USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 Single : A 21 LYS NZ :NH3+ 145:sc= -0.0901 (180deg=-0.681) USER MOD Single : A 25 THR OG1 : rot 62:sc= 0.596 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -119:sc= -1.01 (180deg=-2.65!) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 48 ASN : amide:sc= -16.6! C(o=-17!,f=-18!) USER MOD Single : A 49 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.9) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 57:sc= 0.859 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -170:sc= -0.174 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.96! K(o=-3!,f=-1.4) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 0.432 19.323 -5.323 1.00 0.00 N ATOM 2 CA LYS A 21 -0.352 18.065 -5.521 1.00 0.00 C ATOM 3 C LYS A 21 -0.448 17.855 -7.021 1.00 0.00 C ATOM 4 O LYS A 21 -0.482 16.760 -7.529 1.00 0.00 O ATOM 5 CB LYS A 21 -1.768 18.205 -4.898 1.00 0.00 C ATOM 6 CG LYS A 21 -1.874 17.405 -3.576 1.00 0.00 C ATOM 7 CD LYS A 21 -2.362 15.979 -3.860 1.00 0.00 C ATOM 8 CE LYS A 21 -2.368 15.173 -2.559 1.00 0.00 C ATOM 9 NZ LYS A 21 -3.158 15.902 -1.527 1.00 0.00 N ATOM 0 HA LYS A 21 0.130 17.217 -5.035 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.984 19.257 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.517 17.848 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.903 17.374 -3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.562 17.904 -2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.364 16.005 -4.289 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.713 15.501 -4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.798 14.186 -2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.347 15.019 -2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.660 15.217 -0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.518 16.473 -0.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.848 16.525 -1.994 1.00 0.00 H new ATOM 23 N LEU A 22 -0.470 18.941 -7.697 1.00 0.00 N ATOM 24 CA LEU A 22 -0.551 18.974 -9.174 1.00 0.00 C ATOM 25 C LEU A 22 0.384 17.944 -9.828 1.00 0.00 C ATOM 26 O LEU A 22 -0.058 17.055 -10.516 1.00 0.00 O ATOM 27 CB LEU A 22 -0.107 20.383 -9.540 1.00 0.00 C ATOM 28 CG LEU A 22 0.309 20.499 -11.011 1.00 0.00 C ATOM 29 CD1 LEU A 22 -0.796 19.942 -11.922 1.00 0.00 C ATOM 30 CD2 LEU A 22 0.547 21.976 -11.344 1.00 0.00 C ATOM 0 H LEU A 22 -0.433 19.866 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.554 18.729 -9.523 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.919 21.081 -9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.729 20.675 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 22 1.221 19.925 -11.174 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.488 20.030 -12.964 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.970 18.893 -11.683 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.715 20.507 -11.766 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.844 22.070 -12.389 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.371 22.540 -11.175 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.338 22.370 -10.705 1.00 0.00 H new ATOM 42 N LEU A 23 1.671 18.068 -9.649 1.00 0.00 N ATOM 43 CA LEU A 23 2.606 17.104 -10.297 1.00 0.00 C ATOM 44 C LEU A 23 2.741 15.914 -9.386 1.00 0.00 C ATOM 45 O LEU A 23 2.867 14.782 -9.808 1.00 0.00 O ATOM 46 CB LEU A 23 3.955 17.793 -10.500 1.00 0.00 C ATOM 47 CG LEU A 23 4.985 16.831 -11.108 1.00 0.00 C ATOM 48 CD1 LEU A 23 4.554 16.419 -12.525 1.00 0.00 C ATOM 49 CD2 LEU A 23 6.342 17.539 -11.177 1.00 0.00 C ATOM 0 H LEU A 23 2.114 18.792 -9.084 1.00 0.00 H new ATOM 0 HA LEU A 23 2.236 16.776 -11.268 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.830 18.657 -11.153 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.323 18.167 -9.544 1.00 0.00 H new ATOM 0 HG LEU A 23 5.056 15.938 -10.487 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.292 15.737 -12.946 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.585 