USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2573 ASN : amide:sc= 1.12 K(o=1.2,f=-1.8!) USER MOD Set 1.2: A2598 HIS : no HD1:sc= -0.0007 K(o=1.2,f=-1.4) USER MOD Set 1.3: A2600 THR OG1 : rot 76:sc= 0.0884 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+ -126:sc= 0.27 (180deg=-0.0497) USER MOD Single : A2588 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2596 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0375) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot -170:sc=-2.97e-05 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.405 -2.500 3.286 1.00 0.00 N ATOM 33 CA PRO A2565 4.111 -3.120 3.000 1.00 0.00 C ATOM 34 C PRO A2565 3.083 -2.725 4.067 1.00 0.00 C ATOM 35 O PRO A2565 1.880 -2.698 3.815 1.00 0.00 O ATOM 36 CB PRO A2565 4.410 -4.628 3.070 1.00 0.00 C ATOM 37 CG PRO A2565 5.702 -4.735 3.810 1.00 0.00 C ATOM 38 CD PRO A2565 6.467 -3.503 3.471 1.00 0.00 C ATOM 0 HA PRO A2565 3.693 -2.814 2.041 1.00 0.00 H new ATOM 0 HB2 PRO A2565 3.614 -5.164 3.587 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.490 -5.061 2.073 1.00 0.00 H new ATOM 0 HG2 PRO A2565 5.532 -4.807 4.884 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.250 -5.629 3.513 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.155 -3.222 4.269 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.063 -3.633 2.567 1.00 0.00 H new ATOM 46 N ASP A2566 3.604 -2.364 5.224 1.00 0.00 N ATOM 47 CA ASP A2566 2.825 -1.962 6.379 1.00 0.00 C ATOM 48 C ASP A2566 2.414 -0.488 6.291 1.00 0.00 C ATOM 49 O ASP A2566 1.386 -0.095 6.848 1.00 0.00 O ATOM 50 CB ASP A2566 3.651 -2.186 7.642 1.00 0.00 C ATOM 51 CG ASP A2566 2.900 -1.846 8.901 1.00 0.00 C ATOM 52 OD1 ASP A2566 2.181 -2.725 9.416 1.00 0.00 O ATOM 53 OD2 ASP A2566 3.019 -0.709 9.398 1.00 0.00 O ATOM 0 H ASP A2566 4.610 -2.342 5.391 1.00 0.00 H new ATOM 0 HA ASP A2566 1.917 -2.564 6.408 1.00 0.00 H new ATOM 0 HB2 ASP A2566 3.967 -3.229 7.684 1.00 0.00 H new ATOM 0 HB3 ASP A2566 4.556 -1.581 7.590 1.00 0.00 H new ATOM 58 N THR A2567 3.215 0.315 5.571 1.00 0.00 N ATOM 59 CA THR A2567 2.967 1.743 5.426 1.00 0.00 C ATOM 60 C THR A2567 1.575 1.981 4.862 1.00 0.00 C ATOM 61 O THR A2567 1.176 1.352 3.884 1.00 0.00 O ATOM 62 CB THR A2567 4.027 2.401 4.512 1.00 0.00 C ATOM 63 OG1 THR A2567 5.327 2.134 5.037 1.00 0.00 O ATOM 64 CG2 THR A2567 3.835 3.908 4.439 1.00 0.00 C ATOM 0 H THR A2567 4.046 -0.014 5.079 1.00 0.00 H new ATOM 0 HA THR A2567 3.035 2.199 6.414 1.00 0.00 H new ATOM 0 HB THR A2567 3.918 1.985 3.510 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.004 2.547 4.461 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.596 4.341 3.789 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.846 4.130 4.038 1.00 0.00 H new ATOM 0 HG23 THR A2567 3.926 4.335 5.438 1.00 0.00 H new ATOM 72 N ARG A2568 0.856 2.858 5.487 1.00 0.00 N ATOM 73 CA ARG A2568 -0.503 3.106 5.135 1.00 0.00 C ATOM 74 C ARG A2568 -0.586 4.140 4.036 1.00 0.00 C ATOM 75 O ARG A2568 0.192 5.109 4.018 1.00 0.00 O ATOM 76 CB ARG A2568 -1.258 3.584 6.350 1.00 0.00 C ATOM 77 CG ARG A2568 -1.153 2.674 7.563 1.00 0.00 C ATOM 78 CD ARG A2568 -1.771 1.324 7.305 1.00 0.00 C ATOM 79 NE ARG A2568 -1.721 0.470 8.496 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.794 -0.087 9.086 1.00 0.00 C ATOM 81 NH1 ARG A2568 -4.005 0.133 8.607 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.651 -0.854 10.158 1.00 0.00 N ATOM 0 H ARG A2568 1.199 3.426 6.262 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.948 2.180 4.771 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.891 4.574 6.623 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -2.310 3.695 6.087 1.00 0.00 H new ATOM 0 HG2 ARG A2568 -0.105 2.548 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.647 3.143 8.414 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.807 1.452 6.992 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -1.247 0.835 6.484 1.00 0.00 H new ATOM 0 HE ARG A2568 -0.806 0.285 8.907 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -4.129 0.727 7.787 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -4.816 -0.291 9.057 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.722 -1.026 10.542 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -3.470 -1.272 10.599 1.00 0.00 H new ATOM 96 N ILE A2569 -1.513 3.939 3.140 1.00 0.00 N ATOM 97 CA ILE A2569 -1.706 4.811 2.008 1.00 0.00 C ATOM 98 C ILE A2569 -3.026 5.583 2.183 1.00 0.00 C ATOM 99 O ILE A2569 -4.108 4.997 2.105 1.00 0.00 O ATOM 100 CB ILE A2569 -1.774 3.997 0.690 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.591 3.003 0.585 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.791 4.942 -0.518 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.783 3.640 0.480 1.00 0.00 C ATOM 0 H ILE A2569 -2.165 3.156 3.174 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.863 5.500 1.954 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.698 3.418 0.696 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.606 2.352 