USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 376 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: A 22 SER OG : rot 44:sc= -3.04! USER MOD Set 1.2: A 25 THR OG1 : rot -19:sc= 0.204 USER MOD Single : A 11 THR OG1 : rot 14:sc= 0.399 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -109:sc= -2.66! (180deg=-5.32!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.02 K(o=-2,f=-2.9!) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0526) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -3.81! C(o=-3.8!,f=-4!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.657 K(o=-0.66,f=-0.15) USER MOD Single : A 46 LYS NZ :NH3+ 159:sc= -0.142 (180deg=-0.838) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 9 6.462 -13.777 -11.554 1.00 0.00 N ATOM 2 CA ALA A 9 5.271 -13.432 -12.379 1.00 0.00 C ATOM 3 C ALA A 9 4.157 -12.919 -11.472 1.00 0.00 C ATOM 4 O ALA A 9 4.238 -13.034 -10.249 1.00 0.00 O ATOM 5 CB ALA A 9 4.799 -14.676 -13.134 1.00 0.00 C ATOM 0 HA ALA A 9 5.533 -12.655 -13.097 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.927 -14.426 -13.739 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.599 -15.034 -13.782 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.534 -15.456 -12.420 1.00 0.00 H new ATOM 11 N ALA A 10 3.115 -12.353 -12.081 1.00 0.00 N ATOM 12 CA ALA A 10 1.977 -11.822 -11.327 1.00 0.00 C ATOM 13 C ALA A 10 0.783 -12.765 -11.432 1.00 0.00 C ATOM 14 O ALA A 10 -0.100 -12.574 -12.265 1.00 0.00 O ATOM 15 CB ALA A 10 1.589 -10.448 -11.876 1.00 0.00 C ATOM 0 H ALA A 10 3.034 -12.250 -13.093 1.00 0.00 H new ATOM 0 HA ALA A 10 2.265 -11.730 -10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.742 -10.057 -11.312 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.434 -9.766 -11.781 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.314 -10.540 -12.927 1.00 0.00 H new ATOM 21 N THR A 11 0.765 -13.785 -10.581 1.00 0.00 N ATOM 22 CA THR A 11 -0.328 -14.751 -10.591 1.00 0.00 C ATOM 23 C THR A 11 -1.663 -14.045 -10.368 1.00 0.00 C ATOM 24 O THR A 11 -1.716 -12.965 -9.781 1.00 0.00 O ATOM 25 CB THR A 11 -0.108 -15.807 -9.495 1.00 0.00 C ATOM 26 OG1 THR A 11 0.343 -15.165 -8.310 1.00 0.00 O ATOM 27 CG2 THR A 11 0.937 -16.834 -9.949 1.00 0.00 C ATOM 0 H THR A 11 1.486 -13.964 -9.882 1.00 0.00 H new ATOM 0 HA THR A 11 -0.348 -15.243 -11.563 1.00 0.00 H new ATOM 0 HB THR A 11 -1.049 -16.323 -9.303 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.203 -14.198 -8.388 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.083 -17.576 -9.164 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.590 -17.329 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.881 -16.328 -10.150 1.00 0.00 H new ATOM 35 N MET A 12 -2.738 -14.668 -10.838 1.00 0.00 N ATOM 36 CA MET A 12 -4.070 -14.095 -10.682 1.00 0.00 C ATOM 37 C MET A 12 -4.292 -13.665 -9.237 1.00 0.00 C ATOM 38 O MET A 12 -5.104 -12.783 -8.958 1.00 0.00 O ATOM 39 CB MET A 12 -5.133 -15.120 -11.081 1.00 0.00 C ATOM 40 CG MET A 12 -4.953 -15.495 -12.553 1.00 0.00 C ATOM 41 SD MET A 12 -6.124 -16.805 -12.989 1.00 0.00 S ATOM 42 CE MET A 12 -7.496 -15.729 -13.475 1.00 0.00 C ATOM 0 H MET A 12 -2.714 -15.563 -11.327 1.00 0.00 H new ATOM 0 HA MET A 12 -4.151 -13.223 -11.330 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.049 -16.009 -10.455 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.129 -14.709 -10.919 1.00 0.00 H new ATOM 0 HG2 MET A 12 -5.116 -14.622 -13.184 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.932 -15.831 -12.732 1.00 0.00 H new ATOM 0 HE1 MET A 12 -8.344 -16.339 -13.787 1.00 0.00 H new ATOM 0 HE2 MET A 12 -7.788 -15.108 -12.629 1.00 0.00 H new ATOM 0 HE3 MET A 12 -7.183 -15.092 -14.302 1.00 0.00 H new ATOM 52 N LYS A 13 -3.562 -14.293 -8.322 1.00 0.00 N ATOM 53 CA LYS A 13 -3.683 -13.969 -6.907 1.00 0.00 C ATOM 54 C LYS A 13 -3.051 -12.614 -6.615 1.00 0.00 C ATOM 55 O LYS A 13 -3.608 -11.808 -5.870 1.00 0.00 O ATOM 56 CB LYS A 13 -2.996 -15.046 -6.060 1.00 0.00 C ATOM 57 CG LYS A 13 -3.815 -16.342 -6.091 1.00 0.00 C ATOM 58 CD LYS A 13 -3.287 -17.311 -5.028 1.00 0.00 C ATOM 59 CE LYS A 13 -1.778 -17.516 -5.207 1.00 0.00 C ATOM 60 NZ LYS A 13 -1.044 -16.383 -4.574 1.00 0.00 N ATOM 0 H LYS A 13 -2.884 -15.025 -8.534 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.742 -13.929 -6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.991 -15.232 -6.440 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.889 -14.698 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.867 -16.123 -5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.752 -16.800 -7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.493 -16.919 -4.032 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.804 -18.267 -5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.472 -18.459 -4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.532 -17.576 -6.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.627 -15.783 -5.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.704 -15.819 -4.