15.922 -12.481 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.479 17.306 -13.155 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.083 16.865 -11.608 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.256 18.430 -11.800 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.654 17.827 -10.173 1.00 0.00 H new ATOM 61 N ILE A 24 2.688 16.176 -8.131 1.00 0.00 N ATOM 62 CA ILE A 24 2.782 15.098 -7.138 1.00 0.00 C ATOM 63 C ILE A 24 1.597 14.160 -7.380 1.00 0.00 C ATOM 64 O ILE A 24 1.577 13.030 -6.937 1.00 0.00 O ATOM 65 CB ILE A 24 2.724 15.724 -5.721 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.010 17.250 -5.815 1.00 0.00 C ATOM 67 CG2 ILE A 24 3.759 15.048 -4.805 1.00 0.00 C ATOM 68 CD1 ILE A 24 3.386 17.811 -4.437 1.00 0.00 C ATOM 0 H ILE A 24 2.581 17.112 -7.740 1.00 0.00 H new ATOM 0 HA ILE A 24 3.714 14.539 -7.223 1.00 0.00 H new ATOM 0 HB ILE A 24 1.730 15.571 -5.300 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.820 17.432 -6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.131 17.768 -6.198 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.712 15.494 -3.811 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.542 13.982 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.758 15.189 -5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.583 18.880 -4.521 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.564 17.647 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.279 17.305 -4.070 1.00 0.00 H new ATOM 80 N THR A 25 0.606 14.639 -8.094 1.00 0.00 N ATOM 81 CA THR A 25 -0.597 13.796 -8.390 1.00 0.00 C ATOM 82 C THR A 25 -0.475 13.186 -9.793 1.00 0.00 C ATOM 83 O THR A 25 -0.947 12.095 -10.042 1.00 0.00 O ATOM 84 CB THR A 25 -1.855 14.667 -8.329 1.00 0.00 C ATOM 85 OG1 THR A 25 -2.060 15.106 -6.994 1.00 0.00 O ATOM 86 CG2 THR A 25 -3.069 13.856 -8.788 1.00 0.00 C ATOM 0 H THR A 25 0.578 15.580 -8.486 1.00 0.00 H new ATOM 0 HA THR A 25 -0.663 12.996 -7.652 1.00 0.00 H new ATOM 0 HB THR A 25 -1.728 15.529 -8.984 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.300 15.655 -6.710 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.962 14.480 -8.743 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.914 13.518 -9.813 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.197 12.992 -8.136 1.00 0.00 H new ATOM 94 N ILE A 26 0.144 13.875 -10.716 1.00 0.00 N ATOM 95 CA ILE A 26 0.275 13.317 -12.097 1.00 0.00 C ATOM 96 C ILE A 26 1.407 12.322 -12.097 1.00 0.00 C ATOM 97 O ILE A 26 1.361 11.269 -12.702 1.00 0.00 O ATOM 98 CB ILE A 26 0.615 14.467 -13.078 1.00 0.00 C ATOM 99 CG1 ILE A 26 -0.672 15.172 -13.591 1.00 0.00 C ATOM 100 CG2 ILE A 26 1.391 13.928 -14.300 1.00 0.00 C ATOM 101 CD1 ILE A 26 -1.755 15.281 -12.506 1.00 0.00 C ATOM 0 H ILE A 26 0.563 14.795 -10.576 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.655 12.838 -12.403 1.00 0.00 H new ATOM 0 HB ILE A 26 1.227 15.183 -12.530 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.418 16.170 -13.948 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.070 14.620 -14.443 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.620 14.751 -14.977 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.319 13.463 -13.966 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.782 13.189 -14.821 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.632 15.781 -12.916 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.032 14.283 -12.167 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.370 15.857 -11.664 1.00 0.00 H new ATOM 113 N HIS A 27 2.433 12.706 -11.457 1.00 0.00 N ATOM 114 CA HIS A 27 3.652 11.889 -11.401 1.00 0.00 C ATOM 115 C HIS A 27 3.470 10.706 -10.438 1.00 0.00 C ATOM 116 O HIS A 27 4.257 9.780 -10.433 1.00 0.00 O ATOM 117 CB HIS A 27 4.776 12.826 -10.946 1.00 0.00 C ATOM 118 CG HIS A 27 6.056 12.502 -11.655 1.00 0.00 C ATOM 119 ND1 HIS A 27 7.082 11.774 -11.075 1.00 0.00 N ATOM 120 CD2 HIS A 27 6.478 12.814 -12.918 1.00 0.00 C ATOM 121 CE1 HIS A 27 8.068 