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= -0.0152 K(o=0.097,f=-3.1!) USER MOD Set 1.2: A2600 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A2587 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.12) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A2589 LYS NZ :NH3+ 133:sc= -1.24 (180deg=-3.38!) USER MOD Single : A2596 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.05) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.569 -2.434 2.158 1.00 0.00 N ATOM 33 CA PRO A2565 4.260 -3.082 2.237 1.00 0.00 C ATOM 34 C PRO A2565 3.522 -2.683 3.524 1.00 0.00 C ATOM 35 O PRO A2565 2.292 -2.725 3.597 1.00 0.00 O ATOM 36 CB PRO A2565 4.592 -4.582 2.249 1.00 0.00 C ATOM 37 CG PRO A2565 6.028 -4.666 2.651 1.00 0.00 C ATOM 38 CD PRO A2565 6.676 -3.416 2.140 1.00 0.00 C ATOM 0 HA PRO A2565 3.604 -2.798 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A2565 3.955 -5.120 2.951 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.432 -5.028 1.267 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.126 -4.741 3.734 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.501 -5.552 2.226 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.504 -3.102 2.776 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.078 -3.552 1.136 1.00 0.00 H new ATOM 46 N ASP A2566 4.305 -2.235 4.496 1.00 0.00 N ATOM 47 CA ASP A2566 3.827 -1.864 5.824 1.00 0.00 C ATOM 48 C ASP A2566 3.357 -0.413 5.847 1.00 0.00 C ATOM 49 O ASP A2566 2.714 0.026 6.808 1.00 0.00 O ATOM 50 CB ASP A2566 4.961 -1.994 6.848 1.00 0.00 C ATOM 51 CG ASP A2566 5.708 -3.298 6.776 1.00 0.00 C ATOM 52 OD1 ASP A2566 5.196 -4.334 7.259 1.00 0.00 O ATOM 53 OD2 ASP A2566 6.849 -3.302 6.248 1.00 0.00 O ATOM 0 H ASP A2566 5.312 -2.116 4.382 1.00 0.00 H new ATOM 0 HA ASP A2566 3.001 -2.531 6.071 1.00 0.00 H new ATOM 0 HB2 ASP A2566 5.665 -1.176 6.700 1.00 0.00 H new ATOM 0 HB3 ASP A2566 4.546 -1.880 7.850 1.00 0.00 H new ATOM 58 N THR A2567 3.710 0.338 4.820 1.00 0.00 N ATOM 59 CA THR A2567 3.349 1.739 4.725 1.00 0.00 C ATOM 60 C THR A2567 1.830 1.876 4.551 1.00 0.00 C ATOM 61 O THR A2567 1.208 1.061 3.882 1.00 0.00 O ATOM 62 CB THR A2567 4.086 2.396 3.527 1.00 0.00 C ATOM 63 OG1 THR A2567 5.501 2.171 3.660 1.00 0.00 O ATOM 64 CG2 THR A2567 3.829 3.897 3.464 1.00 0.00 C ATOM 0 H THR A2567 4.255 -0.006 4.029 1.00 0.00 H new ATOM 0 HA THR A2567 3.647 2.247 5.642 1.00 0.00 H new ATOM 0 HB THR A2567 3.707 1.944 2.610 1.00 0.00 H new ATOM 0 HG1 THR A2567 5.970 2.583 2.905 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.361 4.322 2.613 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.760 4.079 3.351 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.182 4.365 4.383 1.00 0.00 H new ATOM 72 N ARG A2568 1.257 2.854 5.198 1.00 0.00 N ATOM 73 CA ARG A2568 -0.150 3.137 5.083 1.00 0.00 C ATOM 74 C ARG A2568 -0.351 4.137 3.965 1.00 0.00 C ATOM 75 O ARG A2568 0.445 5.085 3.814 1.00 0.00 O ATOM 76 CB ARG A2568 -0.708 3.692 6.394 1.00 0.00 C ATOM 77 CG ARG A2568 -0.603 2.747 7.583 1.00 0.00 C ATOM 78 CD ARG A2568 -1.392 1.473 7.345 1.00 0.00 C ATOM 79 NE ARG A2568 -1.303 0.540 8.475 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.322 -0.199 8.949 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.569 -0.008 8.507 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.098 -1.102 9.894 1.00 0.00 N ATOM 0 H ARG A2568 1.757 3.483 5.826 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.685 2.214 4.861 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.182 4.616 6.634 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.756 3.952 6.246 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.443 2.501 7.764 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -0.973 3.244 8.480 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.437 1.724 7.166 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -1.023 0.984 6.443 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.398 0.445 8.936 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.757 0.705 7.802 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -4.333 -0.575 8.875 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.155 -1.235 10.259 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -2.869 -1.664 10.255 1.00 0.00 H new ATOM 96 N ILE A2569 -1.375 3.932 3.177 1.00 0.00 N ATOM 97 CA ILE A2569 -1.644 4.778 2.038 1.00 0.00 C ATOM 98 C ILE A2569 -2.953 5.542 2.266 1.00 0.00 C ATOM 99 O ILE A2569 -4.034 4.943 2.259 1.00 0.00 O ATOM 100 CB ILE A2569 -1.775 3.943 0.734 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.567 2.997 0.553 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.907 4.870 -0.481 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.762 3.687 0.294 1.00 0.00 C ATOM 0 H ILE A2569 -2.047 3.175 3.305 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.810 5.471 1.929 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.674 3.333 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.470 2.382 1.448 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.776 