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.747 2.369 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -1.839 4.357 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.662 5.594 -0.457 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -0.884 5.547 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.541 2.860 0.411 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.826 4.267 -0.410 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.969 4.251 1.363 1.00 0.00 H new ATOM 115 N PRO A2570 -2.941 6.882 2.482 1.00 0.00 N ATOM 116 CA PRO A2570 -4.116 7.738 2.685 1.00 0.00 C ATOM 117 C PRO A2570 -4.940 7.977 1.400 1.00 0.00 C ATOM 118 O PRO A2570 -4.572 8.786 0.521 1.00 0.00 O ATOM 119 CB PRO A2570 -3.527 9.043 3.221 1.00 0.00 C ATOM 120 CG PRO A2570 -2.107 9.038 2.768 1.00 0.00 C ATOM 121 CD PRO A2570 -1.685 7.611 2.682 1.00 0.00 C ATOM 0 HA PRO A2570 -4.831 7.272 3.363 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.063 9.908 2.831 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -3.595 9.090 4.308 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -2.009 9.529 1.800 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -1.476 9.586 3.468 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -0.993 7.448 1.856 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.177 7.289 3.591 1.00 0.00 H new ATOM 129 N VAL A2571 -6.045 7.278 1.300 1.00 0.00 N ATOM 130 CA VAL A2571 -6.919 7.341 0.143 1.00 0.00 C ATOM 131 C VAL A2571 -8.362 7.549 0.582 1.00 0.00 C ATOM 132 O VAL A2571 -8.691 7.382 1.766 1.00 0.00 O ATOM 133 CB VAL A2571 -6.829 6.049 -0.723 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.455 5.906 -1.358 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.146 4.816 0.111 1.00 0.00 C ATOM 0 H VAL A2571 -6.371 6.640 2.026 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.589 8.184 -0.464 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.569 6.136 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.423 4.995 -1.956 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.258 6.767 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.697 5.854 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.077 3.926 -0.515 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.433 4.739 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.155 4.899 0.514 1.00 0.00 H new ATOM 145 N ILE A2572 -9.213 7.921 -0.345 1.00 0.00 N ATOM 146 CA ILE A2572 -10.607 8.136 -0.051 1.00 0.00 C ATOM 147 C ILE A2572 -11.485 7.621 -1.199 1.00 0.00 C ATOM 148 O ILE A2572 -11.128 7.743 -2.362 1.00 0.00 O ATOM 149 CB ILE A2572 -10.905 9.656 0.231 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.417 9.880 0.495 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.398 10.551 -0.911 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.818 11.320 0.765 1.00 0.00 C ATOM 0 H ILE A2572 -8.959 8.082 -1.320 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.848 7.575 0.852 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.360 9.942 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -12.978 9.519 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.715 9.270 1.348 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.621 11.593 -0.683 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.321 10.426 -1.021 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.893 10.270 -1.841 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.893 11.372 0.937 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.291 11.685 1.647 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.558 11.937 -0.095 1.00 0.00 H new ATOM 164 N ASN A2573 -12.589 7.002 -0.870 1.00 0.00 N ATOM 165 CA ASN A2573 -13.542 6.595 -1.878 1.00 0.00 C ATOM 166 C ASN A2573 -14.609 7.637 -1.933 1.00 0.00 C ATOM 167 O ASN A2573 -15.372 7.782 -0.976 1.00 0.00 O ATOM 168 CB ASN A2573 -14.210 5.260 -1.569 1.00 0.00 C ATOM 169 CG ASN A2573 -15.047 4.795 -2.762 1.00 0.00 C ATOM 170 OD1 ASN A2573 -14.759 5.138 -3.882 1.00 0.00 O ATOM 171 ND2 ASN A2573 -16.070 4.018 -2.535 1.00 0.00 N ATOM 0 H ASN A2573 -12.853 6.767 0.087 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.004 6.482 -2.819 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.452 4.512 -1.335 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -14.844 5.358 -0.688 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.643 3.689 -3.312 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -16.297 3.739 -1.580 1.00 0.00 H new ATOM 178 N LEU A2574 -14.691 8.347 -3.028 1.00 0.00 N ATOM 179 CA LEU A2574 -15.633 9.455 -3.148 1.00 0.00 C ATOM 180 C LEU A2574 -17.080 8.976 -3.198 1.00 0.00 C ATOM 181 O LEU A2574 -17.998 9.731 -2.891 1.00 0.00 O ATOM 182 CB LEU A2574 -15.312 10.344 -4.360 1.00 0.00 C ATOM 183 CG LEU A2574 -13.943 11.050 -4.349 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.791 11.931 -5.580 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.764 11.882 -3.082 1.00 0.00 C ATOM 0 H LEU A2574 -14.120 8.186 -3.857 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.518 10.058 -2.247 