USER MOD reduce.3.24.130724 H: found=0, std=0, add=322, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 321 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2573 ASN : amide:sc= -3.01! C(o=-1.5!,f=-12!) USER MOD Set 1.2: A2598 HIS : no HD1:sc=-0.00631 K(o=-1.5,f=-3.3) USER MOD Set 1.3: A2600 THR OG1 : rot 158:sc= 1.48 USER MOD Single : A2567 THR OG1 : rot 180:sc= 0 USER MOD Single : A2578 THR OG1 : rot 180:sc= 0.0689 USER MOD Single : A2587 LYS NZ :NH3+ -125:sc= 0.202 (180deg=-0.0168) USER MOD Single : A2588 ASN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A2589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2601 TYR OH : rot 180:sc= 0 USER MOD Single : A2602 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N PRO A2565 5.834 -1.831 2.455 1.00 0.00 N ATOM 33 CA PRO A2565 4.571 -2.562 2.680 1.00 0.00 C ATOM 34 C PRO A2565 3.850 -2.141 3.983 1.00 0.00 C ATOM 35 O PRO A2565 2.626 -2.290 4.100 1.00 0.00 O ATOM 36 CB PRO A2565 5.032 -4.013 2.795 1.00 0.00 C ATOM 37 CG PRO A2565 6.256 -4.085 1.958 1.00 0.00 C ATOM 38 CD PRO A2565 6.940 -2.755 2.104 1.00 0.00 C ATOM 0 HA PRO A2565 3.851 -2.371 1.884 1.00 0.00 H new ATOM 0 HB2 PRO A2565 5.243 -4.281 3.830 1.00 0.00 H new ATOM 0 HB3 PRO A2565 4.266 -4.702 2.438 1.00 0.00 H new ATOM 0 HG2 PRO A2565 6.906 -4.896 2.287 1.00 0.00 H new ATOM 0 HG3 PRO A2565 6.004 -4.281 0.916 1.00 0.00 H new ATOM 0 HD2 PRO A2565 7.704 -2.780 2.881 1.00 0.00 H new ATOM 0 HD3 PRO A2565 7.435 -2.455 1.180 1.00 0.00 H new ATOM 46 N ASP A2566 4.616 -1.593 4.928 1.00 0.00 N ATOM 47 CA ASP A2566 4.095 -1.173 6.228 1.00 0.00 C ATOM 48 C ASP A2566 3.503 0.244 6.170 1.00 0.00 C ATOM 49 O ASP A2566 2.659 0.622 7.003 1.00 0.00 O ATOM 50 CB ASP A2566 5.222 -1.235 7.254 1.00 0.00 C ATOM 51 CG ASP A2566 4.832 -0.768 8.628 1.00 0.00 C ATOM 52 OD1 ASP A2566 4.243 -1.553 9.393 1.00 0.00 O ATOM 53 OD2 ASP A2566 5.145 0.387 8.991 1.00 0.00 O ATOM 0 H ASP A2566 5.616 -1.428 4.812 1.00 0.00 H new ATOM 0 HA ASP A2566 3.289 -1.848 6.517 1.00 0.00 H new ATOM 0 HB2 ASP A2566 5.582 -2.262 7.320 1.00 0.00 H new ATOM 0 HB3 ASP A2566 6.055 -0.628 6.899 1.00 0.00 H new ATOM 58 N THR A2567 3.920 1.004 5.178 1.00 0.00 N ATOM 59 CA THR A2567 3.475 2.365 5.002 1.00 0.00 C ATOM 60 C THR A2567 1.982 2.377 4.630 1.00 0.00 C ATOM 61 O THR A2567 1.499 1.477 3.924 1.00 0.00 O ATOM 62 CB THR A2567 4.306 3.043 3.885 1.00 0.00 C ATOM 63 OG1 THR A2567 5.705 2.824 4.146 1.00 0.00 O ATOM 64 CG2 THR A2567 4.047 4.545 3.829 1.00 0.00 C ATOM 0 H THR A2567 4.582 0.689 4.468 1.00 0.00 H new ATOM 0 HA THR A2567 3.614 2.916 5.932 1.00 0.00 H new ATOM 0 HB THR A2567 4.013 2.607 2.930 1.00 0.00 H new ATOM 0 HG1 THR A2567 6.239 3.248 3.443 1.00 0.00 H new ATOM 0 HG21 THR A2567 4.647 4.988 3.034 1.00 0.00 H new ATOM 0 HG22 THR A2567 2.991 4.725 3.630 1.00 0.00 H new ATOM 0 HG23 THR A2567 4.319 4.997 4.783 1.00 0.00 H new ATOM 72 N ARG A2568 1.264 3.347 5.132 1.00 0.00 N ATOM 73 CA ARG A2568 -0.141 3.475 4.862 1.00 0.00 C ATOM 74 C ARG A2568 -0.346 4.357 3.665 1.00 0.00 C ATOM 75 O ARG A2568 0.471 5.239 3.387 1.00 0.00 O ATOM 76 CB ARG A2568 -0.855 4.095 6.048 1.00 0.00 C ATOM 77 CG ARG A2568 -0.820 3.283 7.321 1.00 0.00 C ATOM 78 CD ARG A2568 -1.586 1.987 7.186 1.00 0.00 C ATOM 79 NE ARG A2568 -1.650 1.275 8.475 1.00 0.00 N ATOM 80 CZ ARG A2568 -2.321 0.133 8.714 1.00 0.00 C ATOM 81 NH1 ARG A2568 -3.184 -0.352 7.811 1.00 0.00 N ATOM 82 NH2 ARG A2568 -2.203 -0.456 9.895 1.00 0.00 N ATOM 0 H ARG A2568 1.640 4.073 5.742 1.00 0.00 H new ATOM 0 HA ARG A2568 -0.547 2.481 4.673 1.00 0.00 H new ATOM 0 HB2 ARG A2568 -0.413 5.071 6.247 1.00 0.00 H new ATOM 0 HB3 ARG A2568 -1.896 4.267 5.775 1.00 0.00 H new ATOM 0 HG2 ARG A2568 0.215 3.067 7.585 1.00 0.00 H new ATOM 0 HG3 ARG A2568 -1.241 3.870 8.137 1.00 0.00 H new ATOM 0 HD2 ARG A2568 -2.595 2.192 6.829 1.00 0.00 H new ATOM 0 HD3 ARG A2568 -1.107 1.353 6.440 1.00 0.00 H new ATOM 0 HE ARG A2568 -1.139 1.685 9.257 1.00 0.00 H new ATOM 0 HH11 ARG A2568 -3.337 0.145 6.934 1.00 0.00 H new ATOM 0 HH12 ARG A2568 -3.688 -1.218 8.001 1.00 0.00 H new ATOM 0 HH21 ARG A2568 -1.608 -0.044 10.613 1.00 0.00 H new ATOM 0 HH22 ARG A2568 -2.707 -1.322 10.086 1.00 0.00 H new ATOM 96 N ILE A2569 -1.413 4.128 2.957 1.00 0.00 N ATOM 97 CA ILE A2569 -1.749 4.938 1.841 1.00 0.00 C ATOM 98 C ILE A2569 -3.089 5.583 2.164 1.00 0.00 C ATOM 99 O ILE A2569 -4.135 4.935 2.072 1.00 0.00 O ATOM 100 CB ILE A2569 -1.906 4.094 0.548 1.00 0.00 C ATOM 101 CG1 ILE A2569 -0.732 3.103 0.377 1.00 0.00 C ATOM 102 CG2 ILE A2569 -1.999 5.016 -0.672 1.00 0.00 C ATOM 103 CD1 ILE A2569 0.629 3.741 0.179 1.00 0.00 C ATOM 0 H ILE A2569 -2.071 3.371 3.144 1.00 0.00 H new ATOM 0 HA ILE