5.874 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.623 4.720 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.457 6.490 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.864 5.599 -0.485 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.246 3.674 -0.348 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.572 4.502 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.302 4.660 0.691 1.00 0.00 H new ATOM 145 N ILE A2572 -9.368 7.635 -0.243 1.00 0.00 N ATOM 146 CA ILE A2572 -10.779 7.854 0.014 1.00 0.00 C ATOM 147 C ILE A2572 -11.598 7.353 -1.178 1.00 0.00 C ATOM 148 O ILE A2572 -11.141 7.434 -2.326 1.00 0.00 O ATOM 149 CB ILE A2572 -11.091 9.371 0.288 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.602 9.587 0.533 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.571 10.264 -0.834 1.00 0.00 C ATOM 152 CD1 ILE A2572 -13.020 11.024 0.753 1.00 0.00 C ATOM 0 H ILE A2572 -9.107 7.735 -1.224 1.00 0.00 H new ATOM 0 HA ILE A2572 -11.053 7.297 0.910 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.562 9.660 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -13.152 9.192 -0.321 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.900 9.001 1.403 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.805 11.304 -0.609 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.491 10.146 -0.922 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -11.045 9.980 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -14.097 11.069 0.916 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.504 11.423 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.760 11.617 -0.124 1.00 0.00 H new ATOM 164 N ASN A2573 -12.765 6.804 -0.911 1.00 0.00 N ATOM 165 CA ASN A2573 -13.652 6.345 -1.970 1.00 0.00 C ATOM 166 C ASN A2573 -14.645 7.433 -2.278 1.00 0.00 C ATOM 167 O ASN A2573 -15.324 7.922 -1.385 1.00 0.00 O ATOM 168 CB ASN A2573 -14.409 5.091 -1.565 1.00 0.00 C ATOM 169 CG ASN A2573 -15.191 4.489 -2.735 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.818 4.626 -3.910 1.00 0.00 O ATOM 171 ND2 ASN A2573 -16.275 3.841 -2.441 1.00 0.00 N ATOM 0 H ASN A2573 -13.126 6.663 0.032 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.045 6.109 -2.844 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.706 4.352 -1.180 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.097 5.329 -0.754 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.841 3.431 -3.184 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.561 3.741 -1.467 1.00 0.00 H new ATOM 178 N LEU A2574 -14.757 7.801 -3.530 1.00 0.00 N ATOM 179 CA LEU A2574 -15.633 8.900 -3.911 1.00 0.00 C ATOM 180 C LEU A2574 -17.095 8.465 -4.000 1.00 0.00 C ATOM 181 O LEU A2574 -17.999 9.295 -4.076 1.00 0.00 O ATOM 182 CB LEU A2574 -15.161 9.519 -5.222 1.00 0.00 C ATOM 183 CG LEU A2574 -13.748 10.117 -5.196 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.358 10.641 -6.566 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.657 11.229 -4.159 1.00 0.00 C ATOM 0 H LEU A2574 -14.259 7.363 -4.305 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.578 9.656 -3.128 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.200 8.756 -5.999 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.863 10.302 -5.508 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.051 9.326 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.353 11.060 -6.523 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.380 9.824 -7.288 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.061 11.415 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.648 11.641 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.369 12.016 -4.406 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.889 10.827 -3.173 1.00 0.00 H new ATOM 197 N GLU A2575 -17.325 7.168 -3.966 1.00 0.00 N ATOM 198 CA GLU A2575 -18.679 6.647 -4.042 1.00 0.00 C ATOM 199 C GLU A2575 -19.403 6.793 -2.715 1.00 0.00 C ATOM 200 O GLU A2575 -20.608 7.019 -2.672 1.00 0.00 O ATOM 201 CB GLU A2575 -18.683 5.182 -4.455 1.00 0.00 C ATOM 202 CG GLU A2575 -18.059 4.923 -5.801 1.00 0.00 C ATOM 203 CD GLU A2575 -18.719 5.702 -6.902 1.00 0.00 C ATOM 204 OE1 GLU A2575 -19.864 