2.322 -0.277 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.998 4.271 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.793 5.494 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.023 5.504 -0.552 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.545 2.937 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.693 4.279 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.003 4.340 1.133 1.00 0.00 H new ATOM 115 N PRO A2570 -2.866 6.853 2.517 1.00 0.00 N ATOM 116 CA PRO A2570 -4.041 7.699 2.738 1.00 0.00 C ATOM 117 C PRO A2570 -4.921 7.846 1.478 1.00 0.00 C ATOM 118 O PRO A2570 -4.580 8.573 0.526 1.00 0.00 O ATOM 119 CB PRO A2570 -3.452 9.052 3.161 1.00 0.00 C ATOM 120 CG PRO A2570 -2.041 9.039 2.679 1.00 0.00 C ATOM 121 CD PRO A2570 -1.608 7.606 2.636 1.00 0.00 C ATOM 0 HA PRO A2570 -4.707 7.268 3.485 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.010 9.878 2.720 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.496 9.179 4.243 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -1.966 9.495 1.692 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.400 9.616 3.346 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -0.948 7.415 1.790 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.061 7.328 3.537 1.00 0.00 H new ATOM 129 N VAL A2571 -6.037 7.151 1.472 1.00 0.00 N ATOM 130 CA VAL A2571 -6.952 7.139 0.341 1.00 0.00 C ATOM 131 C VAL A2571 -8.375 7.438 0.789 1.00 0.00 C ATOM 132 O VAL A2571 -8.676 7.419 1.984 1.00 0.00 O ATOM 133 CB VAL A2571 -6.929 5.786 -0.432 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.578 5.547 -1.077 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.283 4.623 0.483 1.00 0.00 C ATOM 0 H VAL A2571 -6.342 6.573 2.255 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.609 7.920 -0.337 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.682 5.849 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.592 4.596 -1.609 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.362 6.352 -1.779 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.807 5.521 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.259 3.693 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.562 4.569 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.282 4.773 0.892 1.00 0.00 H new ATOM 145 N ILE A2572 -9.234 7.712 -0.157 1.00 0.00 N ATOM 146 CA ILE A2572 -10.616 7.998 0.123 1.00 0.00 C ATOM 147 C ILE A2572 -11.478 7.484 -1.036 1.00 0.00 C ATOM 148 O ILE A2572 -11.040 7.491 -2.197 1.00 0.00 O ATOM 149 CB ILE A2572 -10.849 9.537 0.358 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.329 9.841 0.676 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.354 10.364 -0.824 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.656 11.314 0.847 1.00 0.00 C ATOM 0 H ILE A2572 -8.994 7.743 -1.148 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.903 7.489 1.043 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.260 9.826 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.948 9.437 -0.125 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.605 9.314 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.531 11.421 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.287 10.195 -0.965 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.891 10.068 -1.725 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.717 11.428 1.068 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.069 11.724 1.669 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.417 11.849 -0.072 1.00 0.00 H new ATOM 164 N ASN A2573 -12.658 6.996 -0.741 1.00 0.00 N ATOM 165 CA ASN A2573 -13.537 6.515 -1.789 1.00 0.00 C ATOM 166 C ASN A2573 -14.581 7.556 -2.084 1.00 0.00 C ATOM 167 O ASN A2573 -15.316 7.962 -1.183 1.00 0.00 O ATOM 168 CB ASN A2573 -14.252 5.224 -1.417 1.00 0.00 C ATOM 169 CG ASN A2573 -14.903 4.612 -2.657 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.421 4.779 -3.770 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.998 3.954 -2.501 1.00 0.00 N ATOM 0 H ASN A2573 -13.033 6.920 0.205 1.00 0.00 H new ATOM 0 HA ASN A2573 -12.909 6.317 -2.657 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.544 4.519 -0.982 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.010 5.423 -0.659 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.478 3.563 -3.312 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.386 3.824 -1.567 1.00 0.00 H new ATOM 178 N LEU A2574 -14.697 7.939 -3.332 1.00 0.00 N ATOM 179 CA LEU A2574 -15.629 8.985 -3.733 1.00 0.00 C ATOM 180 C LEU A2574 -17.075 8.491 -3.742 1.00 0.00 C ATOM 181 O LEU A2574 -18.015 9.285 -3.667 1.00 0.00 O ATOM 182 CB LEU A2574 -15.236 9.543 -5.098 1.00 0.00 C ATOM 183 CG LEU A2574 -13.866 10.219 -5.170 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.544 10.610 -6.594 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.828 11.447 -4.276 1.00 0.00 C ATOM 0 H LEU A2574 -14.156 7.543 -4.100 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.571 9.784 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.257 