A2569 -0.960 5.669 1.666 1.00 0.00 H new ATOM 0 HB ILE A2569 -2.825 3.514 0.633 1.00 0.00 H new ATOM 0 HG12 ILE A2569 -0.689 2.460 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A2569 -0.942 2.460 -0.478 1.00 0.00 H new ATOM 0 HG21 ILE A2569 -2.109 4.415 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A2569 -2.862 5.673 -0.566 1.00 0.00 H new ATOM 0 HG23 ILE A2569 -1.092 5.617 -0.744 1.00 0.00 H new ATOM 0 HD11 ILE A2569 1.383 2.962 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A2569 0.614 4.360 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A2569 0.870 4.360 1.043 1.00 0.00 H new ATOM 115 N PRO A2570 -3.069 6.828 2.616 1.00 0.00 N ATOM 116 CA PRO A2570 -4.278 7.561 2.923 1.00 0.00 C ATOM 117 C PRO A2570 -5.061 7.881 1.655 1.00 0.00 C ATOM 118 O PRO A2570 -4.628 8.685 0.804 1.00 0.00 O ATOM 119 CB PRO A2570 -3.801 8.834 3.642 1.00 0.00 C ATOM 120 CG PRO A2570 -2.321 8.682 3.819 1.00 0.00 C ATOM 121 CD PRO A2570 -1.863 7.593 2.891 1.00 0.00 C ATOM 0 HA PRO A2570 -4.962 6.986 3.547 1.00 0.00 H new ATOM 0 HB2 PRO A2570 -4.034 9.723 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A2570 -4.299 8.947 4.605 1.00 0.00 H new ATOM 0 HG2 PRO A2570 -1.810 9.618 3.593 1.00 0.00 H new ATOM 0 HG3 PRO A2570 -2.083 8.430 4.852 1.00 0.00 H new ATOM 0 HD2 PRO A2570 -1.434 8.003 1.977 1.00 0.00 H new ATOM 0 HD3 PRO A2570 -1.095 6.973 3.353 1.00 0.00 H new ATOM 129 N VAL A2571 -6.187 7.227 1.517 1.00 0.00 N ATOM 130 CA VAL A2571 -7.030 7.343 0.349 1.00 0.00 C ATOM 131 C VAL A2571 -8.467 7.598 0.759 1.00 0.00 C ATOM 132 O VAL A2571 -8.819 7.489 1.948 1.00 0.00 O ATOM 133 CB VAL A2571 -6.973 6.065 -0.546 1.00 0.00 C ATOM 134 CG1 VAL A2571 -5.592 5.869 -1.148 1.00 0.00 C ATOM 135 CG2 VAL A2571 -7.367 4.829 0.248 1.00 0.00 C ATOM 0 H VAL A2571 -6.551 6.588 2.224 1.00 0.00 H new ATOM 0 HA VAL A2571 -6.652 8.184 -0.233 1.00 0.00 H new ATOM 0 HB VAL A2571 -7.686 6.208 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A2571 -5.588 4.970 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A2571 -5.337 6.732 -1.763 1.00 0.00 H new ATOM 0 HG13 VAL A2571 -4.858 5.763 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A2571 -7.320 3.952 -0.397 1.00 0.00 H new ATOM 0 HG22 VAL A2571 -6.681 4.701 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A2571 -8.383 4.947 0.625 1.00 0.00 H new ATOM 145 N ILE A2572 -9.289 7.924 -0.200 1.00 0.00 N ATOM 146 CA ILE A2572 -10.675 8.195 0.053 1.00 0.00 C ATOM 147 C ILE A2572 -11.527 7.684 -1.118 1.00 0.00 C ATOM 148 O ILE A2572 -11.110 7.748 -2.279 1.00 0.00 O ATOM 149 CB ILE A2572 -10.922 9.726 0.332 1.00 0.00 C ATOM 150 CG1 ILE A2572 -12.413 10.008 0.627 1.00 0.00 C ATOM 151 CG2 ILE A2572 -10.398 10.600 -0.805 1.00 0.00 C ATOM 152 CD1 ILE A2572 -12.754 11.460 0.878 1.00 0.00 C ATOM 0 H ILE A2572 -9.016 8.009 -1.179 1.00 0.00 H new ATOM 0 HA ILE A2572 -10.976 7.662 0.955 1.00 0.00 H new ATOM 0 HB ILE A2572 -10.355 9.991 1.224 1.00 0.00 H new ATOM 0 HG12 ILE A2572 -13.007 9.651 -0.214 1.00 0.00 H new ATOM 0 HG13 ILE A2572 -12.712 9.425 1.498 1.00 0.00 H new ATOM 0 HG21 ILE A2572 -10.587 11.648 -0.575 1.00 0.00 H new ATOM 0 HG22 ILE A2572 -9.326 10.442 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A2572 -10.906 10.335 -1.732 1.00 0.00 H new ATOM 0 HD11 ILE A2572 -13.822 11.554 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A2572 -12.193 11.822 1.740 1.00 0.00 H new ATOM 0 HD13 ILE A2572 -12.493 12.052 0.001 1.00 0.00 H new ATOM 164 N ASN A2573 -12.672 7.134 -0.799 1.00 0.00 N ATOM 165 CA ASN A2573 -13.595 6.608 -1.782 1.00 0.00 C ATOM 166 C ASN A2573 -14.535 7.725 -2.190 1.00 0.00 C ATOM 167 O ASN A2573 -15.212 8.295 -1.341 1.00 0.00 O ATOM 168 CB ASN A2573 -14.434 5.465 -1.191 1.00 0.00 C ATOM 169 CG ASN A2573 -15.203 4.703 -2.265 1.00 0.00 C ATOM 170 OD1 ASN A2573 -15.456 5.225 -3.344 1.00 0.00 O ATOM 171 ND2 ASN A2573 -15.654 3.519 -1.956 1.00 0.00 N ATOM 0 H ASN A2573 -12.997 7.036 0.163 1.00 0.00 H new ATOM 0 HA ASN A2573 -13.029 6.227 -2.632 1.00 0.00 H new ATOM 0 HB2 ASN A2573 -13.781 4.776 -0.656 1.00 0.00 H new ATOM 0 HB3 ASN A2573 -15.136 5.870 -0.462 1.00 0.00 H new ATOM 0 HD21 ASN A2573 -16.233 3.004 -2.620 1.00 0.00 H new ATOM 0 HD22 ASN A2573 -15.428 3.108 -1.050 1.00 0.00 H new ATOM 178 N LEU A2574 -14.619 8.006 -3.468 1.00 0.00 N ATOM 179 CA LEU A2574 -15.450 9.091 -3.945 1.00 0.00 C ATOM 180 C LEU A2574 -16.906 8.684 -4.127 1.00 0.00 C ATOM 181 O LEU A2574 -17.766 9.553 -4.276 1.00 0.00 O ATOM 182 CB LEU A2574 -14.901 9.697 -5.238 1.00 0.00 C ATOM 183 CG LEU A2574 -13.560 10.421 -5.137 1.00 0.00 C ATOM 184 CD1 LEU A2574 -13.118 10.897 -6.512 1.00 0.00 C ATOM 185 CD2 LEU A2574 -13.656 11.602 -4.174 