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= -0.113 K(o=1.2,f=-12!) USER MOD Set 1.2: A2598 HIS : no HE2:sc= 1.28 K(o=1.2,f=-7.5!) USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 2:sc= 0.761 USER MOD Single : A2587 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A2589 LYS NZ :NH3+ 138:sc= 1.13 (180deg=0.42) USER MOD Single : A2596 LYS NZ :NH3+ 163:sc= -0.116 (180deg=-0.408) USER MOD Single : A2600 THR OG1 : rot 177:sc= 0.0441 USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.631 -2.508 2.562 1.00 0.00 N ATOM 33 CA PRO A2565 4.310 -3.145 2.755 1.00 0.00 C ATOM 34 C PRO A2565 3.562 -2.565 3.969 1.00 0.00 C ATOM 35 O PRO A2565 2.330 -2.493 3.978 1.00 0.00 O ATOM 36 CB PRO A2565 4.658 -4.620 2.988 1.00 0.00 C ATOM 37 CG PRO A2565 5.986 -4.801 2.339 1.00 0.00 C ATOM 38 CD PRO A2565 6.720 -3.506 2.537 1.00 0.00 C ATOM 0 HA PRO A2565 3.646 -2.983 1.906 1.00 0.00 H new ATOM 0 HB2 PRO A2565 4.702 -4.853 4.052 1.00 0.00 H new ATOM 0 HB3 PRO A2565 3.909 -5.278 2.548 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.531 -5.631 2.788 1.00 0.00 H new ATOM 0 HG3 PRO A2565 5.875 -5.029 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.291 -3.504 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.425 -3.314 1.728 1.00 0.00 H new ATOM 46 N ASP A2566 4.329 -2.103 4.949 1.00 0.00 N ATOM 47 CA ASP A2566 3.794 -1.536 6.190 1.00 0.00 C ATOM 48 C ASP A2566 3.428 -0.067 6.037 1.00 0.00 C ATOM 49 O ASP A2566 2.780 0.506 6.923 1.00 0.00 O ATOM 50 CB ASP A2566 4.800 -1.669 7.338 1.00 0.00 C ATOM 51 CG ASP A2566 5.082 -3.091 7.748 1.00 0.00 C ATOM 52 OD1 ASP A2566 5.839 -3.790 7.040 1.00 0.00 O ATOM 53 OD2 ASP A2566 4.577 -3.536 8.794 1.00 0.00 O ATOM 0 H ASP A2566 5.348 -2.109 4.909 1.00 0.00 H new ATOM 0 HA ASP A2566 2.892 -2.104 6.419 1.00 0.00 H new ATOM 0 HB2 ASP A2566 5.736 -1.195 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A2566 4.424 -1.121 8.202 1.00 0.00 H new ATOM 58 N THR A2567 3.846 0.546 4.946 1.00 0.00 N ATOM 59 CA THR A2567 3.557 1.944 4.698 1.00 0.00 C ATOM 60 C THR A2567 2.059 2.122 4.485 1.00 0.00 C ATOM 61 O THR A2567 1.426 1.306 3.806 1.00 0.00 O ATOM 62 CB THR A2567 4.317 2.434 3.444 1.00 0.00 C ATOM 63 OG1 THR A2567 5.706 2.140 3.591 1.00 0.00 O ATOM 64 CG2 THR A2567 4.155 3.927 3.241 1.00 0.00 C ATOM 0 H THR A2567 4.391 0.093 4.213 1.00 0.00 H new ATOM 0 HA THR A2567 3.880 2.530 5.559 1.00 0.00 H new ATOM 0 HB THR A2567 3.901 1.920 2.577 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.191 2.448 2.797 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.703 4.235 2.350 1.00 0.00 H new ATOM 0 HG22 THR A2567 3.098 4.165 3.117 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.547 4.457 4.109 1.00 0.00 H new ATOM 72 N ARG A2568 1.493 3.137 5.087 1.00 0.00 N ATOM 73 CA ARG A2568 0.089 3.397 4.930 1.00 0.00 C ATOM 74 C ARG A2568 -0.127 4.272 3.738 1.00 0.00 C ATOM 75 O ARG A2568 0.693 5.157 3.444 1.00 0.00 O ATOM 76 CB ARG A2568 -0.503 4.084 6.155 1.00 0.00 C ATOM 77 CG ARG A2568 -0.417 3.302 7.443 1.00 0.00 C ATOM 78 CD ARG A2568 -1.124 1.979 7.325 1.00 0.00 C ATOM 79 NE ARG A2568 -1.150 1.270 8.595 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.133 0.462 8.980 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.236 0.368 8.253 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.039 -0.203 10.124 1.00 0.00 N ATOM 0 H ARG A2568 1.985 3.796 5.690 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.410 2.437 4.800 1.00 0.00 H new ATOM 0 HB2 ARG A2568 0.004 5.039 6.295 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.551 4.306 5.954 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.629 3.137 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -0.858 3.882 8.254 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.144 2.141 6.977 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -0.625 1.365 6.575 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.363 1.401 9.231 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.331 0.916 7.398 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -3.990 -0.252 8.548 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.211 -0.095 10.710 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -2.794 -0.822 10.417 1.00 0.00 H new ATOM 96 N ILE A2569 -1.199 4.035 3.050 1.00 0.00 N ATOM 97 CA ILE A2569 -1.541 4.826 1.920 1.00 0.00 C ATOM 98 C ILE A2569 -2.903 5.470 2.190 1.00 0.00 C ATOM 99 O ILE A2569 -3.939 4.811 2.088 1.00 0.00 O ATOM 100 CB ILE A2569 -1.642 3.952 0.644 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.396 3.040 0.491 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.812 4.847 -0.590 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.902 3.759 0.169 1.00 0.00 C ATOM 0 H ILE A2569 -1.859 3.286 3.259 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.771 5.580 1.760 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.515 3.307 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.261 2.480 1.416 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.594 2.313 