11.674 -11.987 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.749 12.292 -13.131 1.00 0.00 N ATOM 0 H HIS A 27 2.490 13.587 -10.946 1.00 0.00 H new ATOM 0 HA HIS A 27 3.888 11.453 -12.372 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.496 13.861 -11.145 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.918 12.735 -9.869 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.910 13.380 -13.641 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.002 11.158 -11.816 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.316 12.364 -13.976 1.00 0.00 H new ATOM 130 N ASP A 28 2.432 10.720 -9.634 1.00 0.00 N ATOM 131 CA ASP A 28 2.194 9.583 -8.686 1.00 0.00 C ATOM 132 C ASP A 28 1.059 8.709 -9.218 1.00 0.00 C ATOM 133 O ASP A 28 1.165 7.499 -9.258 1.00 0.00 O ATOM 134 CB ASP A 28 1.804 10.120 -7.310 1.00 0.00 C ATOM 135 CG ASP A 28 2.998 10.845 -6.686 1.00 0.00 C ATOM 136 OD1 ASP A 28 3.896 11.212 -7.426 1.00 0.00 O ATOM 137 OD2 ASP A 28 2.994 11.019 -5.478 1.00 0.00 O ATOM 0 H ASP A 28 1.740 11.468 -9.593 1.00 0.00 H new ATOM 0 HA ASP A 28 3.109 8.997 -8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.958 10.802 -7.401 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.485 9.301 -6.665 1.00 0.00 H new ATOM 142 N ARG A 29 -0.031 9.305 -9.633 1.00 0.00 N ATOM 143 CA ARG A 29 -1.159 8.487 -10.161 1.00 0.00 C ATOM 144 C ARG A 29 -0.613 7.525 -11.217 1.00 0.00 C ATOM 145 O ARG A 29 -1.255 6.572 -11.600 1.00 0.00 O ATOM 146 CB ARG A 29 -2.241 9.395 -10.768 1.00 0.00 C ATOM 147 CG ARG A 29 -1.814 9.879 -12.160 1.00 0.00 C ATOM 148 CD ARG A 29 -2.672 11.076 -12.581 1.00 0.00 C ATOM 149 NE ARG A 29 -2.136 11.648 -13.848 1.00 0.00 N ATOM 150 CZ ARG A 29 -2.863 12.473 -14.551 1.00 0.00 C ATOM 151 NH1 ARG A 29 -4.059 12.800 -14.141 1.00 0.00 N ATOM 152 NH2 ARG A 29 -2.394 12.972 -15.662 1.00 0.00 N ATOM 0 H ARG A 29 -0.186 10.313 -9.628 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.615 7.920 -9.349 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.183 8.852 -10.838 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.414 10.251 -10.116 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.761 10.161 -12.150 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.921 9.071 -12.884 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.707 10.765 -12.719 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.669 11.833 -11.797 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.201 11.395 -14.166 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.424 12.411 -13.272 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.628 13.445 -14.690 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.459 12.717 -15.981 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -2.962 13.617 -16.211 1.00 0.00 H new ATOM 166 N LYS A 30 0.578 7.772 -11.682 1.00 0.00 N ATOM 167 CA LYS A 30 1.176 6.871 -12.701 1.00 0.00 C ATOM 168 C LYS A 30 1.175 5.455 -12.135 1.00 0.00 C ATOM 169 O LYS A 30 0.756 4.515 -12.778 1.00 0.00 O ATOM 170 CB LYS A 30 2.613 7.308 -12.998 1.00 0.00 C ATOM 171 CG LYS A 30 3.108 6.610 -14.267 1.00 0.00 C ATOM 172 CD LYS A 30 4.626 6.769 -14.381 1.00 0.00 C ATOM 173 CE LYS A 30 4.981 8.249 -14.548 1.00 0.00 C ATOM 174 NZ LYS A 30 6.373 8.370 -15.067 1.00 0.00 N ATOM 0 H LYS A 30 1.163 8.559 -11.400 1.00 0.00 H new ATOM 0 HA LYS A 30 0.602 6.910 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.656 8.390 -13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.261 7.059 -12.157 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.844 5.553 -14.239 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.621 7.038 -15.143 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.111 6.367 -13.491 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.998 6.198 -15.232 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.282 8.726 -15.235 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.891 8.766 -13.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.615 9.375 -15.