1.00 0.00 C ATOM 0 H LEU A2574 -14.122 7.499 -4.200 1.00 0.00 H new ATOM 0 HA LEU A2574 -15.421 9.853 -3.166 1.00 0.00 H new ATOM 0 HB2 LEU A2574 -14.803 8.899 -5.974 1.00 0.00 H new ATOM 0 HB3 LEU A2574 -15.639 10.399 -5.626 1.00 0.00 H new ATOM 0 HG LEU A2574 -12.818 9.722 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A2574 -12.161 11.412 -6.429 1.00 0.00 H new ATOM 0 HD12 LEU A2574 -13.012 10.040 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A2574 -13.864 11.581 -6.917 1.00 0.00 H new ATOM 0 HD21 LEU A2574 -12.690 12.104 -4.116 1.00 0.00 H new ATOM 0 HD22 LEU A2574 -14.409 12.304 -4.533 1.00 0.00 H new ATOM 0 HD23 LEU A2574 -13.937 11.242 -3.184 1.00 0.00 H new ATOM 197 N GLU A2575 -17.202 7.386 -4.118 1.00 0.00 N ATOM 198 CA GLU A2575 -18.594 6.963 -4.282 1.00 0.00 C ATOM 199 C GLU A2575 -19.355 7.204 -2.978 1.00 0.00 C ATOM 200 O GLU A2575 -20.497 7.661 -2.975 1.00 0.00 O ATOM 201 CB GLU A2575 -18.712 5.482 -4.727 1.00 0.00 C ATOM 202 CG GLU A2575 -18.350 4.462 -3.669 1.00 0.00 C ATOM 203 CD GLU A2575 -18.381 3.039 -4.134 1.00 0.00 C ATOM 204 OE1 GLU A2575 -19.479 2.467 -4.265 1.00 0.00 O ATOM 205 OE2 GLU A2575 -17.305 2.456 -4.342 1.00 0.00 O ATOM 0 H GLU A2575 -16.525 6.631 -4.003 1.00 0.00 H new ATOM 0 HA GLU A2575 -19.037 7.560 -5.079 1.00 0.00 H new ATOM 0 HB2 GLU A2575 -19.736 5.297 -5.052 1.00 0.00 H new ATOM 0 HB3 GLU A2575 -18.069 5.327 -5.594 1.00 0.00 H new ATOM 0 HG2 GLU A2575 -17.351 4.686 -3.295 1.00 0.00 H new ATOM 0 HG3 GLU A2575 -19.037 4.570 -2.829 1.00 0.00 H new ATOM 212 N ASP A2576 -18.689 6.950 -1.872 1.00 0.00 N ATOM 213 CA ASP A2576 -19.303 7.096 -0.556 1.00 0.00 C ATOM 214 C ASP A2576 -18.851 8.359 0.132 1.00 0.00 C ATOM 215 O ASP A2576 -19.676 9.160 0.582 1.00 0.00 O ATOM 216 CB ASP A2576 -19.007 5.897 0.361 1.00 0.00 C ATOM 217 CG ASP A2576 -19.652 4.605 -0.077 1.00 0.00 C ATOM 218 OD1 ASP A2576 -20.877 4.467 0.059 1.00 0.00 O ATOM 219 OD2 ASP A2576 -18.934 3.679 -0.517 1.00 0.00 O ATOM 0 H ASP A2576 -17.718 6.640 -1.851 1.00 0.00 H new ATOM 0 HA ASP A2576 -20.377 7.145 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A2576 -17.928 5.752 0.412 1.00 0.00 H new ATOM 0 HB3 ASP A2576 -19.345 6.134 1.370 1.00 0.00 H new ATOM 224 N GLY A2577 -17.554 8.563 0.177 1.00 0.00 N ATOM 225 CA GLY A2577 -16.990 9.682 0.902 1.00 0.00 C ATOM 226 C GLY A2577 -16.082 9.197 2.016 1.00 0.00 C ATOM 227 O GLY A2577 -15.493 9.997 2.746 1.00 0.00 O ATOM 0 H GLY A2577 -16.866 7.966 -0.282 1.00 0.00 H new ATOM 0 HA2 GLY A2577 -16.427 10.318 0.219 1.00 0.00 H new ATOM 0 HA3 GLY A2577 -17.791 10.292 1.319 1.00 0.00 H new ATOM 231 N THR A2578 -15.991 7.877 2.142 1.00 0.00 N ATOM 232 CA THR A2578 -15.194 7.203 3.103 1.00 0.00 C ATOM 233 C THR A2578 -13.723 7.590 2.950 1.00 0.00 C ATOM 234 O THR A2578 -13.186 7.470 1.872 1.00 0.00 O ATOM 235 CB THR A2578 -15.322 5.740 2.795 1.00 0.00 C ATOM 236 OG1 THR A2578 -16.713 5.411 2.639 1.00 0.00 O ATOM 237 CG2 THR A2578 -14.736 4.964 3.894 1.00 0.00 C ATOM 0 H THR A2578 -16.505 7.237 1.536 1.00 0.00 H new ATOM 0 HA THR A2578 -15.518 7.457 4.112 1.00 0.00 H new ATOM 0 HB THR A2578 -14.795 5.503 1.871 1.00 0.00 H new ATOM 0 HG1 THR A2578 -16.803 4.456 2.436 1.00 0.00 H new ATOM 0 HG21 THR A2578 -14.826 3.900 3.676 1.00 0.00 H new ATOM 0 HG22 THR A2578 -13.683 5.225 4.002 1.00 0.00 H new ATOM 0 HG23 THR A2578 -15.263 5.190 4.821 1.00 0.00 H new ATOM 245 N ARG A2579 -13.064 7.919 4.030 1.00 0.00 N ATOM 246 CA ARG A2579 -11.743 8.450 3.962 1.00 0.00 C ATOM 247 C ARG A2579 -10.937 7.723 4.963 1.00 0.00 C ATOM 248 O ARG A2579 -11.279 7.696 6.145 1.00 0.00 O ATOM 249 CB ARG A2579 -11.756 9.949 4.275 1.00 0.00 C ATOM 250 CG ARG A2579 -10.407 10.612 4.120 1.00 0.00 C ATOM 251 CD ARG A2579 -10.460 12.098 4.422 1.00 0.00 C ATOM 252 NE ARG A2579 -9.151 12.728 4.210 1.00 0.00 N ATOM 253 CZ ARG A2579 -8.422 13.398 5.117 1.00 0.00 C ATOM 254 NH1 ARG A2579 -8.904 13.654 6.327 1.00 0.00 N ATOM 255 NH2 ARG A2579 -7.203 13.814 4.792 1.00 0.00 N ATOM 0 H ARG A2579 -13.434 7.824 4.976 1.00 0.00 H new ATOM 0 HA ARG A2579 -11.325 8.328 2.963 1.00 0.00 H new ATOM 0 HB2 ARG A2579 -12.472 10.443 3.617 1.00 0.00 H new ATOM 0 HB3 ARG A2579 -12.108 10.095 5.296 1.00 0.00 H new ATOM 0 HG2 ARG A2579 -9.690 10.133 4.787 1.00 0.00 H new ATOM 0 HG3 ARG A2579 -10.045 10.463 3.103 1.00 0.00 H new ATOM 0 HD2 ARG A2579 -11.204 12.575 3.784 1.00 0.00 H new ATOM 0 HD3 ARG A2579 -10.778 12.251 5.453 1.00 0.00 H new ATOM 0 HE ARG A2579 -8.753 12.648 3.274 1.00 0.00 H new ATOM 0 HH11 ARG A2579 -9.841 13.341 6.579 1.00 0.00 H new ATOM 0 HH12 ARG A2579 -8.337 14.164 7.004 1.00 0.00 H new ATOM 0 HH21 ARG A2579 -6.830 13.624 3.862 1.00 0.00 H new