8.729 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.993 10.264 -5.407 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.117 9.508 -4.821 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.566 11.090 -6.627 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.533 9.719 -7.222 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.301 11.303 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.845 11.914 -4.341 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.589 12.157 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -14.022 11.152 -3.245 1.00 0.00 H new ATOM 197 N GLU A2575 -17.248 7.180 -3.805 1.00 0.00 N ATOM 198 CA GLU A2575 -18.580 6.576 -3.809 1.00 0.00 C ATOM 199 C GLU A2575 -19.129 6.408 -2.397 1.00 0.00 C ATOM 200 O GLU A2575 -20.284 6.076 -2.214 1.00 0.00 O ATOM 201 CB GLU A2575 -18.565 5.230 -4.527 1.00 0.00 C ATOM 202 CG GLU A2575 -18.179 5.321 -5.988 1.00 0.00 C ATOM 203 CD GLU A2575 -19.139 6.156 -6.794 1.00 0.00 C ATOM 204 OE1 GLU A2575 -20.117 5.617 -7.312 1.00 0.00 O ATOM 205 OE2 GLU A2575 -18.928 7.380 -6.916 1.00 0.00 O ATOM 0 H GLU A2575 -16.482 6.508 -3.854 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.239 7.257 -4.348 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -17.868 4.565 -4.017 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.553 4.776 -4.449 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.178 5.746 -6.069 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.134 4.317 -6.411 1.00 0.00 H new ATOM 212 N ASP A2576 -18.301 6.611 -1.414 1.00 0.00 N ATOM 213 CA ASP A2576 -18.738 6.453 -0.030 1.00 0.00 C ATOM 214 C ASP A2576 -18.540 7.720 0.739 1.00 0.00 C ATOM 215 O ASP A2576 -19.436 8.204 1.420 1.00 0.00 O ATOM 216 CB ASP A2576 -17.963 5.341 0.693 1.00 0.00 C ATOM 217 CG ASP A2576 -18.320 3.936 0.291 1.00 0.00 C ATOM 218 OD1 ASP A2576 -17.836 3.464 -0.727 1.00 0.00 O ATOM 219 OD2 ASP A2576 -19.045 3.257 1.037 1.00 0.00 O ATOM 0 H ASP A2576 -17.325 6.884 -1.528 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.795 6.191 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -16.898 5.491 0.517 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.127 5.446 1.765 1.00 0.00 H new ATOM 224 N GLY A2577 -17.369 8.277 0.593 1.00 0.00 N ATOM 225 CA GLY A2577 -16.972 9.381 1.408 1.00 0.00 C ATOM 226 C GLY A2577 -16.073 8.875 2.509 1.00 0.00 C ATOM 227 O GLY A2577 -15.678 9.618 3.408 1.00 0.00 O ATOM 0 H GLY A2577 -16.672 7.978 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.450 10.125 0.807 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -17.848 9.871 1.832 1.00 0.00 H new ATOM 231 N THR A2578 -15.741 7.588 2.423 1.00 0.00 N ATOM 232 CA THR A2578 -14.931 6.934 3.350 1.00 0.00 C ATOM 233 C THR A2578 -13.493 7.338 3.129 1.00 0.00 C ATOM 234 O THR A2578 -12.947 7.130 2.042 1.00 0.00 O ATOM 235 CB THR A2578 -15.106 5.446 3.141 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.461 5.077 3.439 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.155 4.676 3.974 1.00 0.00 C ATOM 0 H THR A2578 -16.059 6.984 1.665 1.00 0.00 H new ATOM 0 HA THR A2578 -15.206 7.199 4.371 1.00 0.00 H new ATOM 0 HB THR A2578 -14.893 5.209 2.099 1.00 0.00 H new ATOM 0 HG1 THR A2578 -16.575 4.113 3.302 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.303 3.610 3.804 1.00 0.00 H new ATOM 0 HG22 THR A2578 -13.134 4.948 3.706 1.00 0.00 H new ATOM 0 HG23 THR A2578 -14.327 4.903 5.026 1.00 0.00 H new ATOM 245 N ARG A2579 -12.907 7.901 4.136 1.00 0.00 N ATOM 246 CA ARG A2579 -11.584 8.436 4.049 1.00 0.00 C ATOM 247 C ARG A2579 -10.714 7.751 5.052 1.00 0.00 C ATOM 248 O ARG A2579 -11.022 7.731 6.244 1.00 0.00 O ATOM 249 CB ARG A2579 -11.633 9.921 4.302 1.00 0.00 C ATOM 250 CG ARG A2579 -10.324 10.649 4.131 1.00 0.00 C ATOM 251 CD ARG A2579 -10.504 12.108 4.464 1.00 0.00 C ATOM 252 NE ARG A2579 -10.875 12.290 5.874 1.00 0.00 N ATOM 253 CZ ARG A2579 -11.793 13.155 6.336 1.00 0.00 C ATOM 254 NH1 ARG A2579 -12.450 13.969 5.504 1.00 0.00 N ATOM 255 NH2 ARG A2579 -12.049 13.202 7.629 1.00 0.00 N ATOM 0 H ARG A2579 -13.338 8.004 5.055 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.169 8.268 3.055 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.366 10.363 3.628 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.992 10.088 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.566 10.210 4.779 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.969 10.542 3.106 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -9.580 12.648 4.256 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -11.275 12.537 3.824 1.00 0.00 H new ATOM 0 HE ARG A2579 -10.394 11.710 6.561 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -12.257 13.939 4.503 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -13.144 14.620 5.870 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -11.551 12.584 8.270 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -12.745 13.856 7.988 1.00 0.00 H new ATOM 269 N LEU A2580 -9.639 7.225 4.578 1.00 0.00 N ATOM 270 CA LEU A2580 -8.777 6.413 5.356 1.00 0.00 C ATOM 271 C LEU A2580 -7.367 6.949 5.286 1.00 0.00 C ATOM 272 O LEU A2580 -6.661 6.756 4.291 1.00 0.00 O ATOM 273 CB LEU A2580 -8.847 5.004 4.795 1.00 0.00 C ATOM 274 CG LEU A2580 -10.263 4.442 4.658 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.255 3.172 3.867 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.911 4.233 6.019 1.00 0.00 C ATOM 0 H LEU A2580 -9.329 7.352 3.615 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.080 6.413 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.370 4.993 3.815 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.268 4.342 5.439 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.862 5.176 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.272 2.790 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.856 3.366 2.871 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.631 2.434 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.916 3.833 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.315 3.531 6.602 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.967 5.186 6.546 1.00 0.00 H new ATOM 288 N VAL A2581 -6.991 7.673 6.297 1.00 0.00 N ATOM 289 CA VAL A2581 -5.665 8.233 6.410 1.00 0.00 C ATOM 290 C VAL A2581 -5.099 7.794 7.746 1.00 0.00 C ATOM 291 O VAL A2581 -5.867 7.335 8.597 1.00 0.00 O ATOM 292 CB VAL A2581 -5.672 9.802 6.314 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.281 10.265 4.998 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.414 10.444 7.485 1.00 0.00 C ATOM 0 H VAL A2581 -7.602 7.899 7.082 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.052 7.875 5.583 1.00 0.00 H new ATOM 0 HB VAL A2581 -4.632 10.125 6.358 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.274 11.354 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.698 9.867 4.167 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.308 9.906 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.394 11.529 7.378 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.448 10.099 7.493 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -5.930 10.163 8.420 1.00 0.00 H new ATOM 304 N GLY A2582 -3.796 7.862 7.918 1.00 0.00 N ATOM 305 CA GLY A2582 -3.206 7.514 9.194 1.00 0.00 C ATOM 306 C GLY A2582 -3.287 6.037 9.476 1.00 0.00 C ATOM 307 O GLY A2582 -2.841 5.219 8.673 1.00 0.00 O ATOM 0 H GLY A2582 -3.131 8.151 7.200 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.162 7.828 9.207 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.713 8.062 9.988 1.00 0.00 H new ATOM 311 N GLU A2583 -3.912 5.690 10.577 1.00 0.00 N ATOM 312 CA GLU A2583 -4.027 4.294 10.970 1.00 0.00 C ATOM 313 C GLU A2583 -5.187 3.631 10.239 1.00 0.00 C ATOM 314 O GLU A2583 -5.212 2.410 10.060 1.00 0.00 O ATOM 315 CB GLU A2583 -4.212 4.154 12.487 1.00 0.00 C ATOM 316 CG GLU A2583 -5.456 4.840 13.030 1.00 0.00 C ATOM 317 CD GLU A2583 -5.686 4.581 14.482 1.00 0.00 C ATOM 318 OE1 GLU A2583 -6.253 3.532 14.825 1.00 0.00 O ATOM 319 OE2 GLU A2583 -5.319 5.422 15.316 1.00 0.00 O ATOM 0 H GLU A2583 -4.350 6.350 11.220 1.00 0.00 H new ATOM 0 HA GLU A2583 -3.099 3.794 10.694 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.255 3.095 12.740 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.336 4.566 12.988 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -5.370 5.915 12.869 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -6.325 4.502 12.465 1.00 0.00 H new ATOM 326 N ASP A2584 -6.137 4.446 9.789 1.00 0.00 N ATOM 327 CA ASP A2584 -7.319 3.930 9.094 1.00 0.00 C ATOM 328 C ASP A2584 -6.982 3.598 7.673 1.00 0.00 C ATOM 329 O ASP A2584 -7.744 2.931 6.987 1.00 0.00 O ATOM 330 CB ASP A2584 -8.480 4.931 9.089 1.00 0.00 C ATOM 331 CG ASP A2584 -9.059 5.236 10.445 1.00 0.00 C ATOM 332 OD1 ASP A2584 -9.764 4.385 11.008 1.00 0.00 O ATOM 333 OD2 ASP A2584 -8.866 6.372 10.952 1.00 0.00 O ATOM 0 H ASP A2584 -6.115 5.461 9.891 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.631 3.038 9.638 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.136 5.862 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.273 4.542 8.450 1.00 0.00 H new ATOM 338 N ALA A2585 -5.853 4.086 7.230 1.00 0.00 N ATOM 339 CA ALA A2585 -5.400 3.871 5.889 1.00 0.00 C ATOM 340 C ALA A2585 -4.974 2.425 5.712 1.00 0.00 C ATOM 341 O ALA A2585 -4.367 1.837 6.619 1.00 0.00 O ATOM 342 CB ALA A2585 -4.246 4.804 5.597 1.00 0.00 C ATOM 0 H ALA A2585 -5.220 4.648 7.798 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.211 4.078 5.190 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -3.898 4.644 4.577 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.576 5.837 5.710 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.432 4.605 6.294 1.00 0.00 H new ATOM 348 N PRO A2586 -5.313 1.816 4.574 1.00 0.00 N ATOM 349 CA PRO A2586 -4.897 0.458 4.271 1.00 0.00 C ATOM 350 C PRO A2586 -3.390 0.412 4.040 1.00 0.00 C ATOM 351 O PRO A2586 -2.744 1.457 3.798 1.00 0.00 O ATOM 352 CB PRO A2586 -5.651 0.120 2.974 1.00 0.00 C ATOM 353 CG PRO A2586 -5.948 1.439 2.352 1.00 0.00 C ATOM 