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.882 4.226 -1.483 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.721 5.439 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.953 5.513 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.709 3.032 0.083 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.796 4.296 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A2569 1.134 4.466 0.966 1.00 0.00 H new ATOM 115 N PRO A2570 -2.910 6.743 2.603 1.00 0.00 N ATOM 116 CA PRO A2570 -4.141 7.466 2.859 1.00 0.00 C ATOM 117 C PRO A2570 -4.922 7.743 1.574 1.00 0.00 C ATOM 118 O PRO A2570 -4.465 8.478 0.670 1.00 0.00 O ATOM 119 CB PRO A2570 -3.714 8.759 3.557 1.00 0.00 C ATOM 120 CG PRO A2570 -2.224 8.819 3.486 1.00 0.00 C ATOM 121 CD PRO A2570 -1.718 7.535 2.884 1.00 0.00 C ATOM 0 HA PRO A2570 -4.823 6.883 3.478 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.159 9.626 3.069 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -4.052 8.768 4.593 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -1.908 9.670 2.882 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.804 8.961 4.482 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.149 7.725 1.974 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.053 7.014 3.572 1.00 0.00 H new ATOM 129 N VAL A2571 -6.082 7.146 1.489 1.00 0.00 N ATOM 130 CA VAL A2571 -6.927 7.225 0.325 1.00 0.00 C ATOM 131 C VAL A2571 -8.348 7.555 0.736 1.00 0.00 C ATOM 132 O VAL A2571 -8.727 7.390 1.910 1.00 0.00 O ATOM 133 CB VAL A2571 -6.923 5.896 -0.494 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.554 5.632 -1.100 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.343 4.716 0.379 1.00 0.00 C ATOM 0 H VAL A2571 -6.474 6.580 2.242 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.527 8.015 -0.311 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.645 6.006 -1.303 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.580 4.700 -1.665 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.286 6.453 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.813 5.554 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.332 3.802 -0.215 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.649 4.615 1.213 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.349 4.887 0.763 1.00 0.00 H new ATOM 145 N ILE A2572 -9.127 8.012 -0.197 1.00 0.00 N ATOM 146 CA ILE A2572 -10.482 8.336 0.070 1.00 0.00 C ATOM 147 C ILE A2572 -11.407 7.772 -1.019 1.00 0.00 C ATOM 148 O ILE A2572 -11.056 7.694 -2.206 1.00 0.00 O ATOM 149 CB ILE A2572 -10.694 9.870 0.308 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.175 10.184 0.640 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.182 10.700 -0.871 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.457 11.640 0.967 1.00 0.00 C ATOM 0 H ILE A2572 -8.835 8.168 -1.162 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.756 7.853 1.008 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.099 10.157 1.175 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.794 9.890 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.482 9.570 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.346 11.759 -0.669 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.116 10.518 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.718 10.416 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.517 11.765 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -11.870 11.938 1.835 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.187 12.263 0.115 1.00 0.00 H new ATOM 164 N ASN A2573 -12.529 7.335 -0.572 1.00 0.00 N ATOM 165 CA ASN A2573 -13.580 6.732 -1.347 1.00 0.00 C ATOM 166 C ASN A2573 -14.643 7.759 -1.630 1.00 0.00 C ATOM 167 O ASN A2573 -15.223 8.342 -0.715 1.00 0.00 O ATOM 168 CB ASN A2573 -14.141 5.628 -0.498 1.00 0.00 C ATOM 169 CG ASN A2573 -15.500 5.138 -0.891 1.00 0.00 C ATOM 170 OD1 ASN A2573 -16.488 5.650 -0.406 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.570 4.166 -1.725 1.00 0.00 N ATOM 0 H ASN A2573 -12.765 7.389 0.419 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.216 6.350 -2.301 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.449 4.786 -0.524 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.183 5.974 0.535 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.479 3.797 -2.003 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -14.716 3.762 -2.111 1.00 0.00 H new ATOM 178 N LEU A2574 -14.874 7.990 -2.867 1.00 0.00 N ATOM 179 CA LEU A2574 -15.844 8.975 -3.284 1.00 0.00 C ATOM 180 C LEU A2574 -17.259 8.403 -3.350 1.00 0.00 C ATOM 181 O LEU A2574 -18.234 9.136 -3.156 1.00 0.00 O ATOM 182 CB LEU A2574 -15.448 9.638 -4.605 1.00 0.00 C ATOM 183 CG LEU A2574 -14.154 10.482 -4.603 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.962 11.118 -5.957 1.00 0.00 C ATOM 185 CD2 LEU A2574 -14.200 11.552 -3.515 1.00 0.00 C ATOM 0 H LEU A2574 -14.404 7.510 -3.634 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.849 9.749 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.343 8.857 