ATOM 0 HH22 ARG A2579 -6.640 14.324 5.473 1.00 0.00 H new ATOM 269 N LEU A2580 -9.881 7.141 4.529 1.00 0.00 N ATOM 270 CA LEU A2580 -9.111 6.310 5.378 1.00 0.00 C ATOM 271 C LEU A2580 -7.708 6.819 5.400 1.00 0.00 C ATOM 272 O LEU A2580 -6.980 6.713 4.409 1.00 0.00 O ATOM 273 CB LEU A2580 -9.165 4.835 4.914 1.00 0.00 C ATOM 274 CG LEU A2580 -10.566 4.204 4.678 1.00 0.00 C ATOM 275 CD1 LEU A2580 -11.541 4.453 5.817 1.00 0.00 C ATOM 276 CD2 LEU A2580 -11.136 4.561 3.308 1.00 0.00 C ATOM 0 H LEU A2580 -9.526 7.227 3.577 1.00 0.00 H new ATOM 0 HA LEU A2580 -9.523 6.339 6.387 1.00 0.00 H new ATOM 0 HB2 LEU A2580 -8.600 4.754 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A2580 -8.645 4.230 5.657 1.00 0.00 H new ATOM 0 HG LEU A2580 -10.413 3.125 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A2580 -12.498 3.985 5.586 1.00 0.00 H new ATOM 0 HD12 LEU A2580 -11.142 4.027 6.737 1.00 0.00 H new ATOM 0 HD13 LEU A2580 -11.684 5.526 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A2580 -12.115 4.098 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A2580 -11.234 5.643 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A2580 -10.466 4.197 2.529 1.00 0.00 H new ATOM 288 N VAL A2581 -7.346 7.425 6.492 1.00 0.00 N ATOM 289 CA VAL A2581 -6.039 7.994 6.658 1.00 0.00 C ATOM 290 C VAL A2581 -5.440 7.457 7.957 1.00 0.00 C ATOM 291 O VAL A2581 -6.185 6.953 8.811 1.00 0.00 O ATOM 292 CB VAL A2581 -6.082 9.563 6.658 1.00 0.00 C ATOM 293 CG1 VAL A2581 -6.693 10.101 5.359 1.00 0.00 C ATOM 294 CG2 VAL A2581 -6.854 10.102 7.848 1.00 0.00 C ATOM 0 H VAL A2581 -7.955 7.540 7.302 1.00 0.00 H new ATOM 0 HA VAL A2581 -5.412 7.705 5.815 1.00 0.00 H new ATOM 0 HB VAL A2581 -5.050 9.907 6.732 1.00 0.00 H new ATOM 0 HG11 VAL A2581 -6.709 11.190 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A2581 -6.094 9.770 4.511 1.00 0.00 H new ATOM 0 HG13 VAL A2581 -7.711 9.726 5.253 1.00 0.00 H new ATOM 0 HG21 VAL A2581 -6.862 11.191 7.813 1.00 0.00 H new ATOM 0 HG22 VAL A2581 -7.878 9.731 7.816 1.00 0.00 H new ATOM 0 HG23 VAL A2581 -6.377 9.772 8.771 1.00 0.00 H new ATOM 304 N GLY A2582 -4.132 7.524 8.091 1.00 0.00 N ATOM 305 CA GLY A2582 -3.467 6.989 9.266 1.00 0.00 C ATOM 306 C GLY A2582 -3.469 5.478 9.234 1.00 0.00 C ATOM 307 O GLY A2582 -3.365 4.890 8.168 1.00 0.00 O ATOM 0 H GLY A2582 -3.506 7.943 7.403 1.00 0.00 H new ATOM 0 HA2 GLY A2582 -2.442 7.356 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A2582 -3.970 7.340 10.167 1.00 0.00 H new ATOM 311 N GLU A2583 -3.651 4.847 10.374 1.00 0.00 N ATOM 312 CA GLU A2583 -3.699 3.397 10.450 1.00 0.00 C ATOM 313 C GLU A2583 -4.981 2.863 9.872 1.00 0.00 C ATOM 314 O GLU A2583 -5.080 1.695 9.513 1.00 0.00 O ATOM 315 CB GLU A2583 -3.535 2.941 11.870 1.00 0.00 C ATOM 316 CG GLU A2583 -2.132 3.096 12.368 1.00 0.00 C ATOM 317 CD GLU A2583 -1.180 2.178 11.628 1.00 0.00 C ATOM 318 OE1 GLU A2583 -1.155 0.967 11.924 1.00 0.00 O ATOM 319 OE2 GLU A2583 -0.458 2.644 10.708 1.00 0.00 O ATOM 0 H GLU A2583 -3.770 5.318 11.271 1.00 0.00 H new ATOM 0 HA GLU A2583 -2.874 3.003 9.857 1.00 0.00 H new ATOM 0 HB2 GLU A2583 -4.208 3.511 12.510 1.00 0.00 H new ATOM 0 HB3 GLU A2583 -3.830 1.895 11.948 1.00 0.00 H new ATOM 0 HG2 GLU A2583 -1.812 4.131 12.245 1.00 0.00 H new ATOM 0 HG3 GLU A2583 -2.096 2.877 13.435 1.00 0.00 H new ATOM 326 N ASP A2584 -5.963 3.727 9.787 1.00 0.00 N ATOM 327 CA ASP A2584 -7.247 3.396 9.162 1.00 0.00 C ATOM 328 C ASP A2584 -7.075 3.210 7.669 1.00 0.00 C ATOM 329 O ASP A2584 -7.895 2.574 7.011 1.00 0.00 O ATOM 330 CB ASP A2584 -8.309 4.476 9.411 1.00 0.00 C ATOM 331 CG ASP A2584 -8.843 4.506 10.820 1.00 0.00 C ATOM 332 OD1 ASP A2584 -8.239 5.170 11.694 1.00 0.00 O ATOM 333 OD2 ASP A2584 -9.902 3.894 11.077 1.00 0.00 O ATOM 0 H ASP A2584 -5.908 4.681 10.144 1.00 0.00 H new ATOM 0 HA ASP A2584 -7.590 2.468 9.619 1.00 0.00 H new ATOM 0 HB2 ASP A2584 -7.881 5.451 9.176 1.00 0.00 H new ATOM 0 HB3 ASP A2584 -9.140 4.318 8.723 1.00 0.00 H new ATOM 338 N ALA A2585 -6.003 3.760 7.143 1.00 0.00 N ATOM 339 CA ALA A2585 -5.697 3.672 5.741 1.00 0.00 C ATOM 340 C ALA A2585 -5.180 2.279 5.397 1.00 0.00 C ATOM 341 O ALA A2585 -4.595 1.591 6.252 1.00 0.00 O ATOM 342 CB ALA A2585 -4.656 4.710 5.383 1.00 0.00 C ATOM 0 H ALA A2585 -5.316 4.284 7.685 1.00 0.00 H new ATOM 0 HA ALA A2585 -6.606 3.857 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A2585 -4.425 4.642 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A2585 -5.041 5.704 5.608 1.00 0.00 H new ATOM 0 HB3 ALA A2585 -3.750 4.532 5.963 1.00 0.00 H new ATOM 348 N PRO A2586 -5.428 1.813 4.181 1.00 0.00 N ATOM 349 CA PRO A2586 -4.888 0.548 3.717 1.00 0.00 C ATOM 350 C PRO A2586 -3.355 