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -15.373 9.731 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -16.088 11.105 -4.440 1.00 0.00 H new ATOM 0 HG LEU A2574 -13.169 10.283 -4.365 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.819 12.423 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.867 11.318 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -14.579 12.684 -5.588 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.789 12.369 -3.101 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.547 12.639 -3.030 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.828 11.233 -2.209 1.00 0.00 H new ATOM 197 N GLU A2575 -17.277 7.727 -3.569 1.00 0.00 N ATOM 198 CA GLU A2575 -18.614 7.163 -3.641 1.00 0.00 C ATOM 199 C GLU A2575 -19.188 6.868 -2.258 1.00 0.00 C ATOM 200 O GLU A2575 -20.373 7.105 -2.005 1.00 0.00 O ATOM 201 CB GLU A2575 -18.624 5.922 -4.519 1.00 0.00 C ATOM 202 CG GLU A2575 -18.284 6.223 -5.961 1.00 0.00 C ATOM 203 CD GLU A2575 -19.276 7.166 -6.593 1.00 0.00 C ATOM 204 OE1 GLU A2575 -19.087 8.398 -6.523 1.00 0.00 O ATOM 205 OE2 GLU A2575 -20.274 6.695 -7.157 1.00 0.00 O ATOM 0 H GLU A2575 -16.530 7.082 -3.826 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.262 7.912 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -17.910 5.198 -4.126 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -19.609 5.457 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.286 6.658 -6.014 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -18.257 5.293 -6.528 1.00 0.00 H new ATOM 212 N ASP A2576 -18.359 6.380 -1.366 1.00 0.00 N ATOM 213 CA ASP A2576 -18.824 6.067 -0.013 1.00 0.00 C ATOM 214 C ASP A2576 -18.618 7.229 0.904 1.00 0.00 C ATOM 215 O ASP A2576 -19.346 7.402 1.880 1.00 0.00 O ATOM 216 CB ASP A2576 -18.095 4.878 0.597 1.00 0.00 C ATOM 217 CG ASP A2576 -18.321 3.587 -0.106 1.00 0.00 C ATOM 218 OD1 ASP A2576 -19.473 3.191 -0.284 1.00 0.00 O ATOM 219 OD2 ASP A2576 -17.324 2.936 -0.481 1.00 0.00 O ATOM 0 H ASP A2576 -17.372 6.189 -1.537 1.00 0.00 H new ATOM 0 HA ASP A2576 -19.883 5.829 -0.115 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -17.026 5.090 0.606 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -18.407 4.771 1.636 1.00 0.00 H new ATOM 224 N GLY A2577 -17.618 8.018 0.599 1.00 0.00 N ATOM 225 CA GLY A2577 -17.238 9.102 1.461 1.00 0.00 C ATOM 226 C GLY A2577 -16.318 8.589 2.543 1.00 0.00 C ATOM 227 O GLY A2577 -16.147 9.211 3.582 1.00 0.00 O ATOM 0 H GLY A2577 -17.052 7.927 -0.245 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.739 9.881 0.884 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -18.124 9.554 1.907 1.00 0.00 H new ATOM 231 N THR A2578 -15.735 7.439 2.287 1.00 0.00 N ATOM 232 CA THR A2578 -14.884 6.790 3.182 1.00 0.00 C ATOM 233 C THR A2578 -13.459 7.240 2.939 1.00 0.00 C ATOM 234 O THR A2578 -12.893 6.984 1.874 1.00 0.00 O ATOM 235 CB THR A2578 -14.989 5.298 2.916 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.305 4.823 3.208 1.00 0.00 O ATOM 237 CG2 THR A2578 -13.973 4.535 3.669 1.00 0.00 C ATOM 0 H THR A2578 -15.864 6.935 1.410 1.00 0.00 H new ATOM 0 HA THR A2578 -15.160 7.021 4.211 1.00 0.00 H new ATOM 0 HB THR A2578 -14.794 5.139 1.855 1.00 0.00 H new ATOM 0 HG1 THR A2578 -16.353 3.861 3.029 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.081 3.472 3.452 1.00 0.00 H new ATOM 0 HG22 THR A2578 -12.977 4.866 3.374 1.00 0.00 H new ATOM 0 HG23 THR A2578 -14.110 4.703 4.737 1.00 0.00 H new ATOM 245 N ARG A2579 -12.906 7.913 3.881 1.00 0.00 N ATOM 246 CA ARG A2579 -11.545 8.339 3.786 1.00 0.00 C ATOM 247 C ARG A2579 -10.742 7.656 4.815 1.00 0.00 C ATOM 248 O ARG A2579 -11.089 7.644 5.986 1.00 0.00 O ATOM 249 CB ARG A2579 -11.391 9.839 3.885 1.00 0.00 C ATOM 250 CG ARG A2579 -9.943 10.299 3.774 1.00 0.00 C ATOM 251 CD ARG A2579 -9.826 11.736 3.331 1.00 0.00 C ATOM 252 NE ARG A2579 -10.524 12.667 4.201 1.00 0.00 N ATOM 253 CZ ARG A2579 -10.632 13.977 3.970 1.00 0.00 C ATOM 254 NH1 ARG A2579 -9.966 14.549 2.954 1.00 0.00 N ATOM 255 NH2 ARG A2579 -11.382 14.709 4.767 1.00 0.00 N ATOM 0 H ARG A2579 -13.378 8.188 4.742 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.181 8.064 2.796 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -11.978 10.311 3.097 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -11.802 10.179 4.836 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.452 10.179 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -9.415 9.660 3.066 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -8.772 12.011 3.288 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.221 11.830 2.319 1.00 0.00 H new ATOM 0 HE ARG A2579 -10.960 12.295 5.044 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -9.371 13.981 2.351 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -10.055 15.551 2.786 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -11.871 14.274 5.549 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -11.474 15.711 4.602 1.00 0.00 H new ATOM 269 N LEU A2580 -9.686 7.090 4.389 1.00 