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -16.270 10.279 -4.923 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.310 9.825 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -13.049 11.713 -5.953 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.885 10.340 -6.717 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.813 11.761 -6.181 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -13.277 12.132 -3.536 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -15.048 12.214 -3.691 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -14.308 11.076 -2.541 1.00 0.00 H new ATOM 197 N GLU A2575 -17.363 7.099 -3.620 1.00 0.00 N ATOM 198 CA GLU A2575 -18.653 6.408 -3.774 1.00 0.00 C ATOM 199 C GLU A2575 -19.521 6.557 -2.528 1.00 0.00 C ATOM 200 O GLU A2575 -20.718 6.832 -2.624 1.00 0.00 O ATOM 201 CB GLU A2575 -18.495 4.893 -4.082 1.00 0.00 C ATOM 202 CG GLU A2575 -17.582 4.517 -5.235 1.00 0.00 C ATOM 203 CD GLU A2575 -16.128 4.498 -4.855 1.00 0.00 C ATOM 204 OE1 GLU A2575 -15.520 5.576 -4.728 1.00 0.00 O ATOM 205 OE2 GLU A2575 -15.565 3.382 -4.709 1.00 0.00 O ATOM 0 H GLU A2575 -16.555 6.488 -3.739 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.135 6.888 -4.626 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -18.125 4.401 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.484 4.483 -4.286 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.866 3.534 -5.610 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -17.729 5.224 -6.052 1.00 0.00 H new ATOM 212 N ASP A2576 -18.917 6.363 -1.381 1.00 0.00 N ATOM 213 CA ASP A2576 -19.623 6.461 -0.100 1.00 0.00 C ATOM 214 C ASP A2576 -19.259 7.739 0.608 1.00 0.00 C ATOM 215 O ASP A2576 -20.118 8.435 1.170 1.00 0.00 O ATOM 216 CB ASP A2576 -19.268 5.268 0.796 1.00 0.00 C ATOM 217 CG ASP A2576 -19.845 5.360 2.195 1.00 0.00 C ATOM 218 OD1 ASP A2576 -21.053 5.105 2.368 1.00 0.00 O ATOM 219 OD2 ASP A2576 -19.073 5.619 3.151 1.00 0.00 O ATOM 0 H ASP A2576 -17.927 6.133 -1.295 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.694 6.456 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -19.626 4.353 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.183 5.188 0.865 1.00 0.00 H new ATOM 224 N GLY A2577 -17.992 8.071 0.547 1.00 0.00 N ATOM 225 CA GLY A2577 -17.504 9.217 1.247 1.00 0.00 C ATOM 226 C GLY A2577 -16.581 8.803 2.360 1.00 0.00 C ATOM 227 O GLY A2577 -16.248 9.612 3.239 1.00 0.00 O ATOM 0 H GLY A2577 -17.286 7.559 0.018 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.977 9.875 0.556 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.341 9.785 1.653 1.00 0.00 H new ATOM 231 N THR A2578 -16.188 7.536 2.340 1.00 0.00 N ATOM 232 CA THR A2578 -15.290 6.980 3.270 1.00 0.00 C ATOM 233 C THR A2578 -13.883 7.607 3.070 1.00 0.00 C ATOM 234 O THR A2578 -13.508 7.887 1.955 1.00 0.00 O ATOM 235 CB THR A2578 -15.219 5.487 2.970 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.518 4.878 3.024 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.306 4.831 3.907 1.00 0.00 C ATOM 0 H THR A2578 -16.512 6.867 1.641 1.00 0.00 H new ATOM 0 HA THR A2578 -15.616 7.167 4.293 1.00 0.00 H new ATOM 0 HB THR A2578 -14.839 5.363 1.956 1.00 0.00 H new ATOM 0 HG1 THR A2578 -17.193 5.564 3.209 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.261 3.765 3.685 1.00 0.00 H new ATOM 0 HG22 THR A2578 -13.311 5.264 3.809 1.00 0.00 H new ATOM 0 HG23 THR A2578 -14.665 4.975 4.926 1.00 0.00 H new ATOM 245 N ARG A2579 -13.105 7.754 4.125 1.00 0.00 N ATOM 246 CA ARG A2579 -11.811 8.377 4.048 1.00 0.00 C ATOM 247 C ARG A2579 -10.940 7.657 5.012 1.00 0.00 C ATOM 248 O ARG A2579 -11.319 7.490 6.167 1.00 0.00 O ATOM 249 CB ARG A2579 -11.866 9.865 4.409 1.00 0.00 C ATOM 250 CG ARG A2579 -10.529 10.561 4.206 1.00 0.00 C ATOM 251 CD ARG A2579 -10.572 12.033 4.564 1.00 0.00 C ATOM 252 NE ARG A2579 -9.302 12.701 4.233 1.00 0.00 N ATOM 253 CZ ARG A2579 -8.693 13.661 4.940 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.253 14.156 6.038 1.00 0.00 N ATOM 255 NH2 ARG A2579 -7.523 14.128 4.526 1.00 0.00 N ATOM 0 H ARG A2579 -13.360 7.441 5.062 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.431 8.319 3.028 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.624 10.356 3.799 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.174 9.973 5.449 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.771 10.066 4.813 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.223 10.454 3.165 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -11.390 12.516 4.029 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.778 12.145 5.629 1.00 0.00 H new ATOM 0 HE ARG A2579 -8.838 12.401 3.376 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -10.158 13.805 6.352 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -8.778 14.887 6.567 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -7.097 13.756 3.677 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -7.049 14.859 5.056 1.00 0.00 H new ATOM 269 N LEU A2580 -9.823 7.188 4.551 1.00 0.00 N ATOM 270 CA LEU A2580 -8.974 6.377 5.362 1.00 0.00 C ATOM 271 C LEU A2580 -7.598 6.988 5.383 1.00 0.00 C ATOM 272 O LEU A2580 -6.905 7.009 4.360 1.00 0.00 O ATOM 273 CB LEU A2580 -8.889 4.931 4.810 1.00 0.00 C ATOM 274 CG LEU A2580 -10.207 4.179 4.481 1.00 0.00 C ATOM 275 CD1 LEU A2580 -11.181 4.203 5.619 1.00 0.00 C ATOM 276 CD2 LEU A2580 -10.830 4.634 3.162 1.00 0.00 C ATOM 0 H LEU A2580 -9.476 7.356 3.607 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.388 6.331 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.289 4.959 3.900 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.339 4.332 5.536 1.00 0.00 H new ATOM 0 HG LEU A2580 -9.933 3.134 4.339 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -12.085 3.663 5.336 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -10.733 3.728 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -11.435 5.236 5.859 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.749 4.076 2.982 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -11.057 5.699 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.129 4.453 2.347 1.00 0.00 H new ATOM 288 N VAL A2581 -7.208 7.503 6.518 1.00 0.00 N ATOM 289 CA VAL A2581 -5.916 8.136 6.669 1.00 0.00 C ATOM 290 C VAL A2581 -5.246 7.617 7.938 1.00 0.00 C ATOM 291 O VAL A2581 -5.934 7.240 8.887 1.00 0.00 O ATOM 292 CB VAL A2581 -6.010 9.707 6.685 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.516 10.252 5.346 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.910 10.194 7.801 1.00 0.00 C ATOM 0 H VAL A2581 -7.774 7.498 7.367 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.311 7.876 5.800 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.001 10.081 6.857 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.569 11.340 5.392 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.832 9.955 4.551 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.508 9.849 5.141 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.953 11.283 7.784 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.912 9.789 7.663 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.513 9.861 8.760 1.00 0.00 H new ATOM 304 N GLY A2582 -3.930 7.569 7.946 1.00 0.00 N ATOM 305 CA GLY A2582 -3.203 7.046 9.091 1.00 0.00 C ATOM 306 C GLY A2582 -3.261 5.531 9.143 1.00 0.00 C ATOM 307 O GLY A2582 -3.096 4.877 8.129 1.00 0.00 O ATOM 0 H GLY A2582 -3.340 7.884 7.176 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.163 7.370 9.042 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.622 7.459 10.009 1.00 0.00 H new ATOM 311 N GLU A2583 -3.547 4.989 10.307 1.00 0.00 N ATOM 312 CA GLU A2583 -3.671 3.538 10.509 1.00 0.00 C ATOM 313 C GLU A2583 -5.006 3.052 9.949 1.00 0.00 C ATOM 314 O GLU A2583 -5.237 1.855 9.772 1.00 0.00 O ATOM 315 CB GLU A2583 -3.597 3.208 11.996 1.00 0.00 C ATOM 316 CG GLU A2583 -2.271 3.544 12.648 1.00 0.00 C ATOM 317 CD GLU A2583 -1.138 2.676 12.151 1.00 0.00 C ATOM 318 OE1 GLU A2583 -0.985 1.536 12.653 1.00 0.00 O ATOM 319 OE2 GLU A2583 -0.374 3.108 11.267 1.00 0.00 O ATOM 0 H GLU A2583 -3.704 5.536 11.154 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.853 3.039 9.989 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.390 3.747 12.515 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.794 2.144 12.130 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -2.032 4.590 12.457 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -2.363 3.430 13.728 1.00 0.00 H new ATOM 326 N ASP A2584 -5.900 3.991 9.745 1.00 0.00 N ATOM 327 CA ASP A2584 -7.213 3.727 9.145 1.00 0.00 C ATOM 328 C ASP A2584 -7.022 3.414 7.678 1.00 0.00 C ATOM 329 O ASP A2584 -7.786 2.663 7.072 1.00 0.00 O ATOM 330 CB ASP A2584 -8.074 4.966 9.264 1.00 0.00 C ATOM 331 CG ASP A2584 -9.536 4.735 9.013 1.00 0.00 C ATOM 332 OD1 ASP A2584 -10.145 3.860 9.665 1.00 0.00 O ATOM 333 OD2 ASP A2584 -10.116 5.468 8.221 1.00 0.00 O ATOM 0 H ASP A2584 -5.748 4.970 9.988 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.691 2.891 9.655 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.951 5.383 10.263 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -7.711 5.714 8.559 1.00 0.00 H new ATOM 338 N ALA A2585 -5.969 3.983 7.134 1.00 0.00 N ATOM 339 CA ALA A2585 -5.615 3.825 5.743 1.00 0.00 C ATOM 340 C ALA A2585 -5.052 2.447 5.505 1.00 0.00 C ATOM 341 O ALA A2585 -4.287 1.941 6.330 1.00 0.00 O ATOM 342 CB ALA A2585 -4.593 4.868 5.349 1.00 0.00 C ATOM 0 H ALA A2585 -5.325 4.578 7.655 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.511 3.953 5.136 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.331 4.742 4.298 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -5.011 5.863 5.502 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.699 4.752 5.962 1.00 0.00 H new ATOM 348 N PRO A2586 -5.417 1.808 4.394 1.00 0.00 N ATOM 349 CA PRO A2586 -4.907 0.494 4.059 1.00 0.00 C ATOM 350 C PRO A2586 -3.395 0.530 3.861 1.00 0.00 C ATOM 351 O PRO A2586 -2.825 1.546 3.399 1.00 0.00 O ATOM 352 CB PRO A2586 -5.619 0.133 2.743 1.00 0.00 C ATOM 353 CG PRO A2586 -6.068 1.438 2.182 