0.627 3.607 1.00 0.00 C ATOM 351 O PRO A2586 -2.793 1.691 3.287 1.00 0.00 O ATOM 352 CB PRO A2586 -5.527 0.350 2.329 1.00 0.00 C ATOM 353 CG PRO A2586 -6.026 1.697 1.916 1.00 0.00 C ATOM 354 CD PRO A2586 -6.279 2.468 3.172 1.00 0.00 C ATOM 0 HA PRO A2586 -5.106 -0.277 4.395 1.00 0.00 H new ATOM 0 HB2 PRO A2586 -4.799 -0.034 1.614 1.00 0.00 H new ATOM 0 HB3 PRO A2586 -6.342 -0.373 2.373 1.00 0.00 H new ATOM 0 HG2 PRO A2586 -5.292 2.206 1.291 1.00 0.00 H new ATOM 0 HG3 PRO A2586 -6.939 1.607 1.327 1.00 0.00 H new ATOM 0 HD2 PRO A2586 -6.017 3.519 3.053 1.00 0.00 H new ATOM 0 HD3 PRO A2586 -7.331 2.432 3.455 1.00 0.00 H new ATOM 362 N LYS A2587 -2.683 -0.461 3.929 1.00 0.00 N ATOM 363 CA LYS A2587 -1.240 -0.517 3.815 1.00 0.00 C ATOM 364 C LYS A2587 -0.857 -0.596 2.362 1.00 0.00 C ATOM 365 O LYS A2587 -1.645 -1.057 1.533 1.00 0.00 O ATOM 366 CB LYS A2587 -0.631 -1.718 4.568 1.00 0.00 C ATOM 367 CG LYS A2587 -0.771 -1.678 6.084 1.00 0.00 C ATOM 368 CD LYS A2587 -0.055 -2.855 6.767 1.00 0.00 C ATOM 369 CE LYS A2587 -0.624 -4.215 6.353 1.00 0.00 C ATOM 370 NZ LYS A2587 -2.026 -4.403 6.776 1.00 0.00 N ATOM 0 H LYS A2587 -3.115 -1.319 4.272 1.00 0.00 H new ATOM 0 HA LYS A2587 -0.843 0.390 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A2587 -1.100 -2.631 4.201 1.00 0.00 H new ATOM 0 HB3 LYS A2587 0.428 -1.782 4.320 1.00 0.00 H new ATOM 0 HG2 LYS A2587 -0.363 -0.740 6.460 1.00 0.00 H new ATOM 0 HG3 LYS A2587 -1.828 -1.695 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A2587 1.007 -2.820 6.522 1.00 0.00 H new ATOM 0 HD3 LYS A2587 -0.136 -2.746 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A2587 -0.560 -4.316 5.270 1.00 0.00 H new ATOM 0 HE3 LYS A2587 -0.010 -5.006 6.784 1.00 0.00 H new ATOM 0 HZ1 LYS A2587 -2.106 -5.275 7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A2587 -2.326 -3.592 7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A2587 -2.635 -4.474 5.936 1.00 0.00 H new ATOM 384 N ASN A2588 0.344 -0.160 2.066 1.00 0.00 N ATOM 385 CA ASN A2588 0.910 -0.171 0.700 1.00 0.00 C ATOM 386 C ASN A2588 0.771 -1.546 0.035 1.00 0.00 C ATOM 387 O ASN A2588 0.479 -1.645 -1.152 1.00 0.00 O ATOM 388 CB ASN A2588 2.391 0.223 0.742 1.00 0.00 C ATOM 389 CG ASN A2588 3.077 0.242 -0.633 1.00 0.00 C ATOM 390 OD1 ASN A2588 4.249 -0.094 -0.751 1.00 0.00 O ATOM 391 ND2 ASN A2588 2.377 0.663 -1.665 1.00 0.00 N ATOM 0 H ASN A2588 0.981 0.222 2.765 1.00 0.00 H new ATOM 0 HA ASN A2588 0.347 0.551 0.109 1.00 0.00 H new ATOM 0 HB2 ASN A2588 2.480 1.211 1.194 1.00 0.00 H new ATOM 0 HB3 ASN A2588 2.922 -0.473 1.391 1.00 0.00 H new ATOM 0 HD21 ASN A2588 2.809 0.715 -2.587 1.00 0.00 H new ATOM 0 HD22 ASN A2588 1.402 0.937 -1.542 1.00 0.00 H new ATOM 398 N LYS A2589 0.942 -2.585 0.812 1.00 0.00 N ATOM 399 CA LYS A2589 0.847 -3.947 0.308 1.00 0.00 C ATOM 400 C LYS A2589 -0.588 -4.330 -0.069 1.00 0.00 C ATOM 401 O LYS A2589 -0.811 -5.004 -1.073 1.00 0.00 O ATOM 402 CB LYS A2589 1.422 -4.926 1.330 1.00 0.00 C ATOM 403 CG LYS A2589 0.788 -4.831 2.712 1.00 0.00 C ATOM 404 CD LYS A2589 1.467 -5.742 3.713 1.00 0.00 C ATOM 405 CE LYS A2589 1.285 -7.208 3.380 1.00 0.00 C ATOM 406 NZ LYS A2589 2.000 -8.064 4.344 1.00 0.00 N ATOM 0 H LYS A2589 1.150 -2.520 1.808 1.00 0.00 H new ATOM 0 HA LYS A2589 1.436 -4.001 -0.608 1.00 0.00 H new ATOM 0 HB2 LYS A2589 1.296 -5.941 0.954 1.00 0.00 H new ATOM 0 HB3 LYS A2589 2.494 -4.750 1.422 1.00 0.00 H new ATOM 0 HG2 LYS A2589 0.841 -3.801 3.065 1.00 0.00 H new ATOM 0 HG3 LYS A2589 -0.269 -5.090 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A2589 2.531 -5.510 3.747 1.00 0.00 H new ATOM 0 HD3 LYS A2589 1.066 -5.546 4.708 1.00 0.00 H new ATOM 0 HE2 LYS A2589 0.224 -7.456 3.386 1.00 0.00 H new ATOM 0 HE3 LYS A2589 1.653 -7.404 2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A2589 1.859 -9.063 4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A2589 3.016 -7.841 4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A2589 1.631 -7.892 5.301 1.00 0.00 H new ATOM 420 N ASP A2590 -1.550 -3.848 0.697 1.00 0.00 N ATOM 421 CA ASP A2590 -2.960 -4.209 0.499 1.00 0.00 C ATOM 422 C ASP A2590 -3.613 -3.287 -0.499 1.00 0.00 C ATOM 423 O ASP A2590 -4.733 -3.540 -0.947 1.00 0.00 O ATOM 424 CB ASP A2590 -3.751 -4.124 1.814 1.00 0.00 C ATOM 425 CG ASP A2590 -3.221 -4.994 2.931 1.00 0.00 C ATOM 426 OD1 ASP A2590 -3.563 -6.201 2.998 1.00 0.00 O ATOM 427 OD2 ASP A2590 -2.487 -4.483 3.785 1.00 0.00 O ATOM 0 H ASP A2590 -1.389 -3.201 1.469 1.00 0.00 H new ATOM 0 HA ASP A2590 -2.974 -5.235 0.130 1.00 0.00 H new ATOM 0 HB2 ASP A2590 -3.757 -3.088 2.152 1.00 0.00 H new ATOM 0 HB3 ASP A2590 -4.787 -4.401 1.617 1.00 0.00 H new ATOM 432 N LEU A2591 -2.898 -2.231 -0.846 1.00 0.00 N ATOM 433 CA LEU A2591 -3.376 -1.174 -1.729 1.00 0.00 C ATOM 434 C LEU A2591 -3.994 -1.730 -3.013 1.00 0.00 C ATOM 435 O LEU A2591 -5.112 -1.402 -3.345 1.00 0.00 O ATOM 436 CB LEU A2591 -2.227 -0.225 -2.064 1.00 0.00 C ATOM 437 CG LEU A2591 -2.581 1.012 -2.888 1.00 0.00 C ATOM 438 CD1 LEU A2591 -3.504 1.934 -2.105 1.00 0.00 C ATOM 439 CD2 LEU A2591 -1.322 1.742 -3.327 1.00 0.00 C ATOM 0 H LEU A2591 -1.945 -2.078 -0.515 1.00 0.00 H new ATOM 0 HA LEU A2591 -4.161 -0.631 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A2591 -1.775 0.106 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A2591 -1.466 -0.788 -2.604 1.00 0.00 H new ATOM 0 HG LEU A2591 -3.112 0.688 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A2591 -3.744 2.808 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A2591 -4.422 1.403 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A2591 -3.008 2.252 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A2591 -1.596 2.620 -3.912 1.00 0.00 H new ATOM 0 HD22 LEU A2591 -0.757 2.054 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A2591 -0.709 1.077 -3.935 1.00 0.00 H new ATOM 451 N VAL A2592 -3.275 -2.608 -3.690 1.00 0.00 N ATOM 452 CA VAL A2592 -3.742 -3.198 -4.952 1.00 0.00 C ATOM 453 C VAL A2592 -5.084 -3.943 -4.796 1.00 0.00 C ATOM 454 O VAL A2592 -5.947 -3.893 -5.685 1.00 0.00 O ATOM 455 CB VAL A2592 -2.681 -4.141 -5.570 1.00 0.00 C ATOM 456 CG1 VAL A2592 -1.474 -3.344 -6.033 1.00 0.00 C ATOM 457 CG2 VAL A2592 -2.250 -5.197 -4.565 1.00 0.00 C ATOM 0 H VAL A2592 -2.357 -2.936 -3.391 1.00 0.00 H new ATOM 0 HA VAL A2592 -3.904 -2.361 -5.632 1.00 0.00 H new ATOM 0 HB VAL A2592 -3.128 -4.641 -6.429 1.00 0.00 H new ATOM 0 HG11 VAL A2592 -0.736 -4.020 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A2592 -1.784 -2.617 -6.784 1.00 0.00 H new ATOM 0 HG13 VAL A2592 -1.034 -2.823 -5.183 1.00 0.00 H new ATOM 0 HG21 VAL A2592 -1.504 -5.849 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A2592 -1.821 -4.711 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL A2592 -3.115 -5.789 -4.265 1.00 0.00 H new ATOM 467 N GLU A2593 -5.262 -4.588 -3.663 1.00 0.00 N ATOM 468 CA GLU A2593 -6.465 -5.317 -3.363 1.00 0.00 C ATOM 469 C GLU A2593 -7.593 -4.350 -3.055 1.00 0.00 C ATOM 470 O GLU A2593 -8.715 -4.530 -3.498 1.00 0.00 O ATOM 471 CB GLU A2593 -6.232 -6.235 -2.177 1.00 0.00 C ATOM 472 CG GLU A2593 -5.215 -7.338 -2.424 1.00 0.00 C ATOM 473 CD GLU A2593 -5.621 -8.252 -3.552 1.00 0.00 C ATOM 474 OE1 GLU A2593 -6.589 -9.020 -3.384 1.00 0.00 O ATOM 475 OE2 GLU A2593 -4.985 -8.229 -4.619 1.00 0.00 O ATOM 0 H GLU A2593 -4.565 -4.618 -2.919 1.00 0.00 H new ATOM 0 HA GLU A2593 -6.740 -5.919 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A2593 -5.900 -5.636 -1.329 1.00 0.00 H new ATOM 0 HB3 GLU A2593 -7.181 -6.690 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A2593 -4.247 -6.892 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A2593 -5.089 -7.923 -1.513 1.00 0.00 H new ATOM 482 N TRP A2594 -7.275 -3.320 -2.317 1.00 0.00 N ATOM 483 CA TRP A2594 -8.248 -2.302 -1.957 1.00 0.00 C ATOM 484 C TRP A2594 -8.731 -1.592 -3.231 1.00 0.00 C ATOM 485 O TRP A2594 -9.915 -1.338 -3.411 1.00 0.00 O ATOM 486 CB TRP A2594 -7.606 -1.297 -0.988 1.00 0.00 C ATOM 487 CG TRP A2594 -8.591 -0.496 -0.208 1.00 0.00 C ATOM 488 CD1 TRP A2594 -9.155 -0.862 0.970 1.00 0.00 C ATOM 489 CD2 TRP A2594 -9.136 0.792 -0.530 1.00 0.00 C ATOM 490 NE1 TRP A2594 -10.015 0.104 1.409 1.00 0.00 N ATOM 491 CE2 TRP A2594 -10.027 1.129 0.510 1.00 0.00 C ATOM 492 CE3 TRP A2594 -8.966 1.692 -1.586 1.00 0.00 C ATOM 493 CZ2 TRP A2594 -10.740 2.318 0.523 1.00 0.00 C ATOM 494 CZ3 TRP A2594 -9.678 2.867 -1.565 1.00 0.00 C ATOM 495 CH2 TRP A2594 -10.555 3.173 -0.521 1.00 0.00 C ATOM 0 H TRP A2594 -6.339 -3.156 -1.945 1.00 0.00 H new ATOM 0 HA TRP A2594 -9.104 -2.762 -1.463 1.00 0.00 H new ATOM 0 HB2 TRP A2594 -6.961 -1.837 -0.295 1.00 0.00 H new ATOM 0 HB3 TRP A2594 -6.968 -0.619 -1.554 1.00 0.00 H new ATOM 0 HD1 TRP A2594 -8.952 -1.788 1.488 1.00 0.00 H new ATOM 0 HE1 TRP A2594 -10.560 0.065 2.270 1.00 0.00 H new ATOM 0 HE3 TRP A2594 -8.291 1.469 -2.399 1.00 0.00 H new ATOM 0 HZ2 TRP A2594 -11.416 2.557 1.330 1.00 0.00 H new ATOM 0 HZ3 TRP A2594 -9.557 3.571 -2.375 1.00 0.00 H new ATOM 0 HH2 TRP A2594 -11.097 4.107 -0.542 1.00 0.00 H new ATOM 506 N LEU A2595 -7.797 -1.350 -4.129 1.00 0.00 N ATOM 507 CA LEU A2595 -8.056 -0.684 -5.412 1.00 0.00 C ATOM 508 C LEU A2595 -8.961 -1.491 -6.312 1.00 0.00 C ATOM 509 O LEU A2595 -9.767 -0.927 -7.055 1.00 0.00 O ATOM 510 CB LEU A2595 -6.742 -0.413 -6.132 1.00 0.00 C ATOM 511 CG LEU A2595 -6.049 0.918 -5.849 1.00 0.00 C ATOM 512 CD1 