5.375 -7.267 1.00 0.00 O ATOM 205 OE2 GLU A2575 -18.124 6.666 -7.407 1.00 0.00 O ATOM 0 H GLU A2575 -16.598 6.457 -3.887 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.202 7.233 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.151 4.601 -3.702 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.712 4.821 -4.467 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.001 5.181 -5.762 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.120 3.858 -6.027 1.00 0.00 H new ATOM 212 N ASP A2576 -18.666 6.684 -1.651 1.00 0.00 N ATOM 213 CA ASP A2576 -19.249 6.720 -0.317 1.00 0.00 C ATOM 214 C ASP A2576 -18.790 7.909 0.483 1.00 0.00 C ATOM 215 O ASP A2576 -19.584 8.535 1.181 1.00 0.00 O ATOM 216 CB ASP A2576 -18.987 5.411 0.460 1.00 0.00 C ATOM 217 CG ASP A2576 -17.582 4.886 0.315 1.00 0.00 C ATOM 218 OD1 ASP A2576 -16.638 5.650 0.443 1.00 0.00 O ATOM 219 OD2 ASP A2576 -17.421 3.693 -0.025 1.00 0.00 O ATOM 0 H ASP A2576 -17.653 6.568 -1.667 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.324 6.821 -0.463 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -19.194 5.580 1.517 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -19.686 4.649 0.116 1.00 0.00 H new ATOM 224 N GLY A2577 -17.540 8.231 0.377 1.00 0.00 N ATOM 225 CA GLY A2577 -16.993 9.291 1.148 1.00 0.00 C ATOM 226 C GLY A2577 -16.247 8.733 2.329 1.00 0.00 C ATOM 227 O GLY A2577 -15.982 9.444 3.310 1.00 0.00 O ATOM 0 H GLY A2577 -16.877 7.767 -0.244 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.322 9.891 0.533 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -17.789 9.953 1.489 1.00 0.00 H new ATOM 231 N THR A2578 -15.956 7.445 2.276 1.00 0.00 N ATOM 232 CA THR A2578 -15.203 6.811 3.268 1.00 0.00 C ATOM 233 C THR A2578 -13.732 7.070 3.010 1.00 0.00 C ATOM 234 O THR A2578 -13.205 6.783 1.921 1.00 0.00 O ATOM 235 CB THR A2578 -15.526 5.318 3.265 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.820 5.082 3.864 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.464 4.508 3.936 1.00 0.00 C ATOM 0 H THR A2578 -16.254 6.828 1.520 1.00 0.00 H new ATOM 0 HA THR A2578 -15.449 7.205 4.254 1.00 0.00 H new ATOM 0 HB THR A2578 -15.558 4.991 2.226 1.00 0.00 H new ATOM 0 HG1 THR A2578 -17.015 4.122 3.854 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.739 3.454 3.909 1.00 0.00 H new ATOM 0 HG22 THR A2578 -13.516 4.650 3.417 1.00 0.00 H new ATOM 0 HG23 THR A2578 -14.362 4.829 4.973 1.00 0.00 H new ATOM 245 N ARG A2579 -13.089 7.626 3.988 1.00 0.00 N ATOM 246 CA ARG A2579 -11.707 7.985 3.877 1.00 0.00 C ATOM 247 C ARG A2579 -10.899 7.287 4.917 1.00 0.00 C ATOM 248 O ARG A2579 -11.317 7.161 6.078 1.00 0.00 O ATOM 249 CB ARG A2579 -11.529 9.481 4.001 1.00 0.00 C ATOM 250 CG ARG A2579 -10.099 9.940 3.819 1.00 0.00 C ATOM 251 CD ARG A2579 -9.984 11.437 3.763 1.00 0.00 C ATOM 252 NE ARG A2579 -10.359 12.084 5.019 1.00 0.00 N ATOM 253 CZ ARG A2579 -9.854 13.245 5.449 1.00 0.00 C ATOM 254 NH1 ARG A2579 -8.796 13.788 4.845 1.00 0.00 N ATOM 255 NH2 ARG A2579 -10.371 13.832 6.525 1.00 0.00 N ATOM 0 H ARG A2579 -13.509 7.846 4.891 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.357 7.674 2.893 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.157 9.975 3.260 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.882 9.800 4.982 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.491 9.561 4.641 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.696 9.512 2.901 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -8.958 11.708 3.512 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.619 11.815 2.962 1.00 0.00 H new ATOM 0 HE ARG A2579 -11.052 11.619 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -8.366 13.317 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -8.417 14.674 5.179 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -11.150 13.396 7.019 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -9.988 14.718 6.856 1.00 0.00 H new ATOM 269 N LEU A2580 -9.755 6.846 4.507 1.00 0.00 N ATOM 270 CA LEU A2580 -8.868 6.113 5.330 1.00 0.00 C ATOM 271 C LEU A2580 -7.506 6.768 5.253 1.00 0.00 C ATOM 272 O LEU A2580 -6.826 6.677 4.231 1.00 0.00 O ATOM 273 CB LEU A2580 -8.805 4.697 4.792 1.00 0.00 C ATOM 274 CG LEU A2580 -10.160 4.032 4.569 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.005 2.740 3.832 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.887 3.827 5.884 1.00 0.00 C ATOM 0 H LEU A2580 -9.407 6.994 3.560 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.199 6.095 6.368 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.262 4.707 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.227 4.086 5.485 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.765 4.698 3.954 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -10.985 2.285 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.543 2.927 2.863 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.374 2.065 4.410 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.850 3.351 5.697 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.288 3.190 6.535 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.046 4.792 6.366 1.00 0.00 H new ATOM 288 N VAL A2581 -7.141 7.479 6.289 1.00 0.00 N ATOM 289 CA VAL A2581 -5.862 8.156 6.348 1.00 0.00 C ATOM 290 C VAL A2581 -5.133 7.748 7.614 1.00 0.00 C ATOM 291 O VAL A2581 -5.772 7.325 8.591 1.00 0.00 O ATOM 292 CB VAL A2581 -5.993 9.718 6.279 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.556 10.164 4.936 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.854 10.255 7.410 1.00 0.00 C ATOM 0 H VAL A2581 -7.720 7.608 7.119 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.293 7.852 5.469 1.00 0.00 H new ATOM 0 HB VAL A2581 -4.989 10.129 6.389 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.635 11.251 4.918 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.893 9.835 4.136 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.543 9.726 4.792 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.923 11.340 7.331 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.852 9.822 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.405 9.989 8.367 1.00 0.00 H new ATOM 304 N GLY A2582 -3.824 7.840 7.588 1.00 0.00 N ATOM 305 CA GLY A2582 -3.009 7.486 8.724 1.00 0.00 C ATOM 306 C GLY A2582 -3.131 6.030 9.093 1.00 0.00 C ATOM 307 O GLY A2582 -2.972 5.154 8.254 1.00 0.00 O ATOM 0 H GLY A2582 -3.295 8.163 6.778 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -1.966 7.715 8.504 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.297 8.099 9.578 1.00 0.00 H new ATOM 311 N GLU A2583 -3.472 5.793 10.331 1.00 0.00 N ATOM 312 CA GLU A2583 -3.603 4.459 10.894 1.00 0.00 C ATOM 313 C GLU A2583 -4.768 3.721 10.249 1.00 0.00 C ATOM 314 O GLU A2583 -4.766 2.499 10.131 1.00 0.00 O ATOM 315 CB GLU A2583 -3.845 4.522 12.419 1.00 0.00 C ATOM 316 CG GLU A2583 -2.851 5.363 13.233 1.00 0.00 C ATOM 317 CD GLU A2583 -3.018 6.857 13.031 1.00 0.00 C ATOM 318 OE1 GLU A2583 -3.884 7.462 13.679 1.00 0.00 O ATOM 319 OE2 GLU A2583 -2.299 7.446 12.213 1.00 0.00 O ATOM 0 H GLU A2583 -3.673 6.536 11.000 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.671 3.929 10.697 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.847 4.916 12.590 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.832 3.504 12.810 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -2.972 5.131 14.291 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -1.835 5.078 12.958 1.00 0.00 H new ATOM 326 N ASP A2584 -5.739 4.488 9.817 1.00 0.00 N ATOM 327 CA ASP A2584 -6.969 3.971 9.234 1.00 0.00 C ATOM 328 C ASP A2584 -6.756 3.592 7.784 1.00 0.00 C ATOM 329 O ASP A2584 -7.559 2.865 7.195 1.00 0.00 O ATOM 330 CB ASP A2584 -8.064 5.037 9.300 1.00 0.00 C ATOM 331 CG ASP A2584 -8.387 5.495 10.702 1.00 0.00 C ATOM 332 OD1 ASP A2584 -7.624 6.306 11.278 1.00 0.00 O ATOM 333 OD2 ASP A2584 -9.420 5.086 11.253 1.00 0.00 O ATOM 0 H ASP A2584 -5.703 5.507 9.858 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.266 3.088 9.800 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.755 5.899 8.709 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -8.970 4.643 8.839 1.00 0.00 H new ATOM 338 N ALA A2585 -5.678 4.082 7.218 1.00 0.00 N ATOM 339 CA ALA A2585 -5.367 3.865 5.828 1.00 0.00 C ATOM 340 C ALA A2585 -4.901 2.441 5.604 1.00 0.00 C ATOM 341 O