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.033 7.929 -14.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.443 7.891 -15.987 1.00 0.00 H new ATOM 188 N GLU A 31 1.624 5.306 -10.920 1.00 0.00 N ATOM 189 CA GLU A 31 1.634 3.962 -10.286 1.00 0.00 C ATOM 190 C GLU A 31 0.209 3.616 -9.858 1.00 0.00 C ATOM 191 O GLU A 31 -0.271 2.521 -10.073 1.00 0.00 O ATOM 192 CB GLU A 31 2.538 3.990 -9.053 1.00 0.00 C ATOM 193 CG GLU A 31 3.857 4.684 -9.402 1.00 0.00 C ATOM 194 CD GLU A 31 4.852 4.495 -8.255 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.918 3.396 -7.730 1.00 0.00 O ATOM 196 OE2 GLU A 31 5.530 5.453 -7.921 1.00 0.00 O ATOM 0 H GLU A 31 1.986 6.062 -10.338 1.00 0.00 H new ATOM 0 HA GLU A 31 2.006 3.218 -10.991 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.042 4.517 -8.238 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.730 2.974 -8.706 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.265 4.270 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.686 5.746 -9.578 1.00 0.00 H new ATOM 203 N PHE A 32 -0.470 4.552 -9.252 1.00 0.00 N ATOM 204 CA PHE A 32 -1.866 4.294 -8.807 1.00 0.00 C ATOM 205 C PHE A 32 -2.701 3.909 -10.021 1.00 0.00 C ATOM 206 O PHE A 32 -3.484 2.981 -9.998 1.00 0.00 O ATOM 207 CB PHE A 32 -2.429 5.568 -8.140 1.00 0.00 C ATOM 208 CG PHE A 32 -3.317 5.198 -6.964 1.00 0.00 C ATOM 209 CD1 PHE A 32 -4.439 4.387 -7.167 1.00 0.00 C ATOM 210 CD2 PHE A 32 -3.016 5.666 -5.678 1.00 0.00 C ATOM 211 CE1 PHE A 32 -5.260 4.042 -6.087 1.00 0.00 C ATOM 212 CE2 PHE A 32 -3.837 5.322 -4.597 1.00 0.00 C ATOM 213 CZ PHE A 32 -4.959 4.510 -4.802 1.00 0.00 C ATOM 0 H PHE A 32 -0.116 5.486 -9.046 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.894 3.480 -8.082 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.610 6.202 -7.801 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.999 6.146 -8.867 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.672 4.027 -8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.150 6.292 -5.520 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.125 3.415 -6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -3.605 5.683 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.593 4.244 -3.969 1.00 0.00 H new ATOM 223 N ALA A 33 -2.518 4.624 -11.078 1.00 0.00 N ATOM 224 CA ALA A 33 -3.272 4.333 -12.325 1.00 0.00 C ATOM 225 C ALA A 33 -2.752 3.030 -12.934 1.00 0.00 C ATOM 226 O ALA A 33 -3.428 2.383 -13.701 1.00 0.00 O ATOM 227 CB ALA A 33 -3.075 5.478 -13.321 1.00 0.00 C ATOM 0 H ALA A 33 -1.871 5.410 -11.140 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.333 4.233 -12.097 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.628 5.264 -14.235 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.441 6.407 -12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.015 5.580 -13.554 1.00 0.00 H new ATOM 233 N LYS A 34 -1.552 2.641 -12.601 1.00 0.00 N ATOM 234 CA LYS A 34 -0.998 1.373 -13.162 1.00 0.00 C ATOM 235 C LYS A 34 -1.434 0.192 -12.293 1.00 0.00 C ATOM 236 O LYS A 34 -2.114 -0.708 -12.747 1.00 0.00 O ATOM 237 CB LYS A 34 0.533 1.444 -13.187 1.00 0.00 C ATOM 238 CG LYS A 34 1.110 0.242 -13.961 1.00 0.00 C ATOM 239 CD LYS A 34 2.566 -0.022 -13.527 1.00 0.00 C ATOM 240 CE LYS A 34 2.597 -0.914 -12.280 1.00 0.00 C ATOM 241 NZ LYS A 34 4.011 -1.246 -11.944 1.00 0.00 N ATOM 0 H LYS A 34 -0.931 3.144 -11.967 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.373 1.238 -14.177 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.853 2.375 -13.655 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.921 1.450 -12.168 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.502 -0.644 -13.777 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.072 0.438 -15.033 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.113 -0.501 -14.339 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.068 0.923 -13.319 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.123 -0.403 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.030 -1.828 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.034 -1.851 -11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.448 -1.749 -12.