LEU A2595 -6.136 1.312 -4.382 1.00 0.00 C ATOM 513 CD2 LEU A2595 -4.601 0.829 -6.288 1.00 0.00 C ATOM 0 H LEU A2595 -6.820 -1.610 -3.996 1.00 0.00 H new ATOM 0 HA LEU A2595 -8.565 0.253 -5.186 1.00 0.00 H new ATOM 0 HB2 LEU A2595 -6.048 -1.215 -5.880 1.00 0.00 H new ATOM 0 HB3 LEU A2595 -6.926 -0.476 -7.205 1.00 0.00 H new ATOM 0 HG LEU A2595 -6.563 1.695 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A2595 -5.629 2.265 -4.231 1.00 0.00 H new ATOM 0 HD12 LEU A2595 -7.182 1.408 -4.092 1.00 0.00 H new ATOM 0 HD13 LEU A2595 -5.659 0.546 -3.771 1.00 0.00 H new ATOM 0 HD21 LEU A2595 -4.101 1.777 -6.088 1.00 0.00 H new ATOM 0 HD22 LEU A2595 -4.102 0.032 -5.736 1.00 0.00 H new ATOM 0 HD23 LEU A2595 -4.557 0.614 -7.356 1.00 0.00 H new ATOM 525 N LYS A2596 -8.830 -2.806 -6.272 1.00 0.00 N ATOM 526 CA LYS A2596 -9.670 -3.627 -7.116 1.00 0.00 C ATOM 527 C LYS A2596 -11.113 -3.590 -6.634 1.00 0.00 C ATOM 528 O LYS A2596 -12.048 -3.551 -7.433 1.00 0.00 O ATOM 529 CB LYS A2596 -9.146 -5.061 -7.290 1.00 0.00 C ATOM 530 CG LYS A2596 -9.128 -5.952 -6.068 1.00 0.00 C ATOM 531 CD LYS A2596 -8.716 -7.381 -6.422 1.00 0.00 C ATOM 532 CE LYS A2596 -7.308 -7.459 -7.011 1.00 0.00 C ATOM 533 NZ LYS A2596 -6.980 -8.824 -7.475 1.00 0.00 N ATOM 0 H LYS A2596 -8.170 -3.313 -5.682 1.00 0.00 H new ATOM 0 HA LYS A2596 -9.636 -3.194 -8.116 1.00 0.00 H new ATOM 0 HB2 LYS A2596 -9.751 -5.550 -8.053 1.00 0.00 H new ATOM 0 HB3 LYS A2596 -8.129 -5.003 -7.678 1.00 0.00 H new ATOM 0 HG2 LYS A2596 -8.437 -5.545 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A2596 -10.116 -5.961 -5.608 1.00 0.00 H new ATOM 0 HD2 LYS A2596 -8.766 -8.002 -5.527 1.00 0.00 H new ATOM 0 HD3 LYS A2596 -9.428 -7.794 -7.137 1.00 0.00 H new ATOM 0 HE2 LYS A2596 -7.224 -6.762 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A2596 -6.582 -7.147 -6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A2596 -6.017 -8.835 -7.868 1.00 0.00 H new ATOM 0 HZ2 LYS A2596 -7.035 -9.485 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A2596 -7.657 -9.113 -8.210 1.00 0.00 H new ATOM 547 N LEU A2597 -11.270 -3.583 -5.337 1.00 0.00 N ATOM 548 CA LEU A2597 -12.578 -3.437 -4.699 1.00 0.00 C ATOM 549 C LEU A2597 -13.161 -2.032 -4.874 1.00 0.00 C ATOM 550 O LEU A2597 -14.377 -1.880 -5.031 1.00 0.00 O ATOM 551 CB LEU A2597 -12.523 -3.777 -3.198 1.00 0.00 C ATOM 552 CG LEU A2597 -12.643 -5.254 -2.773 1.00 0.00 C ATOM 553 CD1 LEU A2597 -13.998 -5.821 -3.150 1.00 0.00 C ATOM 554 CD2 LEU A2597 -11.536 -6.109 -3.345 1.00 0.00 C ATOM 0 H LEU A2597 -10.497 -3.678 -4.678 1.00 0.00 H new ATOM 0 HA LEU A2597 -13.232 -4.148 -5.204 1.00 0.00 H new ATOM 0 HB2 LEU A2597 -11.580 -3.395 -2.806 1.00 0.00 H new ATOM 0 HB3 LEU A2597 -13.322 -3.224 -2.703 1.00 0.00 H new ATOM 0 HG LEU A2597 -12.543 -5.276 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A2597 -14.055 -6.864 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A2597 -14.782 -5.250 -2.653 1.00 0.00 H new ATOM 0 HD13 LEU A2597 -14.132 -5.757 -4.230 1.00 0.00 H new ATOM 0 HD21 LEU A2597 -11.666 -7.140 -3.016 1.00 0.00 H new ATOM 0 HD22 LEU A2597 -11.570 -6.068 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A2597 -10.572 -5.736 -2.998 1.00 0.00 H new ATOM 566 N HIS A2598 -12.309 -1.014 -4.854 1.00 0.00 N ATOM 567 CA HIS A2598 -12.772 0.370 -4.936 1.00 0.00 C ATOM 568 C HIS A2598 -12.151 1.129 -6.113 1.00 0.00 C ATOM 569 O HIS A2598 -11.201 1.879 -5.934 1.00 0.00 O ATOM 570 CB HIS A2598 -12.474 1.154 -3.641 1.00 0.00 C ATOM 571 CG HIS A2598 -13.029 0.539 -2.381 1.00 0.00 C ATOM 572 ND1 HIS A2598 -14.302 0.754 -1.901 1.00 0.00 N ATOM 573 CD2 HIS A2598 -12.439 -0.289 -1.491 1.00 0.00 C ATOM 574 CE1 HIS A2598 -14.437 0.072 -0.765 1.00 0.00 C ATOM 575 NE2 HIS A2598 -13.333 -0.584 -0.470 1.00 0.00 N ATOM 0 H HIS A2598 -11.297 -1.118 -4.782 1.00 0.00 H new ATOM 0 HA HIS A2598 -13.850 0.303 -5.086 1.00 0.00 H new ATOM 0 HB2 HIS A2598 -11.394 1.252 -3.534 1.00 0.00 H new ATOM 0 HB3 HIS A2598 -12.877 2.162 -3.743 1.00 0.00 H new ATOM 0 HD2 HIS A2598 -11.429 -0.663 -1.563 1.00 0.00 H new ATOM 0 HE1 HIS A2598 -15.334 0.058 -0.164 1.00 0.00 H new ATOM 0 HE2 HIS A2598 -13.169 -1.183 0.339 1.00 0.00 H new ATOM 583 N PRO A2599 -12.671 0.953 -7.340 1.00 0.00 N ATOM 584 CA PRO A2599 -12.198 1.707 -8.519 1.00 0.00 C ATOM 585 C PRO A2599 -12.745 3.140 -8.496 1.00 0.00 C ATOM 586 O PRO A2599 -12.427 3.981 -9.339 1.00 0.00 O ATOM 587 CB PRO A2599 -12.801 0.932 -9.686 1.00 0.00 C ATOM 588 CG PRO A2599 -14.036 0.313 -9.128 1.00 0.00 C ATOM 589 CD PRO A2599 -13.732 -0.009 -7.694 1.00 0.00 C ATOM 0 HA PRO A2599 -11.112 1.792 -8.568 1.00 0.00 H new ATOM 0 HB2 PRO A2599 -13.031 1.591 -10.523 1.00 0.00 H new