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -0.289 -16.756 -3.964 1.00 0.00 H new ATOM 74 N ASP A 14 -1.881 -12.366 -7.198 1.00 0.00 N ATOM 75 CA ASP A 14 -1.185 -11.108 -6.981 1.00 0.00 C ATOM 76 C ASP A 14 -2.066 -9.939 -7.386 1.00 0.00 C ATOM 77 O ASP A 14 -2.071 -8.896 -6.731 1.00 0.00 O ATOM 78 CB ASP A 14 0.111 -11.079 -7.791 1.00 0.00 C ATOM 79 CG ASP A 14 1.129 -12.037 -7.182 1.00 0.00 C ATOM 80 OD1 ASP A 14 1.651 -11.720 -6.124 1.00 0.00 O ATOM 81 OD2 ASP A 14 1.370 -13.072 -7.778 1.00 0.00 O ATOM 0 H ASP A 14 -1.400 -13.017 -7.819 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.949 -11.022 -5.920 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -0.091 -11.359 -8.825 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.516 -10.067 -7.808 1.00 0.00 H new ATOM 86 N VAL A 15 -2.811 -10.115 -8.469 1.00 0.00 N ATOM 87 CA VAL A 15 -3.690 -9.065 -8.953 1.00 0.00 C ATOM 88 C VAL A 15 -4.700 -8.676 -7.874 1.00 0.00 C ATOM 89 O VAL A 15 -4.913 -7.494 -7.606 1.00 0.00 O ATOM 90 CB VAL A 15 -4.421 -9.551 -10.213 1.00 0.00 C ATOM 91 CG1 VAL A 15 -5.544 -8.579 -10.583 1.00 0.00 C ATOM 92 CG2 VAL A 15 -3.429 -9.641 -11.376 1.00 0.00 C ATOM 0 H VAL A 15 -2.823 -10.970 -9.025 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.094 -8.186 -9.198 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.850 -10.533 -10.014 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.054 -8.936 -11.478 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.256 -8.516 -9.760 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.123 -7.592 -10.775 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -3.947 -9.986 -12.271 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.998 -8.658 -11.563 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.635 -10.344 -11.123 1.00 0.00 H new ATOM 102 N ALA A 16 -5.318 -9.679 -7.258 1.00 0.00 N ATOM 103 CA ALA A 16 -6.302 -9.424 -6.210 1.00 0.00 C ATOM 104 C ALA A 16 -5.717 -8.505 -5.144 1.00 0.00 C ATOM 105 O ALA A 16 -6.438 -7.739 -4.505 1.00 0.00 O ATOM 106 CB ALA A 16 -6.739 -10.744 -5.566 1.00 0.00 C ATOM 0 H ALA A 16 -5.158 -10.665 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.168 -8.939 -6.660 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.473 -10.543 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.183 -11.389 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.872 -11.240 -5.130 1.00 0.00 H new ATOM 112 N LEU A 17 -4.404 -8.589 -4.959 1.00 0.00 N ATOM 113 CA LEU A 17 -3.726 -7.758 -3.965 1.00 0.00 C ATOM 114 C LEU A 17 -3.832 -6.281 -4.355 1.00 0.00 C ATOM 115 O LEU A 17 -4.180 -5.433 -3.533 1.00 0.00 O ATOM 116 CB LEU A 17 -2.243 -8.177 -3.851 1.00 0.00 C ATOM 117 CG LEU A 17 -1.713 -7.926 -2.429 1.00 0.00 C ATOM 118 CD1 LEU A 17 -0.204 -8.202 -2.389 1.00 0.00 C ATOM 119 CD2 LEU A 17 -1.972 -6.466 -2.022 1.00 0.00 C ATOM 0 H LEU A 17 -3.791 -9.217 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.206 -7.899 -2.997 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.138 -9.232 -4.102 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.646 -7.617 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.228 -8.590 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.172 -8.024 -1.381 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.016 -9.239 -2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.306 -7.539 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.594 -6.297 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.463 -5.799 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.043 -6.266 -2.046 1.00 0.00 H new ATOM 131 N LYS A 18 -3.530 -5.983 -5.615 1.00 0.00 N ATOM 132 CA LYS A 18 -3.593 -4.607 -6.104 1.00 0.00 C ATOM 133 C LYS A 18 -5.041 -4.133 -6.227 1.00 0.00 C ATOM 134 O LYS A 18 -5.348 -2.976 -5.941 1.00 0.00 O ATOM 135 CB LYS A 18 -2.907 -4.509 -7.468 1.00 0.00 C ATOM 136 CG LYS A 18 -2.671 -3.037 -7.819 1.00 0.00 C ATOM 137 CD LYS A 18 -2.341 -2.911 -9.310 1.00 0.00 C ATOM 138 CE LYS A 18 -1.160 -3.821 -9.655 1.00 0.00 C ATOM 139 NZ LYS A 18 -0.579 -3.405 -10.964 1.00 0.00 N ATOM 0 H LYS A 18 -3.241 -6.669 -6.312 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.079 -3.968 -5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.958 -5.045 -7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.525 -4.981 -8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.558 -2.449 -7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.853 -2.636 -7.220 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.210 -3.184 -9.909 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.098 -1.876 -9.553 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.402 -3.763 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.489 -4.859 -9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.224 -4.023 -11.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.304 -3.482 -11.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.251 -2.420 -10.901 1.00 0.00 H new ATOM 153 N ALA A 19 -5.924 -5.032 -6.653 1.00 0.00 N ATOM 154 CA ALA A 19 -7.340 -4.695 -6.812 1.00 0.00 C ATOM 155 C ALA A 19 -8.098 -4.944 -5.507 1.00 0.00 C ATOM 156 O ALA A 19 -9.298 -4.690 -5.416 1.00 0.00 O ATOM 157 CB ALA A 19 -7.946 -5.534 -7.946 1.00 0.00 C ATOM 0 H ALA A 19 -5.688 -5.995 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.426 -3.638 -7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.000 -5.281 -8.062 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.418 -5.324 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.851 -6.593 -7.706 1.00 0.00 H new ATOM 163 N LYS A 20 -7.384 -5.440 -4.501 1.00 0.00 N ATOM 164 CA LYS A 20 -7.990 -5.718 -3.200 1.00 0.00 C ATOM 165 C LYS A 20 -9.343 -6.394 -3.370 1.00 0.00 C ATOM 166 O LYS A 20 -10.331 -6.007 -2.745 1.00 0.00 O ATOM 167 CB LYS A 20 -8.164 -4.420 -2.415 1.00 0.00 C ATOM 168 CG LYS A 20 -6.827 -3.662 -2.378 1.00 0.00 C ATOM 169 CD LYS A 20 -6.845 -2.649 -1.237 1.00 0.00 C ATOM 170 CE LYS A 20 -7.911 -1.586 -1.510 1.00 0.00 C ATOM 171 NZ LYS A 20 -7.722 -0.440 -0.578 1.00 0.00 N ATOM 0 H LYS A 20 -6.389 -5.657 -4.559 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.328 -6.388 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.932 -3.802 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.499 -4.638 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.003 -4.363 -2.242 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.659 -3.153 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.053 -3.153 -0.293 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.866 -2.180 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.842 -1.244 -2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.906 -2.012 -1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.447 0.282 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.809 -0.773 0.