354 CD PRO A2586 -6.131 2.401 3.491 1.00 0.00 C ATOM 0 HA PRO A2586 -5.113 -0.244 5.076 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -5.045 -0.501 2.314 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.566 -0.435 3.182 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.133 1.756 1.701 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.846 1.387 1.737 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.791 3.403 3.228 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.178 2.485 3.780 1.00 0.00 H new ATOM 362 N LYS A2587 -2.819 -0.758 4.120 1.00 0.00 N ATOM 363 CA LYS A2587 -1.408 -0.890 3.919 1.00 0.00 C ATOM 364 C LYS A2587 -1.130 -0.898 2.436 1.00 0.00 C ATOM 365 O LYS A2587 -2.008 -1.215 1.642 1.00 0.00 O ATOM 366 CB LYS A2587 -0.878 -2.175 4.561 1.00 0.00 C ATOM 367 CG LYS A2587 -1.187 -2.296 6.048 1.00 0.00 C ATOM 368 CD LYS A2587 -0.635 -3.585 6.657 1.00 0.00 C ATOM 369 CE LYS A2587 -1.217 -4.854 6.017 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.691 -4.941 6.141 1.00 0.00 N ATOM 0 H LYS A2587 -3.309 -1.629 4.322 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.899 -0.050 4.392 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.305 -3.032 4.040 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.202 -2.221 4.419 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.766 -1.440 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.266 -2.261 6.196 1.00 0.00 H new ATOM 0 HD2 LYS A2587 0.449 -3.595 6.548 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.848 -3.594 7.726 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -0.944 -4.880 4.962 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -0.766 -5.730 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -3.019 -5.848 5.752 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -2.959 -4.877 7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -3.130 -4.159 5.614 1.00 0.00 H new ATOM 384 N ASN A2588 0.070 -0.561 2.076 1.00 0.00 N ATOM 385 CA ASN A2588 0.519 -0.516 0.684 1.00 0.00 C ATOM 386 C ASN A2588 0.356 -1.880 0.018 1.00 0.00 C ATOM 387 O ASN A2588 0.101 -1.987 -1.173 1.00 0.00 O ATOM 388 CB ASN A2588 1.976 -0.073 0.651 1.00 0.00 C ATOM 389 CG ASN A2588 2.557 0.072 -0.742 1.00 0.00 C ATOM 390 OD1 ASN A2588 1.869 0.406 -1.699 1.00 0.00 O ATOM 391 ND2 ASN A2588 3.832 -0.175 -0.850 1.00 0.00 N ATOM 0 H ASN A2588 0.795 -0.300 2.744 1.00 0.00 H new ATOM 0 HA ASN A2588 -0.092 0.196 0.129 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.064 0.882 1.169 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.575 -0.794 1.208 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.292 -0.093 -1.756 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.369 -0.451 -0.028 1.00 0.00 H new ATOM 398 N LYS A2589 0.464 -2.924 0.807 1.00 0.00 N ATOM 399 CA LYS A2589 0.266 -4.257 0.290 1.00 0.00 C ATOM 400 C LYS A2589 -1.232 -4.562 0.070 1.00 0.00 C ATOM 401 O LYS A2589 -1.583 -5.355 -0.780 1.00 0.00 O ATOM 402 CB LYS A2589 0.909 -5.300 1.196 1.00 0.00 C ATOM 403 CG LYS A2589 0.423 -5.278 2.626 1.00 0.00 C ATOM 404 CD LYS A2589 0.950 -6.456 3.448 1.00 0.00 C ATOM 405 CE LYS A2589 0.310 -7.802 3.058 1.00 0.00 C ATOM 406 NZ LYS A2589 0.823 -8.401 1.787 1.00 0.00 N ATOM 0 H LYS A2589 0.686 -2.877 1.801 1.00 0.00 H new ATOM 0 HA LYS A2589 0.758 -4.307 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A2589 0.722 -6.289 0.778 1.00 0.00 H new ATOM 0 HB3 LYS A2589 1.989 -5.150 1.191 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.733 -4.345 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.667 -5.293 2.635 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.030 -6.525 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A2589 0.764 -6.265 4.505 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.472 -8.513 3.868 1.00 0.00 H new ATOM 0 HE3 LYS A2589 -0.767 -7.662 2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 1.036 -9.408 1.939 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 0.102 -8.308 1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 1.689 -7.905 1.494 1.00 0.00 H new ATOM 420 N ASP A2590 -2.105 -3.900 0.830 1.00 0.00 N ATOM 421 CA ASP A2590 -3.568 -4.106 0.690 1.00 0.00 C ATOM 422 C ASP A2590 -4.082 -3.241 -0.409 1.00 0.00 C ATOM 423 O ASP A2590 -5.140 -3.502 -0.972 1.00 0.00 O ATOM 424 CB ASP A2590 -4.372 -3.691 1.926 1.00 0.00 C ATOM 425 CG ASP A2590 -3.928 -4.266 3.230 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.829 -5.494 3.363 1.00 0.00 O ATOM 427 OD2 ASP A2590 -3.667 -3.480 4.171 1.00 0.00 O ATOM 0 H ASP A2590 -1.840 -3.222 1.544 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.693 -5.174 0.513 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -4.342 -2.604 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.413 -3.971 1.766 1.00 0.00 H new ATOM 432 N LEU A2591 -3.329 -2.200 -0.683 1.00 0.00 N ATOM 433 CA LEU A2591 -3.665 -1.163 -1.631 1.00 0.00 C ATOM 434 C LEU A2591 -4.139 -1.743 -2.952 1.00 0.00 C ATOM 435 O LEU A2591 -5.175 -1.361 -3.447 1.00 0.00 O