ATOM 0 HB3 PRO A2599 -12.111 0.174 -10.058 1.00 0.00 H new ATOM 0 HG2 PRO A2599 -14.882 0.996 -9.203 1.00 0.00 H new ATOM 0 HG3 PRO A2599 -14.304 -0.587 -9.681 1.00 0.00 H new ATOM 0 HD2 PRO A2599 -14.611 0.112 -7.061 1.00 0.00 H new ATOM 0 HD3 PRO A2599 -13.395 -1.039 -7.577 1.00 0.00 H new ATOM 597 N THR A2600 -13.560 3.378 -7.517 1.00 0.00 N ATOM 598 CA THR A2600 -14.235 4.604 -7.264 1.00 0.00 C ATOM 599 C THR A2600 -13.431 5.493 -6.314 1.00 0.00 C ATOM 600 O THR A2600 -13.904 6.563 -5.889 1.00 0.00 O ATOM 601 CB THR A2600 -15.525 4.213 -6.575 1.00 0.00 C ATOM 602 OG1 THR A2600 -15.216 3.099 -5.703 1.00 0.00 O ATOM 603 CG2 THR A2600 -16.583 3.786 -7.572 1.00 0.00 C ATOM 0 H THR A2600 -13.785 2.664 -6.824 1.00 0.00 H new ATOM 0 HA THR A2600 -14.388 5.159 -8.189 1.00 0.00 H new ATOM 0 HB THR A2600 -15.920 5.067 -6.025 1.00 0.00 H new ATOM 0 HG1 THR A2600 -15.892 3.040 -4.996 1.00 0.00 H new ATOM 0 HG21 THR A2600 -17.495 3.513 -7.041 1.00 0.00 H new ATOM 0 HG22 THR A2600 -16.794 4.610 -8.254 1.00 0.00 H new ATOM 0 HG23 THR A2600 -16.223 2.928 -8.140 1.00 0.00 H new ATOM 611 N TYR A2601 -12.235 5.060 -5.979 1.00 0.00 N ATOM 612 CA TYR A2601 -11.434 5.752 -4.998 1.00 0.00 C ATOM 613 C TYR A2601 -10.568 6.837 -5.650 1.00 0.00 C ATOM 614 O TYR A2601 -10.493 6.947 -6.879 1.00 0.00 O ATOM 615 CB TYR A2601 -10.519 4.746 -4.253 1.00 0.00 C ATOM 616 CG TYR A2601 -9.156 4.532 -4.892 1.00 0.00 C ATOM 617 CD1 TYR A2601 -9.017 4.002 -6.165 1.00 0.00 C ATOM 618 CD2 TYR A2601 -8.014 4.905 -4.212 1.00 0.00 C ATOM 619 CE1 TYR A2601 -7.782 3.862 -6.739 1.00 0.00 C ATOM 620 CE2 TYR A2601 -6.779 4.760 -4.767 1.00 0.00 C ATOM 621 CZ TYR A2601 -6.658 4.245 -6.035 1.00 0.00 C ATOM 622 OH TYR A2601 -5.408 4.118 -6.606 1.00 0.00 O ATOM 0 H TYR A2601 -11.796 4.228 -6.374 1.00 0.00 H new ATOM 0 HA TYR A2601 -12.113 6.229 -4.291 1.00 0.00 H new ATOM 0 HB2 TYR A2601 -10.375 5.095 -3.231 1.00 0.00 H new ATOM 0 HB3 TYR A2601 -11.031 3.786 -4.192 1.00 0.00 H new ATOM 0 HD1 TYR A2601 -9.896 3.695 -6.712 1.00 0.00 H new ATOM 0 HD2 TYR A2601 -8.102 5.321 -3.219 1.00 0.00 H new ATOM 0 HE1 TYR A2601 -7.688 3.455 -7.735 1.00 0.00 H new ATOM 0 HE2 TYR A2601 -5.898 5.049 -4.213 1.00 0.00 H new ATOM 0 HH TYR A2601 -4.727 4.434 -5.976 1.00 0.00 H new ATOM 632 N THR A2602 -9.920 7.603 -4.822 1.00 0.00 N ATOM 633 CA THR A2602 -8.919 8.524 -5.234 1.00 0.00 C ATOM 634 C THR A2602 -7.911 8.612 -4.088 1.00 0.00 C ATOM 635 O THR A2602 -8.200 8.144 -2.964 1.00 0.00 O ATOM 636 CB THR A2602 -9.502 9.921 -5.591 1.00 0.00 C ATOM 637 OG1 THR A2602 -8.495 10.725 -6.216 1.00 0.00 O ATOM 638 CG2 THR A2602 -10.011 10.648 -4.357 1.00 0.00 C ATOM 0 H THR A2602 -10.083 7.599 -3.815 1.00 0.00 H new ATOM 0 HA THR A2602 -8.444 8.176 -6.151 1.00 0.00 H new ATOM 0 HB THR A2602 -10.338 9.762 -6.272 1.00 0.00 H new ATOM 0 HG1 THR A2602 -8.869 11.603 -6.440 1.00 0.00 H new ATOM 0 HG21 THR A2602 -10.411 11.620 -4.646 1.00 0.00 H new ATOM 0 HG22 THR A2602 -10.797 10.058 -3.886 1.00 0.00 H new ATOM 0 HG23 THR A2602 -9.191 10.788 -3.653 1.00 0.00 H new ATOM 646 N VAL A2603 -6.764 9.163 -4.341 1.00 0.00 N ATOM 647 CA VAL A2603 -5.742 9.242 -3.327 1.00 0.00 C ATOM 648 C VAL A2603 -5.919 10.532 -2.542 1.00 0.00 C ATOM 649 O VAL A2603 -6.104 11.600 -3.131 1.00 0.00 O ATOM 650 CB VAL A2603 -4.312 9.167 -3.930 1.00 0.00 C ATOM 651 CG1 VAL A2603 -3.256 9.111 -2.833 1.00 0.00 C ATOM 652 CG2 VAL A2603 -4.174 7.964 -4.861 1.00 0.00 C ATOM 0 H VAL A2603 -6.506 9.567 -5.241 1.00 0.00 H new ATOM 0 HA VAL A2603 -5.852 8.383 -2.665 1.00 0.00 H new ATOM 0 HB VAL A2603 -4.152 10.074 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A2603 -2.265 9.059 -3.284 1.00 0.00 H new ATOM 0 HG12 VAL A2603 -3.326 10.005 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A2603 -3.420 8.228 -2.215 1.00 0.00 H new ATOM 0 HG21 VAL A2603 -3.164 7.934 -5.270 1.00 0.00 H new ATOM 0 HG22 VAL A2603 -4.366 7.048 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A2603 -4.893 8.050 -5.676 1.00 0.00 H new ATOM 662 N ASP A2604 -5.889 10.430 -1.236 1.00 0.00 N ATOM 663 CA ASP A2604 -6.066 11.587 -0.380 1.00 0.00 C ATOM 664 C ASP A2604 -4.751 12.294 -0.223 1.00 0.00 C ATOM 665 O ASP A2604 -4.620 13.471 -0.542 1.00 0.00 O ATOM 666 CB ASP A2604 -6.591 11.181 0.996 1.00 0.00 C ATOM 667 CG ASP A2604 -6.752 12.361 1.918 1.00 0.00 C ATOM 668 OD1 ASP A2604 -7.827 12.960 1.929 1.00 0.00 O ATOM 669 OD2 ASP A2604 -5.812 12.702 2.673 1.00 0.00 O ATOM 0 H ASP A2604 -5.743 9.553 -0.736 1.00 0.00 H new ATOM 0 HA ASP A2604 -6.797 12.249 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A2604 -7.551 10.678 0.882 1.00 0.00 H new ATOM 0 HB3 ASP A2604 -5.906 10.462 1.446 1.00 0.00 H new