0.00 N ATOM 270 CA LEU A2580 -8.872 6.319 5.227 1.00 0.00 C ATOM 271 C LEU A2580 -7.488 6.905 5.231 1.00 0.00 C ATOM 272 O LEU A2580 -6.761 6.820 4.238 1.00 0.00 O ATOM 273 CB LEU A2580 -8.876 4.905 4.692 1.00 0.00 C ATOM 274 CG LEU A2580 -10.266 4.314 4.474 1.00 0.00 C ATOM 275 CD1 LEU A2580 -10.178 3.006 3.750 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.011 4.169 5.798 1.00 0.00 C ATOM 0 H LEU A2580 -9.357 7.152 3.425 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.236 6.313 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.335 4.887 3.746 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.328 4.266 5.385 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.836 5.002 3.850 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -11.180 2.602 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -9.704 3.158 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -9.586 2.304 4.337 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -11.999 3.746 5.615 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -10.451 3.509 6.461 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -11.117 5.148 6.265 1.00 0.00 H new ATOM 288 N VAL A2581 -7.153 7.565 6.307 1.00 0.00 N ATOM 289 CA VAL A2581 -5.852 8.163 6.470 1.00 0.00 C ATOM 290 C VAL A2581 -5.279 7.690 7.795 1.00 0.00 C ATOM 291 O VAL A2581 -6.038 7.269 8.674 1.00 0.00 O ATOM 292 CB VAL A2581 -5.896 9.731 6.411 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.426 10.218 5.055 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.734 10.315 7.544 1.00 0.00 C ATOM 0 H VAL A2581 -7.778 7.705 7.101 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.216 7.850 5.642 1.00 0.00 H new ATOM 0 HB VAL A2581 -4.872 10.084 6.533 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.446 11.308 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -5.775 9.857 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.435 9.835 4.900 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.740 11.402 7.469 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.755 9.940 7.472 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.306 10.020 8.502 1.00 0.00 H new ATOM 304 N GLY A2582 -3.978 7.705 7.933 1.00 0.00 N ATOM 305 CA GLY A2582 -3.363 7.245 9.160 1.00 0.00 C ATOM 306 C GLY A2582 -3.489 5.743 9.298 1.00 0.00 C ATOM 307 O GLY A2582 -3.236 5.021 8.353 1.00 0.00 O ATOM 0 H GLY A2582 -3.325 8.027 7.219 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.310 7.528 9.172 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.834 7.733 10.013 1.00 0.00 H new ATOM 311 N GLU A2583 -3.947 5.284 10.434 1.00 0.00 N ATOM 312 CA GLU A2583 -4.101 3.858 10.666 1.00 0.00 C ATOM 313 C GLU A2583 -5.383 3.312 10.039 1.00 0.00 C ATOM 314 O GLU A2583 -5.554 2.112 9.914 1.00 0.00 O ATOM 315 CB GLU A2583 -3.968 3.486 12.142 1.00 0.00 C ATOM 316 CG GLU A2583 -4.865 4.254 13.083 1.00 0.00 C ATOM 317 CD GLU A2583 -4.725 3.763 14.487 1.00 0.00 C ATOM 318 OE1 GLU A2583 -3.733 4.114 15.166 1.00 0.00 O ATOM 319 OE2 GLU A2583 -5.582 2.987 14.938 1.00 0.00 O ATOM 0 H GLU A2583 -4.223 5.873 11.220 1.00 0.00 H new ATOM 0 HA GLU A2583 -3.271 3.369 10.157 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.179 2.422 12.252 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -2.933 3.639 12.447 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -4.618 5.315 13.040 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -5.902 4.155 12.762 1.00 0.00 H new ATOM 326 N ASP A2584 -6.301 4.202 9.689 1.00 0.00 N ATOM 327 CA ASP A2584 -7.536 3.791 9.006 1.00 0.00 C ATOM 328 C ASP A2584 -7.229 3.445 7.567 1.00 0.00 C ATOM 329 O ASP A2584 -7.968 2.710 6.916 1.00 0.00 O ATOM 330 CB ASP A2584 -8.612 4.890 9.024 1.00 0.00 C ATOM 331 CG ASP A2584 -9.131 5.229 10.397 1.00 0.00 C ATOM 332 OD1 ASP A2584 -9.956 4.468 10.938 1.00 0.00 O ATOM 333 OD2 ASP A2584 -8.716 6.269 10.963 1.00 0.00 O ATOM 0 H ASP A2584 -6.223 5.204 9.861 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.925 2.926 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -8.200 5.792 8.571 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.448 4.573 8.401 1.00 0.00 H new ATOM 338 N ALA A2585 -6.123 3.979 7.082 1.00 0.00 N ATOM 339 CA ALA A2585 -5.690 3.805 5.711 1.00 0.00 C ATOM 340 C ALA A2585 -5.258 2.370 5.441 1.00 0.00 C ATOM 341 O ALA A2585 -4.785 1.665 6.356 1.00 0.00 O ATOM 342 CB ALA A2585 -4.556 4.769 5.426 1.00 0.00 C ATOM 0 H ALA A2585 -5.492 4.554 7.640 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.528 4.018 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.223 4.645 4.395 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -4.902 5.792 5.575 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.726 4.564 6.102 1.00 0.00 H new ATOM 348 N PRO A2586 -5.463 1.888 4.203 1.00 0.00 N ATOM 349 CA PRO A2586 -5.023 0.560 3.789 1.00 0.00 C ATOM 350 C PRO A2586 -3.498 0.487 3.734 1.00 0.00 C ATOM 351 O PRO A2586 -2.822 1.499 3.493 1.00 0.00 O ATOM 352 CB PRO A2586 -5.613 0.395 2.381 1.00 0.00 C ATOM 353 CG PRO