ATOM 436 CB LEU A2591 -2.445 -0.282 -1.854 1.00 0.00 C ATOM 437 CG LEU A2591 -2.654 0.969 -2.692 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.572 1.939 -1.971 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.325 1.619 -3.043 1.00 0.00 C ATOM 0 H LEU A2591 -2.427 -2.047 -0.232 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.485 -0.572 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -2.060 0.020 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.671 -0.885 -2.329 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.133 0.682 -3.628 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.713 2.830 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.537 1.464 -1.795 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.127 2.221 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.504 2.512 -3.643 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.802 1.896 -2.127 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.715 0.916 -3.611 1.00 0.00 H new ATOM 451 N VAL A2592 -3.407 -2.702 -3.473 1.00 0.00 N ATOM 452 CA VAL A2592 -3.757 -3.342 -4.737 1.00 0.00 C ATOM 453 C VAL A2592 -5.159 -3.979 -4.698 1.00 0.00 C ATOM 454 O VAL A2592 -5.937 -3.842 -5.643 1.00 0.00 O ATOM 455 CB VAL A2592 -2.696 -4.388 -5.177 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.386 -3.700 -5.534 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.460 -5.415 -4.079 1.00 0.00 C ATOM 0 H VAL A2592 -2.556 -3.064 -3.042 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.773 -2.547 -5.483 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.077 -4.904 -6.059 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.654 -4.447 -5.840 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.554 -3.000 -6.353 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.011 -3.159 -4.665 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.713 -6.137 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -2.104 -4.911 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.393 -5.933 -3.859 1.00 0.00 H new ATOM 467 N GLU A2593 -5.499 -4.615 -3.587 1.00 0.00 N ATOM 468 CA GLU A2593 -6.781 -5.243 -3.436 1.00 0.00 C ATOM 469 C GLU A2593 -7.864 -4.204 -3.247 1.00 0.00 C ATOM 470 O GLU A2593 -8.945 -4.305 -3.817 1.00 0.00 O ATOM 471 CB GLU A2593 -6.770 -6.213 -2.271 1.00 0.00 C ATOM 472 CG GLU A2593 -5.886 -7.432 -2.479 1.00 0.00 C ATOM 473 CD GLU A2593 -6.254 -8.206 -3.727 1.00 0.00 C ATOM 474 OE1 GLU A2593 -7.277 -8.928 -3.726 1.00 0.00 O ATOM 475 OE2 GLU A2593 -5.526 -8.113 -4.734 1.00 0.00 O ATOM 0 H GLU A2593 -4.889 -4.704 -2.774 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.994 -5.803 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.436 -5.685 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.790 -6.547 -2.082 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.845 -7.115 -2.545 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.966 -8.087 -1.612 1.00 0.00 H new ATOM 482 N TRP A2594 -7.543 -3.186 -2.482 1.00 0.00 N ATOM 483 CA TRP A2594 -8.478 -2.117 -2.180 1.00 0.00 C ATOM 484 C TRP A2594 -8.806 -1.340 -3.473 1.00 0.00 C ATOM 485 O TRP A2594 -9.934 -0.947 -3.700 1.00 0.00 O ATOM 486 CB TRP A2594 -7.872 -1.183 -1.116 1.00 0.00 C ATOM 487 CG TRP A2594 -8.892 -0.418 -0.327 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.508 -0.845 0.814 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.414 0.893 -0.595 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.380 0.105 1.270 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.346 1.181 0.426 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.194 1.851 -1.591 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.052 2.379 0.476 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.895 3.032 -1.529 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.812 3.289 -0.507 1.00 0.00 C ATOM 0 H TRP A2594 -6.626 -3.072 -2.049 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.403 -2.536 -1.783 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.266 -1.775 -0.430 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.202 -0.477 -1.606 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.332 -1.798 1.290 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.961 0.024 2.104 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.490 1.667 -2.389 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.763 2.579 1.264 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.733 3.781 -2.290 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.342 4.230 -0.497 1.00 0.00 H new ATOM 506 N LEU A2595 -7.809 -1.190 -4.328 1.00 0.00 N ATOM 507 CA LEU A2595 -7.954 -0.493 -5.622 1.00 0.00 C ATOM 508 C LEU A2595 -8.746 -1.324 -6.603 1.00 0.00 C ATOM 509 O LEU A2595 -9.486 -0.796 -7.433 1.00 0.00 O ATOM 510 CB LEU A2595 -6.577 -0.186 -6.205 1.00 0.00 C ATOM 511 CG LEU A2595 -5.913 1.135 -5.793 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.130 1.458 -4.320 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.427 1.069 -6.104 1.00 0.00 C ATOM 0 H LEU