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.778 -0.028 -0.722 1.00 0.00 H new ATOM 185 N VAL A 21 -9.371 -7.402 -4.224 1.00 0.00 N ATOM 186 CA VAL A 21 -10.602 -8.136 -4.491 1.00 0.00 C ATOM 187 C VAL A 21 -11.003 -8.972 -3.281 1.00 0.00 C ATOM 188 O VAL A 21 -11.877 -8.583 -2.507 1.00 0.00 O ATOM 189 CB VAL A 21 -10.419 -9.045 -5.711 1.00 0.00 C ATOM 190 CG1 VAL A 21 -11.755 -9.692 -6.075 1.00 0.00 C ATOM 191 CG2 VAL A 21 -9.927 -8.212 -6.899 1.00 0.00 C ATOM 0 H VAL A 21 -8.559 -7.733 -4.745 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.394 -7.415 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 21 -9.689 -9.819 -5.475 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.622 -10.338 -6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.114 -10.284 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.484 -8.916 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.797 -8.858 -7.767 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.660 -7.438 -7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.974 -7.746 -6.647 1.00 0.00 H new ATOM 201 N SER A 22 -10.355 -10.121 -3.126 1.00 0.00 N ATOM 202 CA SER A 22 -10.642 -11.015 -2.007 1.00 0.00 C ATOM 203 C SER A 22 -10.025 -12.392 -2.262 1.00 0.00 C ATOM 204 O SER A 22 -10.129 -12.938 -3.361 1.00 0.00 O ATOM 205 CB SER A 22 -12.165 -11.143 -1.811 1.00 0.00 C ATOM 206 OG SER A 22 -12.806 -10.999 -3.071 1.00 0.00 O ATOM 0 H SER A 22 -9.629 -10.456 -3.759 1.00 0.00 H new ATOM 0 HA SER A 22 -10.204 -10.597 -1.100 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.408 -12.111 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.521 -10.381 -1.118 1.00 0.00 H new ATOM 0 HG SER A 22 -12.321 -11.518 -3.746 1.00 0.00 H new ATOM 212 N THR A 23 -9.380 -12.936 -1.239 1.00 0.00 N ATOM 213 CA THR A 23 -8.738 -14.242 -1.347 1.00 0.00 C ATOM 214 C THR A 23 -9.752 -15.337 -1.675 1.00 0.00 C ATOM 215 O THR A 23 -9.402 -16.350 -2.280 1.00 0.00 O ATOM 216 CB THR A 23 -8.027 -14.581 -0.035 1.00 0.00 C ATOM 217 OG1 THR A 23 -7.193 -13.494 0.343 1.00 0.00 O ATOM 218 CG2 THR A 23 -7.176 -15.837 -0.224 1.00 0.00 C ATOM 0 H THR A 23 -9.287 -12.494 -0.324 1.00 0.00 H new ATOM 0 HA THR A 23 -8.013 -14.193 -2.160 1.00 0.00 H new ATOM 0 HB THR A 23 -8.767 -14.761 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.738 -13.708 1.184 1.00 0.00 H new ATOM 0 HG21 THR A 23 -6.670 -16.078 0.711 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.816 -16.670 -0.515 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.434 -15.660 -1.003 1.00 0.00 H new ATOM 226 N ALA A 24 -11.002 -15.139 -1.267 1.00 0.00 N ATOM 227 CA ALA A 24 -12.043 -16.130 -1.525 1.00 0.00 C ATOM 228 C ALA A 24 -12.527 -16.054 -2.971 1.00 0.00 C ATOM 229 O ALA A 24 -12.763 -17.078 -3.612 1.00 0.00 O ATOM 230 CB ALA A 24 -13.224 -15.903 -0.578 1.00 0.00 C ATOM 0 H ALA A 24 -11.317 -14.311 -0.762 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.619 -17.119 -1.354 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.997 -16.646 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -12.886 -15.997 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.631 -14.904 -0.737 1.00 0.00 H new ATOM 236 N THR A 25 -12.680 -14.835 -3.474 1.00 0.00 N ATOM 237 CA THR A 25 -13.145 -14.649 -4.846 1.00 0.00 C ATOM 238 C THR A 25 -12.198 -15.346 -5.814 1.00 0.00 C ATOM 239 O THR A 25 -12.577 -16.304 -6.489 1.00 0.00 O ATOM 240 CB THR A 25 -13.215 -13.157 -5.175 1.00 0.00 C ATOM 241 OG1 THR A 25 -12.032 -12.524 -4.712 1.00 0.00 O ATOM 242 CG2 THR A 25 -14.433 -12.533 -4.488 1.00 0.00 C ATOM 0 H THR A 25 -12.493 -13.972 -2.963 1.00 0.00 H new ATOM 0 HA THR A 25 -14.140 -15.083 -4.945 1.00 0.00 H new ATOM 0 HB THR A 25 -13.306 -13.024 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.598 -13.092 -4.042 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.479 -11.470 -4.725 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.340 -13.023 -4.841 1.00 0.00 H new ATOM 0 HG23 THR A 25 -14.347 -12.661 -3.409 1.00 0.00 H new ATOM 250 N VAL A 26 -10.966 -14.855 -5.883 1.00 0.00 N ATOM 251 CA VAL A 26 -9.972 -15.433 -6.778 1.00 0.00 C ATOM 252 C VAL A 26 -9.832 -16.937 -6.543 1.00 0.00 C ATOM 253 O VAL A 26 -9.584 -17.700 -7.478 1.00 0.00 O ATOM 254 CB VAL A 26 -8.618 -14.735 -6.566 1.00 0.00 C ATOM 255 CG1 VAL A 26 -7.952 -15.240 -5.281 1.00 0.00 C ATOM 256 CG2 VAL A 26 -7.702 -15.024 -7.759 1.00 0.00 C ATOM 0 H VAL A 26 -10.633 -14.063 -5.333 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.301 -15.282 -7.806 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.786 -13.662 -6.479 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.995 -14.737 -5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.598 -15.028 -4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.789 -16.315 -5.354 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.742 -14.529 -7.609 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.546 -16.099 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.165 -14.649 -8.672 1.00 0.00 H new ATOM 266 N SER A 27 -9.992 -17.356 -5.292 1.00 0.00 N ATOM 267 CA SER A 27 -9.878 -18.771 -4.950 1.00 0.00 C ATOM 268 C SER A 27 -11.117 -19.537 -5.405 1.00 0.00 C ATOM 269 O SER A 27 -11.022 -20.677 -5.855 1.00 0.00 O ATOM 270 CB SER A 27 -9.702 -18.930 -3.440 1.00 0.00 C ATOM 271 OG SER A 27 -9.704 -20.312 -3.111 1.00 0.00 O ATOM 0 H SER A 27 -10.199 -16.743 -4.504 1.00 0.00 H new ATOM 0 