ALA A2585 -4.232 1.863 6.471 1.00 0.00 O ATOM 342 CB ALA A2585 -4.301 4.842 5.388 1.00 0.00 C ATOM 0 H ALA A2585 -4.988 4.646 7.714 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.267 4.026 5.234 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.067 4.676 4.336 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.663 5.861 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.402 4.694 5.987 1.00 0.00 H new ATOM 348 N PRO A2586 -5.264 1.839 4.463 1.00 0.00 N ATOM 349 CA PRO A2586 -4.842 0.487 4.131 1.00 0.00 C ATOM 350 C PRO A2586 -3.332 0.420 3.962 1.00 0.00 C ATOM 351 O PRO A2586 -2.675 1.438 3.665 1.00 0.00 O ATOM 352 CB PRO A2586 -5.540 0.199 2.788 1.00 0.00 C ATOM 353 CG PRO A2586 -5.849 1.540 2.223 1.00 0.00 C ATOM 354 CD PRO A2586 -6.101 2.432 3.401 1.00 0.00 C ATOM 0 HA PRO A2586 -5.099 -0.232 4.908 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.894 -0.372 2.121 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.447 -0.388 2.932 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.019 1.912 1.622 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.721 1.498 1.571 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.815 3.463 3.193 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.155 2.443 3.679 1.00 0.00 H new ATOM 362 N LYS A2587 -2.775 -0.741 4.160 1.00 0.00 N ATOM 363 CA LYS A2587 -1.360 -0.907 4.000 1.00 0.00 C ATOM 364 C LYS A2587 -1.058 -0.984 2.523 1.00 0.00 C ATOM 365 O LYS A2587 -1.925 -1.344 1.737 1.00 0.00 O ATOM 366 CB LYS A2587 -0.885 -2.161 4.742 1.00 0.00 C ATOM 367 CG LYS A2587 -1.218 -2.115 6.228 1.00 0.00 C ATOM 368 CD LYS A2587 -0.778 -3.357 6.993 1.00 0.00 C ATOM 369 CE LYS A2587 -1.499 -4.624 6.544 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.975 -4.529 6.652 1.00 0.00 N ATOM 0 H LYS A2587 -3.279 -1.585 4.432 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.824 -0.061 4.430 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.347 -3.041 4.296 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.192 -2.268 4.617 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.743 -1.239 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.294 -1.988 6.346 1.00 0.00 H new ATOM 0 HD2 LYS A2587 0.296 -3.493 6.866 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.956 -3.203 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -1.231 -4.839 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -1.151 -5.464 7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -3.347 -5.393 7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -3.228 -3.705 7.233 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -3.386 -4.423 5.703 1.00 0.00 H new ATOM 384 N ASN A2588 0.149 -0.655 2.146 1.00 0.00 N ATOM 385 CA ASN A2588 0.569 -0.620 0.739 1.00 0.00 C ATOM 386 C ASN A2588 0.437 -2.007 0.095 1.00 0.00 C ATOM 387 O ASN A2588 0.290 -2.144 -1.120 1.00 0.00 O ATOM 388 CB ASN A2588 1.992 -0.046 0.633 1.00 0.00 C ATOM 389 CG ASN A2588 2.477 0.229 -0.791 1.00 0.00 C ATOM 390 OD1 ASN A2588 1.691 0.505 -1.698 1.00 0.00 O ATOM 391 ND2 ASN A2588 3.777 0.219 -0.976 1.00 0.00 N ATOM 0 H ASN A2588 0.888 -0.398 2.801 1.00 0.00 H new ATOM 0 HA ASN A2588 -0.091 0.042 0.179 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.035 0.884 1.201 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.684 -0.742 1.108 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.163 0.444 -1.893 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.400 -0.014 -0.203 1.00 0.00 H new ATOM 398 N LYS A2589 0.479 -3.038 0.924 1.00 0.00 N ATOM 399 CA LYS A2589 0.227 -4.390 0.462 1.00 0.00 C ATOM 400 C LYS A2589 -1.265 -4.584 0.115 1.00 0.00 C ATOM 401 O LYS A2589 -1.595 -5.281 -0.826 1.00 0.00 O ATOM 402 CB LYS A2589 0.634 -5.437 1.506 1.00 0.00 C ATOM 403 CG LYS A2589 -0.076 -5.291 2.847 1.00 0.00 C ATOM 404 CD LYS A2589 0.053 -6.547 3.702 1.00 0.00 C ATOM 405 CE LYS A2589 -0.708 -7.726 3.097 1.00 0.00 C ATOM 406 NZ LYS A2589 -0.703 -8.903 3.986 1.00 0.00 N ATOM 0 H LYS A2589 0.685 -2.962 1.920 1.00 0.00 H new ATOM 0 HA LYS A2589 0.835 -4.532 -0.431 1.00 0.00 H new ATOM 0 HB2 LYS A2589 0.431 -6.430 1.106 1.00 0.00 H new ATOM 0 HB3 LYS A2589 1.710 -5.373 1.668 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.341 -4.441 3.387 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -1.131 -5.075 2.677 1.00 0.00 H new ATOM 0 HD2 LYS A2589 1.106 -6.809 3.806 1.00 0.00 H new ATOM 0 HD3 LYS A2589 -0.326 -6.345 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A2589 -1.737 -7.428 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A2589 -0.261 -7.993 2.140 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -1.230 -9.679 3.537 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 0.278 -9.204 4.158 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -1.153 -8.657 4.891 1.00 0.00 H new ATOM 420 N ASP A2590 -2.149 -3.932 0.870 1.00 0.00 N ATOM 421 CA ASP A2590 -3.604 -4.100 0.696 1.00 0.00 C ATOM 422 C ASP A2590 -4.091 -3.166 -0.349 1.00 0.00 C ATOM 423 O ASP A2590 -5.160 -3.361 -0.909 1.00 0.00 O ATOM 424 CB ASP A2590 -4.404 -3.755 1.957 1.00 0.00 C ATOM 425 CG ASP A2590 -3.994 -4.471 3.211 1.00 0.00 C ATOM 426 OD1 ASP A2590 -4.140 -5.708 3.287 1.00 0.00 O ATOM 427 OD2 ASP A2590 -3.559 -3.799 4.172 1.00 0.00 O ATOM 0 H ASP A2590 -1.889 -3.280 1.611 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.752 -5.149 0.440 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -4.324 -2.682 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.456 -3.970 1.767 1.00 0.00 H new ATOM 432 N LEU A2591 -3.292 -2.143 -0.591 1.00 0.00 N ATOM 433 CA LEU A2591 -3.588 -1.057 -1.504 1.00 0.00 C ATOM 434 C LEU A2591 -4.104 -1.585 -2.837 1.00 0.00 C ATOM 435 O LEU A2591 -5.171 -1.211 -3.274 1.00 0.00 O ATOM 436 CB LEU A2591 -2.303 -0.169 -1.639 1.00 0.00 C ATOM 437 CG LEU A2591 -2.290 1.039 -2.606 1.00 0.00 C ATOM 438 CD1 LEU A2591 -2.124 0.628 -4.036 1.00 0.00 C ATOM 439 CD2 LEU A2591 -3.503 1.928 -2.400 1.00 0.00 C ATOM 0 H LEU A2591 -2.383 -2.043 -0.138 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.394 -0.435 -1.115 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -2.066 0.210 -0.645 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.485 -0.827 -1.932 1.00 0.00 H new ATOM 0 HG LEU A2591 -1.409 1.632 -2.360 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -2.122 1.514 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -1.181 0.094 -4.154 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -2.948 -0.024 -4.325 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -3.462 2.766 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -4.411 1.352 -2.579 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -3.508 2.305 -1.377 1.00 0.00 H new ATOM 451 N VAL A2592 -3.402 -2.510 -3.413 1.00 0.00 N ATOM 452 CA VAL A2592 -3.782 -3.036 -4.707 1.00 0.00 C ATOM 453 C VAL A2592 -5.132 -3.796 -4.677 1.00 0.00 C ATOM 454 O VAL A2592 -5.923 -3.732 -5.635 1.00 0.00 O ATOM 455 CB VAL A2592 -2.673 -3.893 -5.326 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.489 -3.010 -5.682 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.235 -4.976 -4.360 1.00 0.00 C ATOM 0 H VAL A2592 -2.559 -2.924 -3.015 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.927 -2.168 -5.351 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.058 -4.369 -6.228 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.700 -3.620 -6.122 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.804 -2.251 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.113 -2.525 -4.781 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.447 -5.574 -4.817 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.858 -4.517 -3.446 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.084 -5.616 -4.121 1.00 0.00 H new ATOM 467 N GLU A2593 -5.402 -4.498 -3.590 1.00 0.00 N ATOM 468 CA GLU A2593 -6.666 -5.180 -3.424 1.00 0.00 C ATOM 469 C GLU A2593 -7.783 -4.201 -3.144 1.00 0.00 C ATOM 470 O GLU A2593 -8.903 -4.387 -3.583 1.00 0.00 O ATOM 471 CB GLU A2593 -6.581 -6.233 -2.332 1.00 0.00 C ATOM 472 CG GLU A2593 -6.074 -7.585 -2.802 1.00 0.00 C ATOM 473 CD GLU A2593 -4.743 -7.557 -3.507 1.00 0.00 C ATOM 474 OE1 GLU A2593 -4.713 -7.392 -4.750 1.00 0.00 O ATOM 475 OE2 GLU A2593 -3.707 -7.751 -2.842 1.00 0.00 O ATOM 0 H GLU A2593 -4.757 -4.609 -2.808 