A2595 -6.868 -1.544 -4.156 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.493 0.438 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.906 -1.000 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.662 -0.196 -7.292 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.380 1.937 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.641 2.402 -4.079 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.198 1.541 -4.119 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.706 0.663 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -3.952 2.006 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -3.976 0.246 -5.550 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.286 0.908 -7.173 1.00 0.00 H new ATOM 525 N LYS A2596 -8.569 -2.614 -6.515 1.00 0.00 N ATOM 526 CA LYS A2596 -9.252 -3.557 -7.294 1.00 0.00 C ATOM 527 C LYS A2596 -10.747 -3.533 -6.928 1.00 0.00 C ATOM 528 O LYS A2596 -11.620 -3.647 -7.790 1.00 0.00 O ATOM 529 CB LYS A2596 -8.604 -4.874 -6.958 1.00 0.00 C ATOM 530 CG LYS A2596 -9.103 -6.035 -7.702 1.00 0.00 C ATOM 531 CD LYS A2596 -8.334 -7.299 -7.317 1.00 0.00 C ATOM 532 CE LYS A2596 -6.862 -7.219 -7.736 1.00 0.00 C ATOM 533 NZ LYS A2596 -6.079 -8.380 -7.272 1.00 0.00 N ATOM 0 H LYS A2596 -7.909 -3.035 -5.861 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.196 -3.361 -8.365 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -7.532 -4.786 -7.134 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -8.738 -5.063 -5.893 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -10.165 -6.174 -7.498 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -9.004 -5.856 -8.773 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -8.398 -7.449 -6.239 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -8.799 -8.165 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -6.800 -7.154 -8.822 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -6.423 -6.305 -7.336 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -5.128 -8.348 -7.692 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.000 -8.354 -6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -6.556 -9.258 -7.561 1.00 0.00 H new ATOM 547 N LEU A2597 -11.022 -3.342 -5.652 1.00 0.00 N ATOM 548 CA LEU A2597 -12.386 -3.246 -5.173 1.00 0.00 C ATOM 549 C LEU A2597 -12.958 -1.850 -5.409 1.00 0.00 C ATOM 550 O LEU A2597 -14.157 -1.699 -5.634 1.00 0.00 O ATOM 551 CB LEU A2597 -12.478 -3.595 -3.685 1.00 0.00 C ATOM 552 CG LEU A2597 -12.087 -5.020 -3.285 1.00 0.00 C ATOM 553 CD1 LEU A2597 -12.205 -5.189 -1.781 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.957 -6.045 -4.007 1.00 0.00 C ATOM 0 H LEU A2597 -10.313 -3.250 -4.925 1.00 0.00 H new ATOM 0 HA LEU A2597 -12.975 -3.967 -5.739 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.844 -2.901 -3.133 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.503 -3.419 -3.358 1.00 0.00 H new ATOM 0 HG LEU A2597 -11.051 -5.190 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -11.925 -6.206 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -11.542 -4.482 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -13.233 -5.000 -1.473 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -12.660 -7.050 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -14.003 -5.882 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.830 -5.936 -5.084 1.00 0.00 H new ATOM 566 N HIS A2598 -12.112 -0.837 -5.363 1.00 0.00 N ATOM 567 CA HIS A2598 -12.565 0.539 -5.531 1.00 0.00 C ATOM 568 C HIS A2598 -11.783 1.287 -6.606 1.00 0.00 C ATOM 569 O HIS A2598 -10.853 2.010 -6.300 1.00 0.00 O ATOM 570 CB HIS A2598 -12.476 1.347 -4.216 1.00 0.00 C ATOM 571 CG HIS A2598 -13.274 0.785 -3.073 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.624 1.003 -2.893 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.886 -0.003 -2.043 1.00 0.00 C ATOM 574 CE1 HIS A2598 -15.003 0.359 -1.789 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.985 -0.271 -1.231 1.00 0.00 N ATOM 0 H HIS A2598 -11.108 -0.937 -5.211 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.607 0.457 -5.840 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.430 1.409 -3.914 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.813 2.366 -4.409 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.883 -0.366 -1.877 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -16.011 0.353 -1.401 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -14.001 -0.836 -0.382 1.00 0.00 H new ATOM 583 N PRO A2599 -12.136 1.128 -7.892 1.00 0.00 N ATOM 584 CA PRO A2599 -11.512 1.909 -8.966 1.00 0.00 C ATOM 585 C PRO A2599 -12.051 3.346 -8.945 1.00 0.00 C ATOM 586 O PRO A2599 -11.513 4.259 -9.573 1.00 0.00 O ATOM 587 CB PRO A2599 -11.953 1.182 -10.242 1.00 0.00 C ATOM 588 CG PRO A2599 -13.224 0.498 -9.873 1.00 0.00 C ATOM 589 CD PRO A2599 -13.115 0.159 -8.410 1.00 0.00 C ATOM 0 HA PRO A2599 -10.428 1.981 -8.878 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -12.105 1.882 -11.063 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -11.199 0.466 -10.569 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.081 1.145 -10.059 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -13.368 -0.402 -10.471 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.076 0.254 -7.905 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -12.778 -0.867 -8.262 1.00 0.00 H new ATOM 597 N THR A2600 -13.084 3.520 -8.161 1.00 0.00 N ATOM 598 CA THR A2600 -13.788 4.750 -7.984 1.00 0.00 C ATOM 599 C THR A2600 -13.213 5.549 -6.811 1.00 0.00 C ATOM 600 O THR A2600 -13.801 6.537 -6.349 1.00 0.00 O ATOM 601 CB THR A2600 -15.245 4.400 -7.704 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.277 3.244 -6.817 1.00 0.00 O ATOM 603 CG2 THR A2600 -15.981 4.072 -8.990 1.00 0.00 C ATOM 0 H THR A2600 -13.472 2.761 -7.601 1.00 0.00 H new ATOM 0 HA THR A2600 -13.693 5.366 -8.878 1.00 0.00 H new ATOM 0 HB THR A2600 -15.737 5.255 -7.241 1.00 0.00 H new ATOM 0 HG1 THR A2600 -16.208 3.005 -6.624 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.018 3.826 -8.763 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.950 4.934 -9.657 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.504 3.221 -9.475 1.00 0.00 H new ATOM 611 N TYR A2601 -12.069 5.123 -6.331 1.00 0.00 N ATOM 612 CA TYR A2601 -11.448 5.786 -5.219 1.00 0.00 C ATOM 613 C TYR A2601 -10.569 6.919 -5.748 1.00 0.00 C ATOM 614 O TYR A2601 -10.421 7.087 -6.971 1.00 0.00 O ATOM 615 CB TYR A2601 -10.571 4.785 -4.423 1.00 0.00 C ATOM 616 CG TYR A2601 -9.128 4.663 -4.909 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.813 4.176 -6.170 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.093 5.079 -4.095 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.512 4.122 -6.602 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.794 5.020 -4.509 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.498 4.546 -5.764 1.00 0.00 C ATOM 622 OH TYR A2601 -5.187 4.516 -6.193 1.00 0.00 O ATOM 0 H TYR A2601 -11.553 4.322 -6.695 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.218 6.184 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.562 5.087 -3.376 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.038 3.801 -4.467 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.604 3.834 -6.821 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.316 5.459 -3.109 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.282 3.751 -7.590 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -6.001 5.345 -3.852 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.602 4.849 -5.481 1.00 0.00 H new ATOM 632 N THR A2602 -9.996 7.671 -4.863 1.00 0.00 N ATOM 633 CA THR A2602 -9.009 8.624 -5.220 1.00 0.00 C ATOM 634 C THR A2602 -8.024 8.691 -4.059 1.00 0.00 C ATOM 635 O THR A2602 -8.368 8.305 -2.921 1.00 0.00 O ATOM 636 CB THR A2602 -9.617 10.026 -5.553 1.00 0.00 C ATOM 637 OG1 THR A2602 -8.636 10.872 -6.185 1.00 0.00 O ATOM 638 CG2 THR A2602 -10.133 10.724 -4.314 1.00 0.00 C ATOM 0 H THR A2602 -10.206 7.636 -3.865 1.00 0.00 H new ATOM 0 HA THR A2602 -8.507 8.317 -6.137 1.00 0.00 H new ATOM 0 HB THR A2602 -10.451 9.852 -6.233 1.00 0.00 H new ATOM 0 HG1 THR A2602 -9.037 11.743 -6.387 1.00 0.00 H new ATOM 0 HG21 THR A2602 -10.547 11.694 -4.589 1.00 0.00 H new ATOM 0 HG22 THR A2602 -10.910 10.116 -3.851 1.00 0.00 H new ATOM 0 HG23 THR A2602 -9.314 10.866 -3.609 1.00 0.00 H new ATOM 646 N VAL A2603 -6.815 9.071 -4.326 1.00 0.00 N ATOM 647 CA VAL A2603 -5.842 9.181 -3.276 1.00 0.00 C ATOM 648 C VAL A2603 -6.106 10.469 -2.517 1.00 0.00 C ATOM 649 O VAL A2603 -6.148 11.552 -3.115 1.00 0.00 O ATOM 650 CB VAL A2603 -4.397 9.149 -3.827 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.381 9.169 -2.693 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.195 7.919 -4.696 1.00 0.00 C ATOM 0 H VAL A2603 -6.475 9.311 -5.257 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.936 8.326 -2.607 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.243 10.040 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.373 9.146 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.511 10.077 -2.104 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.531 8.298 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.174 7.907 -5.078 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.371 7.022 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.895 7.945 -5.531 1.00 0.00 H new ATOM 662 N ASP A2604 -6.299 10.344 -1.221 1.00 0.00 N ATOM 663 CA ASP A2604 -6.665 11.474 -0.378 1.00 0.00 C ATOM 664 C ASP A2604 -5.529 12.447 -0.285 1.00 0.00 C ATOM 665 O ASP A2604 -5.707 13.654 -0.468 1.00 0.00 O ATOM 666 CB ASP A2604 -7.070 11.016 1.020 1.00 0.00 C ATOM 667 CG ASP A2604 -7.410 12.177 1.924 1.00 0.00 C ATOM 668 OD1 ASP A2604 -8.566 12.640 1.907 1.00 0.00 O ATOM 669 OD2 ASP A2604 -6.526 12.649 2.659 1.00 0.00 O ATOM 0 H ASP A2604 -6.208 9.461 -0.719 1.00 0.00 H new ATOM 0 HA ASP A2604 -7.522 11.966 -0.838 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.930 10.350 0.948 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -6.257 10.440 1.462 1.00 0.00 H new