1.00 0.00 C ATOM 354 CD PRO A2586 -6.346 2.319 3.367 1.00 0.00 C ATOM 0 HA PRO A2586 -5.092 -0.235 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.946 -0.381 2.057 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.464 -0.533 2.920 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.300 1.874 1.542 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.961 1.314 1.569 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -6.158 3.369 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.384 2.243 3.690 1.00 0.00 H new ATOM 362 N LYS A2587 -2.746 -0.524 4.269 1.00 0.00 N ATOM 363 CA LYS A2587 -1.335 -0.650 4.081 1.00 0.00 C ATOM 364 C LYS A2587 -1.057 -0.856 2.611 1.00 0.00 C ATOM 365 O LYS A2587 -1.923 -1.320 1.871 1.00 0.00 O ATOM 366 CB LYS A2587 -0.799 -1.844 4.847 1.00 0.00 C ATOM 367 CG LYS A2587 -1.071 -1.829 6.328 1.00 0.00 C ATOM 368 CD LYS A2587 -0.534 -3.084 6.972 1.00 0.00 C ATOM 369 CE LYS A2587 -0.879 -3.142 8.435 1.00 0.00 C ATOM 370 NZ LYS A2587 -0.337 -4.355 9.084 1.00 0.00 N ATOM 0 H LYS A2587 -3.182 -1.317 4.740 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.848 0.255 4.445 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.231 -2.751 4.424 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.278 -1.901 4.692 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.607 -0.953 6.781 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.143 -1.751 6.507 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -0.943 -3.958 6.465 1.00 0.00 H new ATOM 0 HD3 LYS A2587 0.548 -3.123 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -0.486 -2.257 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -1.962 -3.121 8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -0.597 -4.356 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -0.731 -5.200 8.624 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 0.699 -4.363 8.994 1.00 0.00 H new ATOM 384 N ASN A2588 0.141 -0.542 2.212 1.00 0.00 N ATOM 385 CA ASN A2588 0.615 -0.688 0.834 1.00 0.00 C ATOM 386 C ASN A2588 0.369 -2.107 0.307 1.00 0.00 C ATOM 387 O ASN A2588 -0.049 -2.297 -0.835 1.00 0.00 O ATOM 388 CB ASN A2588 2.096 -0.371 0.807 1.00 0.00 C ATOM 389 CG ASN A2588 2.760 -0.615 -0.545 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.161 -0.451 -1.598 1.00 0.00 O ATOM 391 ND2 ASN A2588 4.000 -1.027 -0.511 1.00 0.00 N ATOM 0 H ASN A2588 0.849 -0.165 2.842 1.00 0.00 H new ATOM 0 HA ASN A2588 0.066 -0.002 0.189 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.239 0.673 1.087 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.600 -0.975 1.562 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.497 -1.222 -1.380 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.471 -1.154 0.385 1.00 0.00 H new ATOM 398 N LYS A2589 0.577 -3.082 1.176 1.00 0.00 N ATOM 399 CA LYS A2589 0.366 -4.494 0.855 1.00 0.00 C ATOM 400 C LYS A2589 -1.095 -4.797 0.473 1.00 0.00 C ATOM 401 O LYS A2589 -1.376 -5.745 -0.242 1.00 0.00 O ATOM 402 CB LYS A2589 0.780 -5.363 2.044 1.00 0.00 C ATOM 403 CG LYS A2589 0.152 -4.934 3.380 1.00 0.00 C ATOM 404 CD LYS A2589 0.471 -5.906 4.498 1.00 0.00 C ATOM 405 CE LYS A2589 -0.296 -7.201 4.326 1.00 0.00 C ATOM 406 NZ LYS A2589 -1.734 -7.062 4.649 1.00 0.00 N ATOM 0 H LYS A2589 0.899 -2.921 2.130 1.00 0.00 H new ATOM 0 HA LYS A2589 0.984 -4.726 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A2589 0.503 -6.397 1.839 1.00 0.00 H new ATOM 0 HB3 LYS A2589 1.866 -5.337 2.139 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.515 -3.942 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.929 -4.858 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A2589 1.541 -6.112 4.511 1.00 0.00 H new ATOM 0 HD3 LYS A2589 0.221 -5.456 5.459 1.00 0.00 H new ATOM 0 HE2 LYS A2589 -0.191 -7.547 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A2589 0.143 -7.966 4.966 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 -2.299 -7.576 3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 -1.917 -7.456 5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 -1.997 -6.056 4.636 1.00 0.00 H new ATOM 420 N ASP A2590 -2.009 -4.001 0.974 1.00 0.00 N ATOM 421 CA ASP A2590 -3.433 -4.193 0.693 1.00 0.00 C ATOM 422 C ASP A2590 -3.966 -3.140 -0.245 1.00 0.00 C ATOM 423 O ASP A2590 -5.142 -3.184 -0.618 1.00 0.00 O ATOM 424 CB ASP A2590 -4.276 -4.161 1.969 1.00 0.00 C ATOM 425 CG ASP A2590 -3.920 -5.229 2.949 1.00 0.00 C ATOM 426 OD1 ASP A2590 -4.328 -6.374 2.773 1.00 0.00 O ATOM 427 OD2 ASP A2590 -3.220 -4.941 3.946 1.00 0.00 O ATOM 0 H ASP A2590 -1.803 -3.208 1.582 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.511 -5.175 0.227 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -4.160 -3.188 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.328 -4.261 1.702 1.00 0.00 H new ATOM 432 N LEU A2591 -3.119 -2.206 -0.642 1.00 0.00 N ATOM 433 CA LEU A2591 -3.541 -1.103 -1.484 1.00 0.00 C ATOM 434 C LEU A2591 -4.105 -1.607 -2.799 1.00 0.00 C ATOM 435 O LEU A2591 -5.217 -1.270 -3.169 1.00 0.00 O ATOM 436 CB LEU A2591 -2.384 -0.148 -1.748 1.00 0.00 C ATOM 437 CG LEU A2591 -2.724 1.089 -2.584 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.697 1.998 -1.854 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.470 1.838 -2.983 1.00 0.00 C ATOM 0 H LEU A2591 -2.130 -2.191 -0.392 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.326 -0.564 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.983 0.182 -0.790 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.590 -0.698 -2.253 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.213 0.748 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.918 2.867 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.619 1.454 -1.649 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.253 2.326 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.741 2.712 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.937 2.158 -2.088 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.828 1.184 -3.573 1.00 0.00 H new ATOM 451 N VAL A2592 -3.356 -2.464 -3.465 1.00 0.00 N ATOM 452 CA VAL A2592 -3.765 -3.006 -4.760 1.00 0.00 C ATOM 453 C VAL A2592 -5.108 -3.745 -4.675 1.00 0.00 C ATOM 454 O VAL A2592 -5.935 -3.648 -5.578 1.00 0.00 O ATOM 455 CB VAL A2592 -2.681 -3.928 -5.370 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.449 -3.120 -5.743 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.301 -5.037 -4.401 1.00 0.00 C ATOM 0 H VAL A2592 -2.454 -2.806 -3.134 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.892 -2.150 -5.423 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.094 -4.384 -6.270 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.696 -3.782 -6.171 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.721 -2.359 -6.474 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.046 -2.639 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.538 -5.670 -4.854 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.911 -4.599 -3.482 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.181 -5.637 -4.172 1.00 0.00 H new ATOM 467 N GLU A2593 -5.329 -4.411 -3.554 1.00 0.00 N ATOM 468 CA GLU A2593 -6.537 -5.166 -3.298 1.00 0.00 C ATOM 469 C GLU A2593 -7.714 -4.220 -3.129 1.00 0.00 C ATOM 470 O GLU A2593 -8.770 -4.399 -3.743 1.00 0.00 O ATOM 471 CB GLU A2593 -6.355 -5.985 -2.022 1.00 0.00 C ATOM 472 CG GLU A2593 -5.194 -6.964 -2.068 1.00 0.00 C ATOM 473 CD GLU A2593 -5.362 -8.025 -3.127 1.00 0.00 C ATOM 474 OE1 GLU A2593 -5.090 -7.759 -4.302 1.00 0.00 O ATOM 475 OE2 GLU A2593 -5.739 -9.159 -2.790 1.00 0.00 O ATOM 0 H GLU A2593 -4.660 -4.441 -2.785 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.733 -5.830 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -6.207 -5.303 -1.185 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.274 -6.538 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.270 -6.416 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.090 -7.443 -1.094 1.00 0.00 H new ATOM 482 N TRP A2594 -7.504 -3.190 -2.319 1.00 0.00 N ATOM 483 CA TRP A2594 -8.528 -2.193 -2.032 1.00 0.00 C ATOM 484 C TRP A2594 -8.910 -1.471 -3.330 1.00 0.00 C ATOM 485 O TRP A2594 -10.067 -1.152 -3.563 1.00 0.00 O ATOM 486 CB TRP A2594 -7.998 -1.192 -0.986 1.00 0.00 C ATOM 487 CG TRP A2594 -9.068 -0.382 -0.313 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.807 -0.771 0.764 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.513 0.948 -0.643 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.686 0.214 1.117 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.532 1.276 0.277 1.00 0.00 C ATOM 492 CE3 TRP A2594 -9.166 1.888 -1.617 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -11.200 2.497 0.250 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.834 3.096 -1.632 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.836 3.390 -0.709 1.00 0.00 C ATOM 0 H TRP A2594 -6.618 -3.022 -1.842 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.415 -2.678 -1.626 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -7.440 -1.739 -0.226 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -7.296 -0.514 -1.471 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.712 -1.722 1.267 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -11.352 0.162 1.888 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.393 1.674 -2.341 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.978 2.726 0.963 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.573 3.832 -2.378 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.334 4.347 -0.756 1.00 0.00 H new ATOM 506 N LEU A2595 -7.923 -1.281 -4.184 1.00 0.00 N ATOM 507 CA LEU A2595 -8.098 -0.652 -5.495 1.00 0.00 C ATOM 508 C LEU A2595 -8.931 -1.506 -6.421 1.00 0.00 C ATOM 509 O LEU A2595 -9.642 -0.993 -7.277 1.00 0.00 O ATOM 510 CB LEU A2595 -6.753 -0.343 -6.125 1.00 0.00 C ATOM 511 CG LEU A2595 -6.125 1.017 -5.797 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.235 1.367 -4.323 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.682 0.997 -6.206 1.00 0.00 C ATOM 0 H LEU A2595 -6.961 -1.560 -3.992 