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.893 -5.687 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -5.925 -5.867 -1.542 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.569 -6.362 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -5.997 -8.247 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -6.814 -8.020 -3.473 1.00 0.00 H new ATOM 482 N TRP A2594 -7.465 -3.146 -2.447 1.00 0.00 N ATOM 483 CA TRP A2594 -8.440 -2.136 -2.114 1.00 0.00 C ATOM 484 C TRP A2594 -8.848 -1.390 -3.393 1.00 0.00 C ATOM 485 O TRP A2594 -9.986 -0.992 -3.557 1.00 0.00 O ATOM 486 CB TRP A2594 -7.851 -1.168 -1.076 1.00 0.00 C ATOM 487 CG TRP A2594 -8.887 -0.427 -0.296 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.499 -0.867 0.841 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.442 0.870 -0.574 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.402 0.057 1.282 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.388 1.135 0.438 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.238 1.834 -1.572 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.128 2.312 0.476 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.974 2.992 -1.522 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.906 3.228 -0.508 1.00 0.00 C ATOM 0 H TRP A2594 -6.527 -2.959 -2.093 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.326 -2.600 -1.681 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.220 -1.728 -0.386 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.208 -0.450 -1.585 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.298 -1.812 1.324 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.993 -0.040 2.108 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.519 1.669 -2.361 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.852 2.493 1.257 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.829 3.741 -2.287 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.461 4.154 -0.504 1.00 0.00 H new ATOM 506 N LEU A2595 -7.908 -1.271 -4.306 1.00 0.00 N ATOM 507 CA LEU A2595 -8.116 -0.584 -5.585 1.00 0.00 C ATOM 508 C LEU A2595 -8.974 -1.377 -6.541 1.00 0.00 C ATOM 509 O LEU A2595 -9.712 -0.806 -7.322 1.00 0.00 O ATOM 510 CB LEU A2595 -6.775 -0.266 -6.229 1.00 0.00 C ATOM 511 CG LEU A2595 -6.105 1.046 -5.828 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.293 1.367 -4.354 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.636 0.979 -6.163 1.00 0.00 C ATOM 0 H LEU A2595 -6.967 -1.647 -4.191 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.652 0.340 -5.368 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.088 -1.081 -6.000 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.912 -0.259 -7.310 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.582 1.849 -6.390 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.798 2.310 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.357 1.452 -4.133 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.859 0.570 -3.750 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.155 1.915 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.176 0.154 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.514 0.820 -7.234 1.00 0.00 H new ATOM 525 N LYS A2596 -8.864 -2.693 -6.502 1.00 0.00 N ATOM 526 CA LYS A2596 -9.700 -3.523 -7.377 1.00 0.00 C ATOM 527 C LYS A2596 -11.138 -3.481 -6.881 1.00 0.00 C ATOM 528 O LYS A2596 -12.095 -3.575 -7.652 1.00 0.00 O ATOM 529 CB LYS A2596 -9.187 -4.974 -7.444 1.00 0.00 C ATOM 530 CG LYS A2596 -9.387 -5.814 -6.183 1.00 0.00 C ATOM 531 CD LYS A2596 -8.742 -7.193 -6.283 1.00 0.00 C ATOM 532 CE LYS A2596 -9.306 -8.033 -7.416 1.00 0.00 C ATOM 533 NZ LYS A2596 -8.631 -9.345 -7.505 1.00 0.00 N ATOM 0 H LYS A2596 -8.225 -3.207 -5.895 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.651 -3.121 -8.389 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.684 -5.476 -8.274 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -8.122 -4.952 -7.677 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -8.968 -5.283 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -10.454 -5.930 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.668 -7.076 -6.425 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -8.883 -7.723 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -10.375 -8.182 -7.263 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -9.191 -7.499 -8.359 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -9.040 -9.893 -8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -7.615 -9.202 -7.676 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -8.762 -9.864 -6.614 1.00 0.00 H new ATOM 547 N LEU A2597 -11.258 -3.339 -5.592 1.00 0.00 N ATOM 548 CA LEU A2597 -12.541 -3.234 -4.937 1.00 0.00 C ATOM 549 C LEU A2597 -13.121 -1.830 -5.098 1.00 0.00 C ATOM 550 O LEU A2597 -14.316 -1.676 -5.304 1.00 0.00 O ATOM 551 CB LEU A2597 -12.434 -3.613 -3.457 1.00 0.00 C ATOM 552 CG LEU A2597 -11.917 -5.030 -3.156 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.881 -5.281 -1.660 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.758 -6.088 -3.859 1.00 0.00 C ATOM 0 H LEU A2597 -10.463 -3.292 -4.955 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.221 -3.938 -5.416 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.775 -2.896 -2.966 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.419 -3.504 -3.003 1.00 0.00 H new ATOM 0 HG LEU A2597 -10.900 -5.102 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.512 -6.289 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.219 -4.557 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -12.886 -5.178 -1.250 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.366 -7.078 -3.626 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -13.791 -6.017 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.719 -5.927 -4.936 1.00 0.00 H new ATOM 566 N HIS A2598 -12.278 -0.814 -5.019 1.00 0.00 N ATOM 567 CA HIS A2598 -12.730 0.569 -5.173 1.00 0.00 C ATOM 568 C HIS A2598 -11.953 1.278 -6.261 1.00 0.00 C ATOM 569 O HIS A2598 -11.055 2.050 -5.967 1.00 0.00 O ATOM 570 CB HIS A2598 -12.583 1.393 -3.877 1.00 0.00 C ATOM 571 CG HIS A2598 -13.294 0.821 -2.687 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.588 1.143 -2.318 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.862 -0.071 -1.773 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.885 0.447 -1.220 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.869 -0.308 -0.845 1.00 0.00 N ATOM 0 H HIS A2598 -11.277 -0.915 -4.850 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.786 0.503 -5.434 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.523 1.486 -3.640 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.959 2.400 -4.058 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.885 -0.530 -1.763 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.833 0.495 -0.705 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.831 -0.935 -0.041 1.00 0.00 H new ATOM 583 N PRO A2599 -12.263 1.043 -7.537 1.00 0.00 N ATOM 584 CA PRO A2599 -11.572 1.731 -8.631 1.00 0.00 C ATOM 585 C PRO A2599 -12.035 3.189 -8.732 1.00 0.00 C ATOM 586 O PRO A2599 -11.469 3.997 -9.447 1.00 0.00 O ATOM 587 CB PRO A2599 -11.996 0.940 -9.873 1.00 0.00 C ATOM 588 CG PRO A2599 -13.312 0.340 -9.512 1.00 0.00 C ATOM 589 CD PRO A2599 -13.264 0.074 -8.035 1.00 0.00 C ATOM 0 HA PRO A2599 -10.491 1.767 -8.497 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.083 1.589 -10.744 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.265 0.170 -10.120 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.129 1.018 -9.758 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -13.484 -0.582 -10.068 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.237 0.228 -7.569 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -12.967 -0.953 -7.822 1.00 0.00 H new ATOM 597 N THR A2600 -13.048 3.497 -7.966 1.00 0.00 N ATOM 598 CA THR A2600 -13.682 4.785 -7.914 1.00 0.00 C ATOM 599 C THR A2600 -13.101 5.634 -6.778 1.00 0.00 C ATOM 600 O THR A2600 -13.717 6.610 -6.324 1.00 0.00 O ATOM 601 CB THR A2600 -15.154 4.533 -7.637 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.247 3.581 -6.543 1.00 0.00 O ATOM 603 CG2 THR A2600 -15.846 3.955 -8.865 1.00 0.00 C ATOM 0 H THR A2600 -13.473 2.822 -7.331 1.00 0.00 H new ATOM 0 HA THR A2600 -13.525 5.321 -8.850 1.00 0.00 H new ATOM 0 HB THR