HA SER A 27 -9.007 -19.179 -5.462 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.767 -18.470 -3.121 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.506 -18.417 -2.912 1.00 0.00 H new ATOM 0 HG SER A 27 -9.590 -20.418 -2.143 1.00 0.00 H new ATOM 277 N ARG A 28 -12.277 -18.898 -5.290 1.00 0.00 N ATOM 278 CA ARG A 28 -13.530 -19.523 -5.701 1.00 0.00 C ATOM 279 C ARG A 28 -13.727 -19.373 -7.205 1.00 0.00 C ATOM 280 O ARG A 28 -14.492 -20.115 -7.821 1.00 0.00 O ATOM 281 CB ARG A 28 -14.706 -18.870 -4.964 1.00 0.00 C ATOM 282 CG ARG A 28 -14.621 -19.167 -3.454 1.00 0.00 C ATOM 283 CD ARG A 28 -15.331 -20.487 -3.130 1.00 0.00 C ATOM 284 NE ARG A 28 -14.904 -20.983 -1.827 1.00 0.00 N ATOM 285 CZ ARG A 28 -15.357 -20.438 -0.703 1.00 0.00 C ATOM 286 NH1 ARG A 28 -16.197 -19.440 -0.752 1.00 0.00 N ATOM 287 NH2 ARG A 28 -14.960 -20.900 0.452 1.00 0.00 N ATOM 0 H ARG A 28 -12.376 -17.953 -4.918 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.488 -20.583 -5.451 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.696 -17.793 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -15.648 -19.246 -5.363 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -13.577 -19.223 -3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -15.077 -18.353 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.411 -20.338 -3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.108 -21.226 -3.899 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.247 -21.761 -1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -16.506 -19.078 -1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -16.544 -19.023 0.112 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.302 -21.679 0.491 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.307 -20.482 1.315 1.00 0.00 H new ATOM 301 N ALA A 29 -13.030 -18.403 -7.786 1.00 0.00 N ATOM 302 CA ALA A 29 -13.130 -18.149 -9.218 1.00 0.00 C ATOM 303 C ALA A 29 -12.461 -19.263 -10.016 1.00 0.00 C ATOM 304 O ALA A 29 -12.743 -19.448 -11.200 1.00 0.00 O ATOM 305 CB ALA A 29 -12.475 -16.810 -9.564 1.00 0.00 C ATOM 0 H ALA A 29 -12.392 -17.782 -7.289 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.187 -18.115 -9.481 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.556 -16.632 -10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.978 -16.008 -9.024 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.423 -16.835 -9.279 1.00 0.00 H new ATOM 311 N LEU A 30 -11.574 -20.002 -9.361 1.00 0.00 N ATOM 312 CA LEU A 30 -10.872 -21.094 -10.024 1.00 0.00 C ATOM 313 C LEU A 30 -11.857 -22.156 -10.505 1.00 0.00 C ATOM 314 O LEU A 30 -11.575 -22.890 -11.452 1.00 0.00 O ATOM 315 CB LEU A 30 -9.863 -21.729 -9.063 1.00 0.00 C ATOM 316 CG LEU A 30 -9.070 -20.629 -8.343 1.00 0.00 C ATOM 317 CD1 LEU A 30 -7.996 -21.262 -7.449 1.00 0.00 C ATOM 318 CD2 LEU A 30 -8.399 -19.716 -9.377 1.00 0.00 C ATOM 0 H LEU A 30 -11.325 -19.867 -8.381 1.00 0.00 H new ATOM 0 HA LEU A 30 -10.345 -20.687 -10.887 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.382 -22.352 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.183 -22.380 -9.612 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.752 -20.043 -7.728 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.437 -20.477 -6.941 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.472 -21.906 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.316 -21.854 -8.061 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.837 -18.936 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.721 -20.304 -9.996 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.161 -19.258 -10.007 1.00 0.00 H new ATOM 330 N MET A 31 -13.015 -22.236 -9.845 1.00 0.00 N ATOM 331 CA MET A 31 -14.045 -23.216 -10.209 1.00 0.00 C ATOM 332 C MET A 31 -15.362 -22.521 -10.544 1.00 0.00 C ATOM 333 O MET A 31 -16.265 -23.129 -11.117 1.00 0.00 O ATOM 334 CB MET A 31 -14.267 -24.186 -9.047 1.00 0.00 C ATOM 335 CG MET A 31 -13.032 -25.076 -8.881 1.00 0.00 C ATOM 336 SD MET A 31 -13.324 -26.270 -7.552 1.00 0.00 S ATOM 337 CE MET A 31 -12.804 -25.212 -6.179 1.00 0.00 C ATOM 0 H MET A 31 -13.264 -21.637 -9.058 1.00 0.00 H new ATOM 0 HA MET A 31 -13.703 -23.762 -11.089 1.00 0.00 H new ATOM 0 HB2 MET A 31 -14.455 -23.632 -8.128 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.148 -24.800 -9.235 1.00 0.00 H new ATOM 0 HG2 MET A 31 -12.819 -25.598 -9.814 1.00 0.00 H new ATOM 0 HG3 MET A 31 -12.159 -24.466 -8.651 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.904 -25.758 -5.241 1.00 0.00 H new ATOM 0 HE2 MET A 31 -11.764 -24.919 -6.319 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.431 -24.321 -6.149 1.00 0.00 H new ATOM 347 N ASN A 32 -15.469 -21.245 -10.176 1.00 0.00 N ATOM 348 CA ASN A 32 -16.689 -20.479 -10.437 1.00 0.00 C ATOM 349 C ASN A 32 -16.369 -18.991 -10.590 1.00 0.00 C ATOM 350 O ASN A 32 -16.512 -18.223 -9.639 1.00 0.00 O ATOM 351 CB ASN A 32 -17.668 -20.664 -9.275 1.00 0.00 C ATOM 352 CG ASN A 32 -18.043 -22.137 -9.139 1.00 0.00 C ATOM 353 OD1 ASN A 32 -17.294 -22.915 -8.549 1.00 0.00 O ATOM 354 ND2 ASN A 32 -19.163 -22.566 -9.652 1.00 0.00 N ATOM 0 H ASN A 32 -14.733 -20.723 -9.700 1.00 0.00 H new ATOM 0 HA ASN A 32 -17.135 -20.842 -11.363 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -17.217 -20.308 -8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -18.564 -20.066 -9.444 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -19.420 -23.549 -9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -19.781 -21.918 -10.140 1.00 0.00 H new ATOM 361 N PRO A 33 -15.939 -18.567 -11.757 1.00 0.00 N ATOM 362 CA PRO A 33 -15.592 -17.137 -12.005 1.00 0.00 C ATOM 363 C PRO A 33 -16.831 -16.280 -12.259 1.00 0.00 C ATOM 364 O PRO A 33 -17.100 -15.876 -13.389 1.00 0.00 O ATOM 365 