A2586 -5.813 1.784 1.892 1.00 0.00 C ATOM 354 CD PRO A2586 -6.153 2.600 3.104 1.00 0.00 C ATOM 0 HA PRO A2586 -5.345 -0.219 4.480 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.937 -0.160 1.731 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.554 -0.155 2.408 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -4.913 2.161 1.407 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.614 1.827 1.154 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -5.802 3.627 3.008 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.230 2.645 3.268 1.00 0.00 H new ATOM 362 N LYS A2587 -2.963 -0.676 3.988 1.00 0.00 N ATOM 363 CA LYS A2587 -1.537 -0.873 3.956 1.00 0.00 C ATOM 364 C LYS A2587 -1.080 -0.973 2.514 1.00 0.00 C ATOM 365 O LYS A2587 -1.836 -1.414 1.666 1.00 0.00 O ATOM 366 CB LYS A2587 -1.151 -2.140 4.723 1.00 0.00 C ATOM 367 CG LYS A2587 -1.579 -2.127 6.183 1.00 0.00 C ATOM 368 CD LYS A2587 -1.115 -3.359 6.948 1.00 0.00 C ATOM 369 CE LYS A2587 -1.653 -4.661 6.365 1.00 0.00 C ATOM 370 NZ LYS A2587 -3.133 -4.707 6.325 1.00 0.00 N ATOM 0 H LYS A2587 -3.499 -1.511 4.222 1.00 0.00 H new ATOM 0 HA LYS A2587 -1.048 -0.025 4.435 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.599 -3.003 4.230 1.00 0.00 H new ATOM 0 HB3 LYS A2587 -0.070 -2.270 4.672 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -1.180 -1.235 6.665 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -2.666 -2.060 6.237 1.00 0.00 H new ATOM 0 HD2 LYS A2587 -0.025 -3.391 6.948 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -1.432 -3.275 7.988 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -1.263 -4.789 5.355 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -1.284 -5.498 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -3.467 -5.565 6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -3.519 -3.868 6.803 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -3.453 -4.720 5.336 1.00 0.00 H new ATOM 384 N ASN A2588 0.140 -0.561 2.261 1.00 0.00 N ATOM 385 CA ASN A2588 0.770 -0.569 0.930 1.00 0.00 C ATOM 386 C ASN A2588 0.662 -1.938 0.252 1.00 0.00 C ATOM 387 O ASN A2588 0.424 -2.031 -0.952 1.00 0.00 O ATOM 388 CB ASN A2588 2.238 -0.128 1.070 1.00 0.00 C ATOM 389 CG ASN A2588 3.058 -0.168 -0.223 1.00 0.00 C ATOM 390 OD1 ASN A2588 2.545 0.008 -1.324 1.00 0.00 O ATOM 391 ND2 ASN A2588 4.347 -0.387 -0.087 1.00 0.00 N ATOM 0 H ASN A2588 0.754 -0.196 2.989 1.00 0.00 H new ATOM 0 HA ASN A2588 0.239 0.133 0.286 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.259 0.888 1.463 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.723 -0.766 1.809 1.00 0.00 H new ATOM 0 HD21 ASN A2588 4.949 -0.414 -0.910 1.00 0.00 H new ATOM 0 HD22 ASN A2588 4.745 -0.530 0.841 1.00 0.00 H new ATOM 398 N LYS A2589 0.773 -2.994 1.036 1.00 0.00 N ATOM 399 CA LYS A2589 0.651 -4.352 0.512 1.00 0.00 C ATOM 400 C LYS A2589 -0.791 -4.645 0.037 1.00 0.00 C ATOM 401 O LYS A2589 -1.002 -5.318 -0.981 1.00 0.00 O ATOM 402 CB LYS A2589 1.090 -5.377 1.569 1.00 0.00 C ATOM 403 CG LYS A2589 0.317 -5.279 2.882 1.00 0.00 C ATOM 404 CD LYS A2589 0.782 -6.286 3.924 1.00 0.00 C ATOM 405 CE LYS A2589 0.578 -7.720 3.464 1.00 0.00 C ATOM 406 NZ LYS A2589 0.894 -8.687 4.527 1.00 0.00 N ATOM 0 H LYS A2589 0.948 -2.943 2.040 1.00 0.00 H new ATOM 0 HA LYS A2589 1.309 -4.437 -0.352 1.00 0.00 H new ATOM 0 HB2 LYS A2589 0.968 -6.380 1.161 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.152 -5.242 1.773 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.424 -4.272 3.285 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.744 -5.433 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A2589 1.838 -6.122 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A2589 0.237 -6.123 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A2589 -0.456 -7.856 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.208 -7.916 2.596 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 0.742 -9.653 4.174 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 1.887 -8.575 4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 0.276 -8.517 5.346 1.00 0.00 H new ATOM 420 N ASP A2590 -1.763 -4.089 0.744 1.00 0.00 N ATOM 421 CA ASP A2590 -3.183 -4.328 0.473 1.00 0.00 C ATOM 422 C ASP A2590 -3.749 -3.264 -0.437 1.00 0.00 C ATOM 423 O ASP A2590 -4.915 -3.334 -0.825 1.00 0.00 O ATOM 424 CB ASP A2590 -4.016 -4.362 1.773 1.00 0.00 C ATOM 425 CG ASP A2590 -3.756 -5.566 2.658 1.00 0.00 C ATOM 426 OD1 ASP A2590 -2.852 -5.511 3.505 1.00 0.00 O ATOM 427 OD2 ASP A2590 -4.484 -6.582 2.541 1.00 0.00 O ATOM 0 H ASP A2590 -1.594 -3.456 1.526 1.00 0.00 H new ATOM 0 HA ASP A2590 -3.246 -5.301 -0.015 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.811 -3.457 2.344 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -5.074 -4.341 1.512 1.00 0.00 H new ATOM 432 N LEU A2591 -2.920 -2.280 -0.775 1.00 0.00 N ATOM 433 CA LEU A2591 -3.314 -1.153 -1.615 1.00 0.00 C ATOM 434 C LEU A2591 -3.857 -1.637 -2.946 1.00 0.00 C ATOM 435 O LEU A2591 -4.956 -1.280 -3.332 1.00 0.00 O ATOM 436 CB LEU A2591 -2.124 -0.221 -1.853 1.00 0.00 C ATOM 437 CG LEU A2591 -2.395 1.017 -2.713 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.358 1.965 -2.022 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.099 1.712 -3.087 1.00 0.00 C ATOM 0 H LEU A2591 -1.947 -2.242 -0.471 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.099 -0.604 -1.094 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.749 0.110 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.327 -0.797 -2.323 1.00 0.00 H new ATOM 0 HG LEU A2591 -2.871 0.688 -3.637 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.531 2.834 -2.657 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.304 1.454 -1.840 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -2.932 2.288 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.319 2.588 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.578 2.023 -2.181 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.468 1.026 -3.651 1.00 0.00 H new ATOM 451 N VAL A2592 -3.093 -2.486 -3.607 1.00 0.00 N ATOM 452 CA VAL A2592 -3.473 -3.044 -4.905 1.00 0.00 C ATOM 453 C VAL A2592 -4.837 -3.750 -4.842 1.00 0.00 C ATOM 454 O VAL A2592 -5.657 -3.634 -5.747 1.00 0.00 O ATOM 455 CB VAL A2592 -2.390 -4.018 -5.449 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.102 -3.269 -5.753 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.112 -5.138 -4.456 1.00 0.00 C ATOM 0 H VAL A2592 -2.189 -2.813 -3.265 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.555 -2.204 -5.595 1.00 0.00 H new ATOM 0 HB VAL A2592 -2.772 -4.458 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.356 -3.967 -6.133 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.296 -2.502 -6.503 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -0.730 -2.800 -4.842 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.351 -5.804 -4.862 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.758 -4.712 -3.517 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.028 -5.701 -4.276 1.00 0.00 H new ATOM 467 N GLU A2593 -5.082 -4.413 -3.732 1.00 0.00 N ATOM 468 CA GLU A2593 -6.306 -5.124 -3.502 1.00 0.00 C ATOM 469 C GLU A2593 -7.447 -4.155 -3.268 1.00 0.00 C ATOM 470 O GLU A2593 -8.530 -4.326 -3.807 1.00 0.00 O ATOM 471 CB GLU A2593 -6.144 -6.033 -2.300 1.00 0.00 C ATOM 472 CG GLU A2593 -5.163 -7.163 -2.511 1.00 0.00 C ATOM 473 CD GLU A2593 -5.573 -8.081 -3.640 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.493 -8.901 -3.450 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.974 -8.031 -4.729 1.00 0.00 O ATOM 0 H GLU A2593 -4.422 -4.470 -2.957 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.538 -5.723 -4.383 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -5.818 -5.437 -1.448 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.116 -6.453 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.177 -6.749 -2.723 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.075 -7.741 -1.591 1.00 0.00 H new ATOM 482 N TRP A2594 -7.176 -3.126 -2.488 1.00 0.00 N ATOM 483 CA TRP A2594 -8.166 -2.112 -2.150 1.00 0.00 C ATOM 484 C TRP A2594 -8.580 -1.361 -3.420 1.00 0.00 C ATOM 485 O TRP A2594 -9.738 -1.017 -3.602 1.00 0.00 O ATOM 486 CB TRP A2594 -7.571 -1.140 -1.120 1.00 0.00 C ATOM 487 CG TRP A2594 -8.595 -0.358 -0.363 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.216 -0.755 0.776 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.116 0.943 -0.664 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.097 0.193 1.193 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.058 1.248 0.337 1.00 0.00 C ATOM 492 CE3 TRP A2594 -8.893 1.880 -1.672 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.771 2.439 0.359 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.603 3.053 -1.639 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.527 3.330 -0.635 1.00 0.00 C ATOM 0 H TRP A2594 -6.261 -2.966 -2.068 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.048 -2.585 -1.718 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -6.962 -1.703 -0.413 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -6.904 -0.446 -1.632 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -9.036 -1.693 1.281 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.693 0.123 2.018 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.179 1.687 -2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.491 2.648 1.136 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.440 3.785 -2.416 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.059 4.270 -0.648 1.00 0.00 H new ATOM 506 N LEU A2595 -7.620 -1.176 -4.309 1.00 0.00 N ATOM 507 CA LEU A2595 -7.827 -0.505 -5.601 1.00 0.00 C ATOM 508 C LEU A2595 -8.731 -1.307 -6.511 1.00 0.00 C ATOM 509 O LEU A2595 -9.470 -0.754 -7.321 1.00 0.00 O ATOM 510 CB LEU A2595 -6.484 -0.239 -6.270 1.00 0.00 C ATOM 511 CG LEU A2595 -5.777 1.076 -5.911 1.00 0.00 C ATOM 512 CD1 LEU A2595 -5.968 1.458 -4.446 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.303 0.964 -6.237 1.00 0.00 C ATOM 0 H LEU A2595 -6.660 -1.487 -4.162 