A2600 -15.642 5.474 -7.382 1.00 0.00 H new ATOM 0 HG1 THR A2600 -15.083 4.042 -5.694 1.00 0.00 H new ATOM 0 HG21 THR A2600 -16.899 3.783 -8.642 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.761 4.657 -9.695 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.374 3.011 -9.138 1.00 0.00 H new ATOM 611 N TYR A2601 -11.937 5.262 -6.322 1.00 0.00 N ATOM 612 CA TYR A2601 -11.306 5.924 -5.209 1.00 0.00 C ATOM 613 C TYR A2601 -10.384 7.051 -5.721 1.00 0.00 C ATOM 614 O TYR A2601 -10.275 7.279 -6.936 1.00 0.00 O ATOM 615 CB TYR A2601 -10.470 4.897 -4.416 1.00 0.00 C ATOM 616 CG TYR A2601 -9.080 4.666 -4.978 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.880 4.149 -6.247 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.975 5.007 -4.233 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.623 3.994 -6.755 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.715 4.850 -4.720 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.530 4.346 -5.986 1.00 0.00 C ATOM 622 OH TYR A2601 -5.255 4.208 -6.487 1.00 0.00 O ATOM 0 H TYR A2601 -11.396 4.490 -6.711 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.072 6.355 -4.564 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.382 5.236 -3.384 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.005 3.947 -4.395 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.733 3.864 -6.845 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.111 5.408 -3.240 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.483 3.599 -7.751 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.863 5.120 -4.114 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.606 4.503 -5.815 1.00 0.00 H new ATOM 632 N THR A2602 -9.765 7.752 -4.803 1.00 0.00 N ATOM 633 CA THR A2602 -8.723 8.686 -5.112 1.00 0.00 C ATOM 634 C THR A2602 -7.788 8.753 -3.892 1.00 0.00 C ATOM 635 O THR A2602 -8.180 8.339 -2.780 1.00 0.00 O ATOM 636 CB THR A2602 -9.272 10.101 -5.499 1.00 0.00 C ATOM 637 OG1 THR A2602 -8.216 10.909 -6.047 1.00 0.00 O ATOM 638 CG2 THR A2602 -9.857 10.821 -4.299 1.00 0.00 C ATOM 0 H THR A2602 -9.978 7.685 -3.808 1.00 0.00 H new ATOM 0 HA THR A2602 -8.179 8.345 -5.993 1.00 0.00 H new ATOM 0 HB THR A2602 -10.059 9.951 -6.238 1.00 0.00 H new ATOM 0 HG1 THR A2602 -8.570 11.791 -6.287 1.00 0.00 H new ATOM 0 HG21 THR A2602 -10.228 11.799 -4.606 1.00 0.00 H new ATOM 0 HG22 THR A2602 -10.679 10.234 -3.888 1.00 0.00 H new ATOM 0 HG23 THR A2602 -9.086 10.948 -3.539 1.00 0.00 H new ATOM 646 N VAL A2603 -6.569 9.206 -4.094 1.00 0.00 N ATOM 647 CA VAL A2603 -5.610 9.330 -3.008 1.00 0.00 C ATOM 648 C VAL A2603 -5.859 10.652 -2.299 1.00 0.00 C ATOM 649 O VAL A2603 -5.981 11.688 -2.954 1.00 0.00 O ATOM 650 CB VAL A2603 -4.144 9.268 -3.532 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.143 9.342 -2.385 1.00 0.00 C ATOM 652 CG2 VAL A2603 -3.923 8.001 -4.345 1.00 0.00 C ATOM 0 H VAL A2603 -6.214 9.497 -5.005 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.742 8.497 -2.318 1.00 0.00 H new ATOM 0 HB VAL A2603 -3.983 10.132 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.129 9.296 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.278 10.278 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.304 8.504 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -2.894 7.974 -4.703 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.113 7.129 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.604 7.991 -5.196 1.00 0.00 H new ATOM 662 N ASP A2604 -5.940 10.627 -0.983 1.00 0.00 N ATOM 663 CA ASP A2604 -6.288 11.838 -0.242 1.00 0.00 C ATOM 664 C ASP A2604 -5.075 12.701 0.034 1.00 0.00 C ATOM 665 O ASP A2604 -5.144 13.924 -0.055 1.00 0.00 O ATOM 666 CB ASP A2604 -7.031 11.517 1.060 1.00 0.00 C ATOM 667 CG ASP A2604 -7.489 12.773 1.784 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.342 13.502 1.236 1.00 0.00 O ATOM 669 OD2 ASP A2604 -7.059 13.019 2.927 1.00 0.00 O ATOM 0 H ASP A2604 -5.774 9.801 -0.408 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.963 12.408 -0.881 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.896 10.892 0.838 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.379 10.939 1.715 1.00 0.00 H new