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.635 0.283 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.052 -1.121 -5.824 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.862 -0.413 -7.207 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.673 1.781 -6.349 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.775 2.339 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.286 1.404 -4.035 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.723 0.609 -3.730 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.226 1.960 -5.977 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.160 0.210 -5.662 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.610 0.807 -7.277 1.00 0.00 H new ATOM 525 N LYS A2596 -8.815 -2.806 -6.285 1.00 0.00 N ATOM 526 CA LYS A2596 -9.632 -3.721 -7.081 1.00 0.00 C ATOM 527 C LYS A2596 -11.103 -3.537 -6.746 1.00 0.00 C ATOM 528 O LYS A2596 -11.967 -3.658 -7.612 1.00 0.00 O ATOM 529 CB LYS A2596 -9.227 -5.175 -6.866 1.00 0.00 C ATOM 530 CG LYS A2596 -7.782 -5.460 -7.210 1.00 0.00 C ATOM 531 CD LYS A2596 -7.444 -6.933 -7.111 1.00 0.00 C ATOM 532 CE LYS A2596 -8.177 -7.757 -8.166 1.00 0.00 C ATOM 533 NZ LYS A2596 -7.871 -7.289 -9.541 1.00 0.00 N ATOM 0 H LYS A2596 -8.171 -3.261 -5.638 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.466 -3.481 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.403 -5.442 -5.824 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.869 -5.815 -7.471 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.577 -5.110 -8.222 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -7.134 -4.896 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -6.369 -7.067 -7.228 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.705 -7.299 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -7.896 -8.806 -8.068 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -9.251 -7.697 -7.992 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -8.140 -8.024 -10.226 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -8.406 -6.419 -9.739 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -6.853 -7.095 -9.623 1.00 0.00 H new ATOM 547 N LEU A2597 -11.376 -3.237 -5.491 1.00 0.00 N ATOM 548 CA LEU A2597 -12.730 -2.965 -5.049 1.00 0.00 C ATOM 549 C LEU A2597 -13.127 -1.526 -5.354 1.00 0.00 C ATOM 550 O LEU A2597 -14.296 -1.234 -5.628 1.00 0.00 O ATOM 551 CB LEU A2597 -12.908 -3.254 -3.542 1.00 0.00 C ATOM 552 CG LEU A2597 -13.043 -4.727 -3.099 1.00 0.00 C ATOM 553 CD1 LEU A2597 -14.288 -5.367 -3.694 1.00 0.00 C ATOM 554 CD2 LEU A2597 -11.808 -5.547 -3.437 1.00 0.00 C ATOM 0 H LEU A2597 -10.673 -3.175 -4.755 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.387 -3.636 -5.603 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -12.056 -2.824 -3.016 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.795 -2.720 -3.202 1.00 0.00 H new ATOM 0 HG LEU A2597 -13.141 -4.720 -2.013 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -14.357 -6.404 -3.365 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -15.171 -4.822 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -14.229 -5.335 -4.782 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.952 -6.575 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -11.645 -5.533 -4.515 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -10.940 -5.122 -2.933 1.00 0.00 H new ATOM 566 N HIS A2598 -12.168 -0.624 -5.312 1.00 0.00 N ATOM 567 CA HIS A2598 -12.457 0.777 -5.552 1.00 0.00 C ATOM 568 C HIS A2598 -11.589 1.386 -6.647 1.00 0.00 C ATOM 569 O HIS A2598 -10.612 2.049 -6.358 1.00 0.00 O ATOM 570 CB HIS A2598 -12.326 1.622 -4.267 1.00 0.00 C ATOM 571 CG HIS A2598 -13.222 1.177 -3.146 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.520 1.590 -3.003 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.991 0.311 -2.127 1.00 0.00 C ATOM 574 CE1 HIS A2598 -15.037 0.980 -1.932 1.00 0.00 C ATOM 575 NE2 HIS A2598 -14.146 0.187 -1.357 1.00 0.00 N ATOM 0 H HIS A2598 -11.189 -0.832 -5.116 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.493 0.800 -5.891 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.291 1.587 -3.926 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.549 2.662 -4.505 1.00 0.00 H new ATOM 0 HD1 HIS A2598 -15.008 2.249 -3.609 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -12.059 -0.202 -1.942 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -16.049 1.116 -1.581 1.00 0.00 H new ATOM 583 N PRO A2599 -11.921 1.162 -7.933 1.00 0.00 N ATOM 584 CA PRO A2599 -11.214 1.819 -9.044 1.00 0.00 C ATOM 585 C PRO A2599 -11.674 3.275 -9.158 1.00 0.00 C ATOM 586 O PRO A2599 -11.055 4.122 -9.814 1.00 0.00 O ATOM 587 CB PRO A2599 -11.651 1.010 -10.271 1.00 0.00 C ATOM 588 CG PRO A2599 -12.976 0.432 -9.902 1.00 0.00 C ATOM 589 CD PRO A2599 -12.967 0.229 -8.414 1.00 0.00 C ATOM 0 HA PRO A2599 -10.131 1.843 -8.922 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -11.729 1.644 -11.154 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -10.930 0.227 -10.504 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -13.784 