CB PRO A 33 -14.689 -17.208 -13.241 1.00 0.00 C ATOM 366 CG PRO A 33 -15.167 -18.406 -14.001 1.00 0.00 C ATOM 367 CD PRO A 33 -15.734 -19.392 -12.963 1.00 0.00 C ATOM 0 HA PRO A 33 -15.110 -16.666 -11.149 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.769 -16.302 -13.841 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.641 -17.312 -12.959 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.931 -18.125 -14.725 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -14.349 -18.861 -14.560 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -16.668 -19.837 -13.305 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -15.041 -20.212 -12.772 1.00 0.00 H new ATOM 375 N ASP A 34 -17.577 -16.006 -11.192 1.00 0.00 N ATOM 376 CA ASP A 34 -18.783 -15.193 -11.300 1.00 0.00 C ATOM 377 C ASP A 34 -19.176 -14.635 -9.935 1.00 0.00 C ATOM 378 O ASP A 34 -20.354 -14.395 -9.669 1.00 0.00 O ATOM 379 CB ASP A 34 -19.932 -16.035 -11.861 1.00 0.00 C ATOM 380 CG ASP A 34 -21.082 -15.130 -12.284 1.00 0.00 C ATOM 381 OD1 ASP A 34 -20.977 -14.524 -13.338 1.00 0.00 O ATOM 382 OD2 ASP A 34 -22.054 -15.056 -11.549 1.00 0.00 O ATOM 0 H ASP A 34 -17.369 -16.333 -10.249 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.580 -14.361 -11.975 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -19.584 -16.618 -12.714 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -20.275 -16.745 -11.108 1.00 0.00 H new ATOM 387 N LYS A 35 -18.180 -14.429 -9.072 1.00 0.00 N ATOM 388 CA LYS A 35 -18.422 -13.896 -7.726 1.00 0.00 C ATOM 389 C LYS A 35 -17.960 -12.448 -7.637 1.00 0.00 C ATOM 390 O LYS A 35 -18.432 -11.688 -6.790 1.00 0.00 O ATOM 391 CB LYS A 35 -17.669 -14.742 -6.690 1.00 0.00 C ATOM 392 CG LYS A 35 -18.225 -14.472 -5.278 1.00 0.00 C ATOM 393 CD LYS A 35 -19.419 -15.392 -4.992 1.00 0.00 C ATOM 394 CE LYS A 35 -19.927 -15.145 -3.571 1.00 0.00 C ATOM 395 NZ LYS A 35 -20.686 -13.864 -3.531 1.00 0.00 N ATOM 0 H LYS A 35 -17.200 -14.622 -9.278 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.492 -13.937 -7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.769 -15.800 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -16.605 -14.507 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.445 -14.636 -4.535 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -18.532 -13.429 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -20.216 -15.205 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -19.124 -16.435 -5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -20.566 -15.969 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.089 -15.105 -2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -21.159 -13.769 -2.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.031 -13.068 -3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -21.399 -13.859 -4.288 1.00 0.00 H new ATOM 409 N VAL A 36 -17.040 -12.070 -8.516 1.00 0.00 N ATOM 410 CA VAL A 36 -16.529 -10.707 -8.525 1.00 0.00 C ATOM 411 C VAL A 36 -17.642 -9.736 -8.913 1.00 0.00 C ATOM 412 O VAL A 36 -18.507 -10.059 -9.726 1.00 0.00 O ATOM 413 CB VAL A 36 -15.359 -10.587 -9.518 1.00 0.00 C ATOM 414 CG1 VAL A 36 -14.074 -11.131 -8.886 1.00 0.00 C ATOM 415 CG2 VAL A 36 -15.676 -11.391 -10.782 1.00 0.00 C ATOM 0 H VAL A 36 -16.636 -12.682 -9.225 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.171 -10.458 -7.526 1.00 0.00 H new ATOM 0 HB VAL A 36 -15.218 -9.537 -9.773 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.253 -11.041 -9.597 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.840 -10.560 -7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.213 -12.180 -8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -14.847 -11.306 -11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.823 -12.439 -10.520 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.584 -11.002 -11.243 1.00 0.00 H new ATOM 425 N SER A 37 -17.607 -8.546 -8.328 1.00 0.00 N ATOM 426 CA SER A 37 -18.611 -7.531 -8.617 1.00 0.00 C ATOM 427 C SER A 37 -18.521 -7.105 -10.076 1.00 0.00 C ATOM 428 O SER A 37 -17.469 -7.217 -10.694 1.00 0.00 O ATOM 429 CB SER A 37 -18.408 -6.312 -7.715 1.00 0.00 C ATOM 430 OG SER A 37 -19.520 -5.437 -7.852 1.00 0.00 O ATOM 0 H SER A 37 -16.897 -8.261 -7.653 1.00 0.00 H new ATOM 0 HA SER A 37 -19.597 -7.956 -8.427 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.304 -6.627 -6.677 1.00 0.00 H new ATOM 0 HB3 SER A 37 -17.488 -5.794 -7.985 1.00 0.00 H new ATOM 0 HG SER A 37 -19.394 -4.655 -7.274 1.00 0.00 H new ATOM 436 N GLN A 38 -19.633 -6.637 -10.623 1.00 0.00 N ATOM 437 CA GLN A 38 -19.672 -6.219 -12.020 1.00 0.00 C ATOM 438 C GLN A 38 -18.477 -5.333 -12.355 1.00 0.00 C ATOM 439 O GLN A 38 -17.714 -5.635 -13.271 1.00 0.00 O ATOM 440 CB GLN A 38 -20.971 -5.459 -12.305 1.00 0.00 C ATOM 441 CG GLN A 38 -22.143 -6.444 -12.338 1.00 0.00 C ATOM 442 CD GLN A 38 -22.216 -7.213 -11.023 1.00 0.00 C ATOM 443 OE1 GLN A 38 -21.735 -8.342 -10.936 1.00 0.00 O ATOM 444 NE2 GLN A 38 -22.794 -6.664 -9.989 1.00 0.00 N ATOM 0 H GLN A 38 -20.518 -6.537 -10.125 1.00 0.00 H new ATOM 0 HA GLN A 38 -19.629 -7.112 -12.643 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -21.139 -4.704 -11.537 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -20.896 -4.934 -13.257 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -23.076 -5.906 -12.506 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -22.021 -7.139 -13.169 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -23.192 -5.728 -10.064 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -22.848 -7.171 -9.106 1.00 0.00 H new ATOM 453 N ALA A 39 -18.314 -4.243 -11.618 1.00 0.00 N ATOM 454 CA ALA A 39 -17.194 -3.350 -11.879 1.00 0.00 C ATOM 455 C ALA A 39 -15.883 -4.112 -11.721 1.00 0.00 C ATOM 456 O ALA A 39 -15.027 -4.091 -12.605 1.00 0.00 O ATOM 457 CB ALA A 39 -17.222 -2.165 -10.904 1.00 0.00 C ATOM 0 H ALA A 39 -18.926 -3.960 -10.853 1.00 0.00 H new ATOM 0 HA ALA A 39 -17.274 -2.971 -12.898 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -16.379 -1.505 -11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.154 -1.614 -11.028 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -17.153 -2.534 -9.881 1.00 0.00 H new ATOM 463 N THR A 40 -15.736 -4.779 -10.583 1.00 0.00 N ATOM 464 CA THR A 40 -14.531 -5.546 -10.294 1.00 0.00 C ATOM 465 C THR A 40 -14.352 -6.692 -11.289 1.00 0.00 C ATOM 466 O THR A 40 -13.245 -7.194 -11.473 1.00 0.00 O ATOM 467 CB THR A 40 -14.608 -6.111 -8.874 1.00 0.00 C ATOM 468 OG1 THR A 40 -14.681 -5.038 -7.944 1.00 0.00 O ATOM 469 CG2 THR A 40 -13.368 -6.958 -8.580 1.00 0.00 C ATOM 0 H THR A 40 -16.438 -4.804 -9.844 1.00 0.00 H new ATOM 0 HA THR A 40 -13.674 -4.878 -10.383 1.00 0.00 H new ATOM 0 HB THR A 40 -15.496 -6.737 -8.784 1.00 0.00 H new ATOM 0 HG1 THR A 40 -14.732 -5.397 -7.034 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.431 -7.356 -7.567 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.313 -7.782 -9.291 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.475 -6.340 -8.672 1.00 0.00 H new ATOM 477 N ARG A 41 -15.447 -7.101 -11.925 1.00 0.00 N ATOM 478 CA ARG A 41 -15.397 -8.189 -12.898 1.00 0.00 C ATOM 479 C ARG A 41 -14.694 -7.746 -14.176 1.00 0.00 C ATOM 480 O ARG A 41 -13.972 -8.522 -14.802 1.00 0.00 O ATOM 481 CB ARG A 41 -16.811 -8.670 -13.234 1.00 0.00 C ATOM 482 CG ARG A 41 -16.729 -9.925 -14.105 1.00 0.00 C ATOM 483 CD ARG A 41 -18.131 -10.502 -14.305 1.00 0.00 C ATOM 484 NE ARG A 41 -19.034 -9.472 -14.805 1.00 0.00 N ATOM 485 CZ ARG A 41 -20.176 -9.791 -15.405 1.00 0.00 C ATOM 486 NH1 ARG A 41 -20.505 -11.045 -15.557 1.00 0.00 N ATOM 487 NH2 ARG A 41 -20.968 -8.851 -15.842 1.00 0.00 N ATOM 0 H ARG A 41 -16.374 -6.699 -11.786 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.833 -9.009 -12.453 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -17.361 -8.885 -12.318 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.359 -7.886 -13.757 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.284 -9.682 -15.070 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -16.084 -10.666 -13.633 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.093 -11.334 -15.008 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.507 -10.898 -13.362 1.00 0.00 H new ATOM 0 HE ARG A 41 -18.785 -8.489 -14.692 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.886 -11.780 -15.215 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -21.382 -11.290 -16.017 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.711 -7.871 -15.723 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.845 -9.096 -16.303 1.00 0.00 H new ATOM 501 N ASN A 42 -14.923 -6.502 -14.571 1.00 0.00 N ATOM 502 CA ASN A 42 -14.309 -5.982 -15.785 1.00 0.00 C ATOM 503 C ASN A 42 -12.827 -5.689 -15.568 1.00 0.00 C ATOM 504 O ASN A 42 -12.003 -5.930 -16.451 1.00 0.00 O ATOM 505 CB ASN A 42 -15.025 -4.706 -16.235 1.00 0.00 C ATOM 506 CG ASN A 42 -14.362 -4.152 -17.491 1.00 0.00 C ATOM 507 OD1 ASN A 42 -14.838 -4.392 -18.601 1.00 0.00 O ATOM 508 ND2 ASN A 42 -13.287 -3.422 -17.382 1.00 0.00 N ATOM 0 H ASN A 42 -15.522 -5.841 -14.076 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.402 -6.742 -16.560 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -16.076 -4.919 -16.432 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -14.994 -3.962 -15.439 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -12.838 -3.048 -18.218 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.895 -3.225 -16.461 1.00 0.00 H new ATOM 515 N ARG A 43 -12.491 -5.160 -14.397 1.00 0.00 N ATOM 516 CA ARG A 43 -11.108 -4.828 -14.083 1.00 0.00 C ATOM 517 C ARG A 43 -10.242 -6.080 -14.039 1.00 0.00 C ATOM 518 O ARG A 43 -9.164 -6.115 -14.632 1.00 0.00 O ATOM 519 CB ARG A 43 -11.044 -4.104 -12.732 1.00 0.00 C ATOM 520 CG ARG A 43 -9.605 -3.647 -12.436 1.00 0.00 C ATOM 521 CD ARG A 43 -9.139 -2.622 -13.482 1.00 0.00 C ATOM 522 NE ARG A 43 -8.129 -1.743 -12.903 1.00 0.00 N ATOM 523 CZ ARG A 43 -8.462 -0.772 -12.059 1.00 0.00 C ATOM 524 NH1 ARG A 43 -9.713 -0.593 -11.734 1.00 0.00 N ATOM 525 NH2 ARG A 43 -7.539 -0.001 -11.556 1.00 0.00 N ATOM 0 H ARG A 43 -13.156 -4.953 -13.652 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.725 -4.175 -14.867 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.711 -3.242 -12.742 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.392 -4.767 -11.940 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.555 -3.207 -11.440 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.936 -4.508 -12.439 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.730 -3.137 -14.351 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.988 -2.034 -13.831 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.149 -1.876 -13.151 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.434 -1.198 -12.128 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.970 0.152 -11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.561 -0.143 -11.810 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.794 0.744 -10.908 1.00 0.00 H new ATOM 539 N VAL A 44 -10.708 -7.106 -13.335 1.00 0.00 N ATOM 540 CA VAL A 44 -9.935 -8.340 -13.238 1.00 0.00 C ATOM 541 C VAL A 44 -9.763 -8.959 -14.621 1.00 0.00 C ATOM 542 O VAL A 44 -8.669 -9.392 -14.984 1.00 0.00 O ATOM 543 CB VAL A 44 -10.603 -9.344 -12.287 1.00 0.00 C ATOM 544 CG1 VAL A 44 -10.698 -8.742 -10.879 1.00 0.00 C ATOM 545 CG2 VAL A 44 -12.006 -9.681 -12.791 1.00 0.00 C ATOM 0 H VAL A 44 -11.596 -7.111 -12.834 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.955 -8.094 -12.830 1.00 