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.324 0.446 -5.411 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -5.814 -1.063 -6.024 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.633 -0.260 -7.350 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.230 1.869 -6.507 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.449 2.395 -4.244 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.031 1.580 -4.237 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.561 0.673 -3.809 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -3.802 1.898 -5.982 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -3.864 0.148 -5.663 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.180 0.765 -7.302 1.00 0.00 H new ATOM 525 N LYS A2596 -8.640 -2.606 -6.402 1.00 0.00 N ATOM 526 CA LYS A2596 -9.500 -3.495 -7.167 1.00 0.00 C ATOM 527 C LYS A2596 -10.913 -3.459 -6.596 1.00 0.00 C ATOM 528 O LYS A2596 -11.891 -3.607 -7.314 1.00 0.00 O ATOM 529 CB LYS A2596 -8.966 -4.925 -7.119 1.00 0.00 C ATOM 530 CG LYS A2596 -7.578 -5.090 -7.701 1.00 0.00 C ATOM 531 CD LYS A2596 -7.067 -6.499 -7.493 1.00 0.00 C ATOM 532 CE LYS A2596 -5.639 -6.668 -8.004 1.00 0.00 C ATOM 533 NZ LYS A2596 -5.523 -6.471 -9.467 1.00 0.00 N ATOM 0 H LYS A2596 -7.978 -3.082 -5.790 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.516 -3.160 -8.204 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -8.955 -5.262 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -9.654 -5.576 -7.659 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -7.597 -4.860 -8.766 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -6.897 -4.379 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -7.104 -6.746 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -7.722 -7.202 -8.007 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -4.990 -5.956 -7.494 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -5.282 -7.666 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -4.550 -6.681 -9.769 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -6.183 -7.109 -9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -5.754 -5.485 -9.704 1.00 0.00 H new ATOM 547 N LEU A2597 -10.998 -3.224 -5.302 1.00 0.00 N ATOM 548 CA LEU A2597 -12.267 -3.198 -4.596 1.00 0.00 C ATOM 549 C LEU A2597 -12.943 -1.829 -4.695 1.00 0.00 C ATOM 550 O LEU A2597 -14.156 -1.711 -4.472 1.00 0.00 O ATOM 551 CB LEU A2597 -12.065 -3.576 -3.121 1.00 0.00 C ATOM 552 CG LEU A2597 -11.447 -4.952 -2.847 1.00 0.00 C ATOM 553 CD1 LEU A2597 -11.263 -5.171 -1.359 1.00 0.00 C ATOM 554 CD2 LEU A2597 -12.296 -6.063 -3.448 1.00 0.00 C ATOM 0 H LEU A2597 -10.189 -3.045 -4.708 1.00 0.00 H new ATOM 0 HA LEU A2597 -12.921 -3.930 -5.071 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.432 -2.819 -2.658 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.033 -3.531 -2.621 1.00 0.00 H new ATOM 0 HG LEU A2597 -10.467 -4.979 -3.324 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -10.823 -6.153 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -10.603 -4.403 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -12.231 -5.115 -0.861 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.834 -7.028 -3.238 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -13.294 -6.036 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -12.369 -5.922 -4.526 1.00 0.00 H new ATOM 566 N HIS A2598 -12.171 -0.802 -5.001 1.00 0.00 N ATOM 567 CA HIS A2598 -12.687 0.557 -5.131 1.00 0.00 C ATOM 568 C HIS A2598 -12.167 1.217 -6.391 1.00 0.00 C ATOM 569 O HIS A2598 -11.160 1.917 -6.365 1.00 0.00 O ATOM 570 CB HIS A2598 -12.358 1.445 -3.914 1.00 0.00 C ATOM 571 CG HIS A2598 -13.037 1.039 -2.641 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.268 1.518 -2.236 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.637 0.186 -1.677 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.569 0.955 -1.069 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.610 0.131 -0.682 1.00 0.00 N ATOM 0 H HIS A2598 -11.168 -0.882 -5.167 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.771 0.461 -5.186 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.280 1.434 -3.754 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.635 2.473 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.709 -0.367 -1.676 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.475 1.145 -0.512 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.587 -0.430 0.170 1.00 0.00 H new ATOM 583 N PRO A2599 -12.831 0.995 -7.523 1.00 0.00 N ATOM 584 CA PRO A2599 -12.424 1.588 -8.797 1.00 0.00 C ATOM 585 C PRO A2599 -12.702 3.087 -8.827 1.00 0.00 C ATOM 586 O PRO A2599 -12.131 3.836 -9.619 1.00 0.00 O ATOM 587 CB PRO A2599 -13.308 0.871 -9.820 1.00 0.00 C ATOM 588 CG PRO A2599 -14.513 0.446 -9.052 1.00 0.00 C ATOM 589 CD PRO A2599 -14.025 0.130 -7.668 1.00 0.00 C ATOM 0 HA PRO A2599 -11.356 1.476 -8.985 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -13.577 1.533 -10.643 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.794 0.014 -10.255 