1.102 -10.195 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -13.142 -0.513 -10.419 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -13.938 0.456 -7.974 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -12.732 -0.803 -8.153 1.00 0.00 H new ATOM 597 N THR A2600 -12.737 3.530 -8.459 1.00 0.00 N ATOM 598 CA THR A2600 -13.421 4.770 -8.356 1.00 0.00 C ATOM 599 C THR A2600 -12.887 5.604 -7.186 1.00 0.00 C ATOM 600 O THR A2600 -13.452 6.644 -6.840 1.00 0.00 O ATOM 601 CB THR A2600 -14.859 4.399 -8.065 1.00 0.00 C ATOM 602 OG1 THR A2600 -14.837 3.184 -7.265 1.00 0.00 O ATOM 603 CG2 THR A2600 -15.629 4.131 -9.329 1.00 0.00 C ATOM 0 H THR A2600 -13.183 2.805 -7.897 1.00 0.00 H new ATOM 0 HA THR A2600 -13.298 5.361 -9.264 1.00 0.00 H new ATOM 0 HB THR A2600 -15.346 5.225 -7.546 1.00 0.00 H new ATOM 0 HG1 THR A2600 -15.753 2.940 -7.015 1.00 0.00 H new ATOM 0 HG21 THR A2600 -16.657 3.868 -9.080 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.624 5.024 -9.954 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.164 3.307 -9.870 1.00 0.00 H new ATOM 611 N TYR A2601 -11.777 5.182 -6.616 1.00 0.00 N ATOM 612 CA TYR A2601 -11.272 5.834 -5.434 1.00 0.00 C ATOM 613 C TYR A2601 -10.406 7.025 -5.829 1.00 0.00 C ATOM 614 O TYR A2601 -10.176 7.277 -7.016 1.00 0.00 O ATOM 615 CB TYR A2601 -10.432 4.847 -4.603 1.00 0.00 C ATOM 616 CG TYR A2601 -8.982 4.698 -5.058 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.651 4.280 -6.342 1.00 0.00 C ATOM 618 CD2 TYR A2601 -7.954 5.018 -4.198 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.345 4.184 -6.741 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.649 4.932 -4.589 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.342 4.514 -5.861 1.00 0.00 C ATOM 622 OH TYR A2601 -5.024 4.433 -6.254 1.00 0.00 O ATOM 0 H TYR A2601 -11.215 4.399 -6.950 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.116 6.179 -4.837 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.440 5.172 -3.563 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.910 3.868 -4.635 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.438 4.027 -7.037 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.185 5.343 -3.195 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.105 3.851 -7.740 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.859 5.192 -3.900 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.444 4.703 -5.511 1.00 0.00 H new ATOM 632 N THR A2602 -9.952 7.747 -4.863 1.00 0.00 N ATOM 633 CA THR A2602 -9.071 8.846 -5.076 1.00 0.00 C ATOM 634 C THR A2602 -8.024 8.847 -3.964 1.00 0.00 C ATOM 635 O THR A2602 -8.343 8.564 -2.812 1.00 0.00 O ATOM 636 CB THR A2602 -9.886 10.157 -5.080 1.00 0.00 C ATOM 637 OG1 THR A2602 -10.845 10.103 -6.141 1.00 0.00 O ATOM 638 CG2 THR A2602 -9.020 11.381 -5.271 1.00 0.00 C ATOM 0 H THR A2602 -10.187 7.588 -3.883 1.00 0.00 H new ATOM 0 HA THR A2602 -8.565 8.760 -6.037 1.00 0.00 H new ATOM 0 HB THR A2602 -10.370 10.244 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A2602 -11.021 11.009 -6.469 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.645 12.274 -5.266 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.293 11.442 -4.461 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.496 11.311 -6.224 1.00 0.00 H new ATOM 646 N VAL A2603 -6.779 9.072 -4.311 1.00 0.00 N ATOM 647 CA VAL A2603 -5.738 9.155 -3.314 1.00 0.00 C ATOM 648 C VAL A2603 -5.874 10.488 -2.594 1.00 0.00 C ATOM 649 O VAL A2603 -5.992 11.540 -3.238 1.00 0.00 O ATOM 650 CB VAL A2603 -4.313 8.991 -3.931 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.233 9.116 -2.864 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.191 7.646 -4.626 1.00 0.00 C ATOM 0 H VAL A2603 -6.463 9.200 -5.272 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.856 8.333 -2.608 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.172 9.789 -4.660 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.252 8.997 -3.324 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.297 10.098 -2.394 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.376 8.343 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.192 7.546 -5.051 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.360 6.847 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.933 7.579 -5.422 1.00 0.00 H new ATOM 662 N ASP A2604 -5.886 10.435 -1.278 1.00 0.00 N ATOM 663 CA ASP A2604 -6.112 11.615 -0.448 1.00 0.00 C ATOM 664 C ASP A2604 -4.881 12.506 -0.456 1.00 0.00 C ATOM 665 O ASP A2604 -4.965 13.728 -0.312 1.00 0.00 O ATOM 666 CB ASP A2604 -6.459 11.178 0.977 1.00 0.00 C ATOM 667 CG ASP A2604 -6.816 12.323 1.890 1.00 0.00 C ATOM 668 OD1 ASP A2604 -7.992 12.704 1.922 1.00 0.00 O ATOM 669 OD2 ASP A2604 -5.946 12.840 2.611 1.00 0.00 O ATOM 0 H ASP A2604 -5.740 9.576 -0.748 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.946 12.188 -0.852 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.295 10.479 0.940 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -5.611 10.639 1.399 1.00 0.00 H new