0.00 H new ATOM 0 HB VAL A 44 -10.003 -10.253 -12.253 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.173 -9.458 -10.208 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.697 -8.511 -10.514 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.292 -7.828 -10.913 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -12.475 -10.394 -12.112 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.606 -8.772 -12.833 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -11.939 -10.118 -13.787 1.00 0.00 H new ATOM 555 N GLU A 45 -10.849 -9.005 -15.386 1.00 0.00 N ATOM 556 CA GLU A 45 -10.798 -9.583 -16.726 1.00 0.00 C ATOM 557 C GLU A 45 -9.654 -8.980 -17.535 1.00 0.00 C ATOM 558 O GLU A 45 -8.846 -9.706 -18.115 1.00 0.00 O ATOM 559 CB GLU A 45 -12.123 -9.343 -17.461 1.00 0.00 C ATOM 560 CG GLU A 45 -12.026 -9.890 -18.887 1.00 0.00 C ATOM 561 CD GLU A 45 -13.412 -9.931 -19.525 1.00 0.00 C ATOM 562 OE1 GLU A 45 -13.809 -8.927 -20.092 1.00 0.00 O ATOM 563 OE2 GLU A 45 -14.052 -10.965 -19.435 1.00 0.00 O ATOM 0 H GLU A 45 -11.765 -8.654 -15.107 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.630 -10.655 -16.622 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.939 -9.831 -16.928 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.350 -8.277 -17.484 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.361 -9.263 -19.481 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.593 -10.890 -18.873 1.00 0.00 H new ATOM 570 N LYS A 46 -9.581 -7.651 -17.570 1.00 0.00 N ATOM 571 CA LYS A 46 -8.520 -6.972 -18.310 1.00 0.00 C ATOM 572 C LYS A 46 -7.172 -7.128 -17.607 1.00 0.00 C ATOM 573 O LYS A 46 -6.128 -7.205 -18.254 1.00 0.00 O ATOM 574 CB LYS A 46 -8.855 -5.482 -18.451 1.00 0.00 C ATOM 575 CG LYS A 46 -10.021 -5.285 -19.444 1.00 0.00 C ATOM 576 CD LYS A 46 -9.484 -5.161 -20.877 1.00 0.00 C ATOM 577 CE LYS A 46 -10.656 -5.114 -21.859 1.00 0.00 C ATOM 578 NZ LYS A 46 -11.753 -4.283 -21.286 1.00 0.00 N ATOM 0 H LYS A 46 -10.237 -7.028 -17.099 1.00 0.00 H new ATOM 0 HA LYS A 46 -8.449 -7.429 -19.297 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.123 -5.069 -17.478 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.977 -4.936 -18.798 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.710 -6.127 -19.378 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.585 -4.390 -19.181 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.879 -4.260 -20.973 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.836 -6.006 -21.108 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.329 -4.697 -22.812 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.017 -6.123 -22.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.376 -3.955 -22.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.304 -4.852 -20.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.346 -3.462 -20.795 1.00 0.00 H new ATOM 592 N ALA A 47 -7.204 -7.166 -16.277 1.00 0.00 N ATOM 593 CA ALA A 47 -5.982 -7.303 -15.491 1.00 0.00 C ATOM 594 C ALA A 47 -5.415 -8.713 -15.601 1.00 0.00 C ATOM 595 O ALA A 47 -4.228 -8.931 -15.367 1.00 0.00 O ATOM 596 CB ALA A 47 -6.265 -6.978 -14.021 1.00 0.00 C ATOM 0 H ALA A 47 -8.059 -7.104 -15.724 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.246 -6.602 -15.886 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.347 -7.083 -13.442 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.631 -5.955 -13.939 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.018 -7.665 -13.635 1.00 0.00 H new ATOM 602 N ALA A 48 -6.269 -9.667 -15.962 1.00 0.00 N ATOM 603 CA ALA A 48 -5.832 -11.053 -16.099 1.00 0.00 C ATOM 604 C ALA A 48 -4.942 -11.222 -17.328 1.00 0.00 C ATOM 605 O ALA A 48 -3.970 -11.976 -17.302 1.00 0.00 O ATOM 606 CB ALA A 48 -7.048 -11.974 -16.217 1.00 0.00 C ATOM 0 H ALA A 48 -7.256 -9.509 -16.163 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.257 -11.319 -15.212 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.714 -13.007 -16.319 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.665 -11.879 -15.323 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.633 -11.694 -17.093 1.00 0.00 H new ATOM 612 N ARG A 49 -5.281 -10.517 -18.403 1.00 0.00 N ATOM 613 CA ARG A 49 -4.501 -10.600 -19.634 1.00 0.00 C ATOM 614 C ARG A 49 -3.167 -9.878 -19.469 1.00 0.00 C ATOM 615 O ARG A 49 -2.137 -10.338 -19.963 1.00 0.00 O ATOM 616 CB ARG A 49 -5.286 -9.976 -20.791 1.00 0.00 C ATOM 617 CG ARG A 49 -4.519 -10.171 -22.103 1.00 0.00 C ATOM 618 CD ARG A 49 -5.326 -9.579 -23.259 1.00 0.00 C ATOM 619 NE ARG A 49 -5.294 -8.122 -23.202 1.00 0.00 N ATOM 620 CZ ARG A 49 -4.233 -7.442 -23.621 1.00 0.00 C ATOM 621 NH1 ARG A 49 -3.194 -8.075 -24.092 1.00 0.00 N ATOM 622 NH2 ARG A 49 -4.229 -6.137 -23.560 1.00 0.00 N ATOM 0 H ARG A 49 -6.082 -9.888 -18.448 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.308 -11.650 -19.853 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.272 -10.436 -20.864 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.443 -8.913 -20.605 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.544 -9.688 -22.042 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.339 -11.232 -22.277 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.918 -9.922 -24.210 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.357 -9.930 -23.209 1.00 0.00 H new ATOM 0 HE ARG A 49 -6.100 -7.617 -22.834 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.196 -9.094 -24.139 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.380 -7.551 -24.413 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.040 -5.641 -23.191 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.415 -5.614 -23.882 1.00 0.00 H new ATOM 636 N GLU A 50 -3.195 -8.748 -18.772 1.00 0.00 N ATOM 637 CA GLU A 50 -1.987 -7.970 -18.546 1.00 