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -15.263 1.237 -9.031 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.981 -0.425 -9.510 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.779 0.355 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.773 -0.925 -7.561 1.00 0.00 H new ATOM 597 N THR A2600 -13.558 3.512 -7.949 1.00 0.00 N ATOM 598 CA THR A2600 -13.985 4.869 -7.851 1.00 0.00 C ATOM 599 C THR A2600 -13.254 5.611 -6.730 1.00 0.00 C ATOM 600 O THR A2600 -13.703 6.674 -6.258 1.00 0.00 O ATOM 601 CB THR A2600 -15.495 4.869 -7.613 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.831 3.760 -6.739 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.247 4.735 -8.928 1.00 0.00 C ATOM 0 H THR A2600 -13.992 2.900 -7.258 1.00 0.00 H new ATOM 0 HA THR A2600 -13.747 5.395 -8.775 1.00 0.00 H new ATOM 0 HB THR A2600 -15.785 5.812 -7.150 1.00 0.00 H new ATOM 0 HG1 THR A2600 -15.580 3.982 -5.818 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.320 4.737 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A2600 -15.993 5.572 -9.579 1.00 0.00 H new ATOM 0 HG23 THR A2600 -15.967 3.800 -9.413 1.00 0.00 H new ATOM 611 N TYR A2601 -12.083 5.117 -6.359 1.00 0.00 N ATOM 612 CA TYR A2601 -11.368 5.723 -5.269 1.00 0.00 C ATOM 613 C TYR A2601 -10.507 6.875 -5.791 1.00 0.00 C ATOM 614 O TYR A2601 -10.308 7.028 -7.005 1.00 0.00 O ATOM 615 CB TYR A2601 -10.483 4.690 -4.537 1.00 0.00 C ATOM 616 CG TYR A2601 -9.071 4.565 -5.075 1.00 0.00 C ATOM 617 CD1 TYR A2601 -8.805 3.980 -6.301 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.007 5.064 -4.346 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.522 3.907 -6.783 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.728 4.989 -4.810 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.482 4.416 -6.028 1.00 0.00 C ATOM 622 OH TYR A2601 -5.186 4.360 -6.506 1.00 0.00 O ATOM 0 H TYR A2601 -11.623 4.316 -6.791 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.096 6.108 -4.555 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.432 4.959 -3.482 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -10.966 3.714 -4.594 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.618 3.576 -6.886 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.194 5.524 -3.387 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.327 3.456 -7.744 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.913 5.380 -4.219 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.578 4.763 -5.851 1.00 0.00 H new ATOM 632 N THR A2602 -10.030 7.670 -4.899 1.00 0.00 N ATOM 633 CA THR A2602 -9.178 8.767 -5.200 1.00 0.00 C ATOM 634 C THR A2602 -8.106 8.864 -4.101 1.00 0.00 C ATOM 635 O THR A2602 -8.383 8.571 -2.935 1.00 0.00 O ATOM 636 CB THR A2602 -10.028 10.056 -5.281 1.00 0.00 C ATOM 637 OG1 THR A2602 -11.035 9.876 -6.299 1.00 0.00 O ATOM 638 CG2 THR A2602 -9.182 11.261 -5.626 1.00 0.00 C ATOM 0 H THR A2602 -10.229 7.571 -3.904 1.00 0.00 H new ATOM 0 HA THR A2602 -8.681 8.630 -6.160 1.00 0.00 H new ATOM 0 HB THR A2602 -10.483 10.235 -4.307 1.00 0.00 H new ATOM 0 HG1 THR A2602 -11.479 10.732 -6.475 1.00 0.00 H new ATOM 0 HG21 THR A2602 -9.814 12.148 -5.674 1.00 0.00 H new ATOM 0 HG22 THR A2602 -8.418 11.401 -4.861 1.00 0.00 H new ATOM 0 HG23 THR A2602 -8.703 11.104 -6.592 1.00 0.00 H new ATOM 646 N VAL A2603 -6.895 9.200 -4.475 1.00 0.00 N ATOM 647 CA VAL A2603 -5.813 9.310 -3.526 1.00 0.00 C ATOM 648 C VAL A2603 -5.881 10.688 -2.870 1.00 0.00 C ATOM 649 O VAL A2603 -5.872 11.715 -3.567 1.00 0.00 O ATOM 650 CB VAL A2603 -4.432 9.120 -4.212 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.322 9.053 -3.186 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.415 7.877 -5.092 1.00 0.00 C ATOM 0 H VAL A2603 -6.632 9.404 -5.439 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.919 8.524 -2.778 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.263 9.988 -4.849 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.366 8.920 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.302 9.979 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.497 8.212 -2.515 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.435 7.774 -5.557 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.622 6.997 -4.483 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -5.176 7.969 -5.867 1.00 0.00 H new ATOM 662 N ASP A2604 -5.955 10.711 -1.553 1.00 0.00 N ATOM 663 CA ASP A2604 -6.113 11.967 -0.816 1.00 0.00 C ATOM 664 C ASP A2604 -4.776 12.686 -0.726 1.00 0.00 C ATOM 665 O ASP A2604 -4.675 13.888 -0.971 1.00 0.00 O ATOM 666 CB ASP A2604 -6.674 11.704 0.588 1.00 0.00 C ATOM 667 CG ASP A2604 -7.005 12.981 1.333 1.00 0.00 C ATOM 668 OD1 ASP A2604 -6.128 13.547 2.002 1.00 0.00 O ATOM 669 OD2 ASP A2604 -8.170 13.435 1.261 1.00 0.00 O ATOM 0 H ASP A2604 -5.909 9.879 -0.965 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.820 12.600 -1.352 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.572 11.092 0.507 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -5.948 11.130 1.164 1.00 0.00 H new