0.00 C ATOM 638 C GLU A 50 -0.900 -8.832 -17.912 1.00 0.00 C ATOM 639 O GLU A 50 0.257 -8.798 -18.332 1.00 0.00 O ATOM 640 CB GLU A 50 -2.299 -6.783 -17.631 1.00 0.00 C ATOM 641 CG GLU A 50 -1.066 -5.889 -17.530 1.00 0.00 C ATOM 642 CD GLU A 50 -1.392 -4.636 -16.728 1.00 0.00 C ATOM 643 OE1 GLU A 50 -1.931 -4.775 -15.641 1.00 0.00 O ATOM 644 OE2 GLU A 50 -1.100 -3.554 -17.210 1.00 0.00 O ATOM 0 H GLU A 50 -4.038 -8.353 -18.356 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.626 -7.606 -19.508 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.142 -6.216 -18.026 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.588 -7.137 -16.642 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.251 -6.433 -17.053 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.725 -5.613 -18.528 1.00 0.00 H new ATOM 651 N VAL A 51 -1.279 -9.604 -16.897 1.00 0.00 N ATOM 652 CA VAL A 51 -0.325 -10.471 -16.215 1.00 0.00 C ATOM 653 C VAL A 51 -0.013 -11.699 -17.063 1.00 0.00 C ATOM 654 O VAL A 51 0.786 -12.550 -16.672 1.00 0.00 O ATOM 655 CB VAL A 51 -0.887 -10.908 -14.860 1.00 0.00 C ATOM 656 CG1 VAL A 51 -1.060 -9.686 -13.955 1.00 0.00 C ATOM 657 CG2 VAL A 51 -2.244 -11.586 -15.066 1.00 0.00 C ATOM 0 H VAL A 51 -2.230 -9.647 -16.532 1.00 0.00 H new ATOM 0 HA VAL A 51 0.597 -9.911 -16.059 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.196 -11.609 -14.392 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.460 -10.001 -12.991 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.094 -9.203 -13.807 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.749 -8.982 -14.422 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.645 -11.898 -14.102 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.933 -10.885 -15.536 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.121 -12.459 -15.707 1.00 0.00 H new ATOM 667 N GLY A 52 -0.648 -11.783 -18.228 1.00 0.00 N ATOM 668 CA GLY A 52 -0.430 -12.910 -19.126 1.00 0.00 C ATOM 669 C GLY A 52 -0.446 -14.232 -18.365 1.00 0.00 C ATOM 670 O GLY A 52 0.475 -15.039 -18.486 1.00 0.00 O ATOM 0 H GLY A 52 -1.313 -11.089 -18.570 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.202 -12.921 -19.895 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.526 -12.792 -19.636 1.00 0.00 H new ATOM 674 N TYR A 53 -1.500 -14.448 -17.584 1.00 0.00 N ATOM 675 CA TYR A 53 -1.627 -15.683 -16.810 1.00 0.00 C ATOM 676 C TYR A 53 -2.184 -16.803 -17.683 1.00 0.00 C ATOM 677 O TYR A 53 -3.198 -16.629 -18.360 1.00 0.00 O ATOM 678 CB TYR A 53 -2.553 -15.466 -15.609 1.00 0.00 C ATOM 679 CG TYR A 53 -2.605 -16.730 -14.782 1.00 0.00 C ATOM 680 CD1 TYR A 53 -1.490 -17.118 -14.031 1.00 0.00 C ATOM 681 CD2 TYR A 53 -3.765 -17.515 -14.770 1.00 0.00 C ATOM 682 CE1 TYR A 53 -1.535 -18.289 -13.265 1.00 0.00 C ATOM 683 CE2 TYR A 53 -3.809 -18.686 -14.004 1.00 0.00 C ATOM 684 CZ TYR A 53 -2.695 -19.073 -13.253 1.00 0.00 C ATOM 685 OH TYR A 53 -2.739 -20.228 -12.498 1.00 0.00 O ATOM 0 H TYR A 53 -2.273 -13.792 -17.469 1.00 0.00 H new ATOM 0 HA TYR A 53 -0.636 -15.965 -16.454 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.192 -14.636 -15.002 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.553 -15.200 -15.950 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.595 -16.514 -14.042 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.625 -17.217 -15.351 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.675 -18.588 -12.684 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.704 -19.291 -13.993 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.616 -20.652 -12.600 1.00 0.00 H new ATOM 695 N LEU A 54 -1.510 -17.954 -17.667 1.00 0.00 N ATOM 696 CA LEU A 54 -1.936 -19.108 -18.463 1.00 0.00 C ATOM 697 C LEU A 54 -1.937 -20.373 -17.595 1.00 0.00 C ATOM 698 O LEU A 54 -1.166 -20.468 -16.641 1.00 0.00 O ATOM 699 CB LEU A 54 -0.971 -19.295 -19.645 1.00 0.00 C ATOM 700 CG LEU A 54 -1.255 -18.242 -20.743 1.00 0.00 C ATOM 701 CD1 LEU A 54 0.032 -17.939 -21.520 1.00 0.00 C ATOM 702 CD2 LEU A 54 -2.311 -18.768 -21.728 1.00 0.00 C ATOM 0 H LEU A 54 -0.668 -18.113 -17.113 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.945 -18.934 -18.837 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.059 -19.202 -19.300 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.080 -20.298 -20.057 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.624 -17.336 -20.262 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.175 -17.197 -22.291 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.787 -17.551 -20.836 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.400 -18.853 -21.985 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.500 -18.016 -22.494 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.947 -19.682 -22.198 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.236 -18.980 -21.191 1.00 0.00 H new ATOM 714 N PRO A 55 -2.776 -21.339 -17.898 1.00 0.00 N ATOM 715 CA PRO A 55 -2.847 -22.607 -17.111 1.00 0.00 C ATOM 716 C PRO A 55 -1.628 -23.497 -17.354 1.00 0.00 C ATOM 717 O PRO A 55 -0.567 -22.957 -17.622 1.00 0.00 O ATOM 718 CB PRO A 55 -4.135 -23.271 -17.616 1.00 0.00 C ATOM 719 CG PRO A 55 -4.293 -22.769 -19.017 1.00 0.00 C ATOM 720 CD PRO A 55 -3.745 -21.339 -19.013 1.00 0.00 C ATOM 0 HA PRO A 55 -2.853 -22.431 -16.035 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.057 -24.358 -17.591 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.990 -22.998 -16.998 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -3.745 -23.396 -19.721 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.339 -22.786 -19.323 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -3.266 -21.091 -19.960 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.537 -20.607 -18.855 1.00 0.00 H new TER 728 PRO A 55