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.538 -0.369 -11.757 1.00 0.00 H new ATOM 255 N PHE A 35 -1.033 0.177 -11.051 1.00 0.00 N ATOM 256 CA PHE A 35 -1.409 -0.962 -10.164 1.00 0.00 C ATOM 257 C PHE A 35 -2.915 -1.195 -10.224 1.00 0.00 C ATOM 258 O PHE A 35 -3.418 -2.203 -9.770 1.00 0.00 O ATOM 259 CB PHE A 35 -0.987 -0.656 -8.725 1.00 0.00 C ATOM 260 CG PHE A 35 -1.028 -1.923 -7.904 1.00 0.00 C ATOM 261 CD1 PHE A 35 0.026 -2.841 -7.982 1.00 0.00 C ATOM 262 CD2 PHE A 35 -2.119 -2.179 -7.063 1.00 0.00 C ATOM 263 CE1 PHE A 35 -0.010 -4.014 -7.220 1.00 0.00 C ATOM 264 CE2 PHE A 35 -2.155 -3.353 -6.302 1.00 0.00 C ATOM 265 CZ PHE A 35 -1.100 -4.270 -6.380 1.00 0.00 C ATOM 0 H PHE A 35 -0.463 0.901 -10.613 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.898 -1.863 -10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.018 -0.235 -8.712 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.651 0.092 -8.292 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.867 -2.644 -8.630 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.932 -1.471 -7.002 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.803 -4.722 -7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.996 -3.552 -5.655 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.127 -5.175 -5.792 1.00 0.00 H new ATOM 275 N GLU A 36 -3.629 -0.277 -10.787 1.00 0.00 N ATOM 276 CA GLU A 36 -5.102 -0.434 -10.895 1.00 0.00 C ATOM 277 C GLU A 36 -5.422 -1.732 -11.625 1.00 0.00 C ATOM 278 O GLU A 36 -6.429 -2.369 -11.391 1.00 0.00 O ATOM 279 CB GLU A 36 -5.662 0.779 -11.642 1.00 0.00 C ATOM 280 CG GLU A 36 -5.523 0.579 -13.140 1.00 0.00 C ATOM 281 CD GLU A 36 -5.950 1.851 -13.875 1.00 0.00 C ATOM 282 OE1 GLU A 36 -6.284 2.815 -13.206 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.936 1.840 -15.096 1.00 0.00 O ATOM 0 H GLU A 36 -3.256 0.586 -11.183 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.561 -0.485 -9.908 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.711 0.923 -11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.131 1.681 -11.337 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.491 0.333 -13.389 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.137 -0.262 -13.462 1.00 0.00 H new ATOM 290 N GLU A 37 -4.564 -2.101 -12.516 1.00 0.00 N ATOM 291 CA GLU A 37 -4.770 -3.349 -13.314 1.00 0.00 C ATOM 292 C GLU A 37 -5.256 -4.462 -12.391 1.00 0.00 C ATOM 293 O GLU A 37 -5.923 -5.391 -12.804 1.00 0.00 O ATOM 294 CB GLU A 37 -3.445 -3.764 -13.960 1.00 0.00 C ATOM 295 CG GLU A 37 -3.692 -4.914 -14.938 1.00 0.00 C ATOM 296 CD GLU A 37 -2.399 -5.233 -15.691 1.00 0.00 C ATOM 297 OE1 GLU A 37 -1.367 -5.318 -15.046 1.00 0.00 O ATOM 298 OE2 GLU A 37 -2.463 -5.385 -16.900 1.00 0.00 O ATOM 0 H GLU A 37 -3.710 -1.589 -12.738 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.512 -3.169 -14.092 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.002 -2.916 -14.483 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.735 -4.071 -13.193 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.038 -5.796 -14.399 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.478 -4.643 -15.643 1.00 0.00 H new ATOM 305 N GLU A 38 -4.931 -4.360 -11.135 1.00 0.00 N ATOM 306 CA GLU A 38 -5.367 -5.385 -10.153 1.00 0.00 C ATOM 307 C GLU A 38 -6.779 -5.041 -9.659 1.00 0.00 C ATOM 308 O GLU A 38 -7.707 -5.810 -9.809 1.00 0.00 O ATOM 309 CB GLU A 38 -4.389 -5.371 -8.984 1.00 0.00 C ATOM 310 CG GLU A 38 -4.565 -6.635 -8.144 1.00 0.00 C ATOM 311 CD GLU A 38 -3.449 -6.710 -7.102 1.00 0.00 C ATOM 312 OE1 GLU A 38 -3.341 -5.787 -6.312 1.00 0.00 O ATOM 313 OE2 GLU A 38 -2.721 -7.689 -7.111 1.00 0.00 O ATOM 0 H GLU A 38 -4.375 -3.600 -10.743 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.383 -6.374 -10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.366 -5.310 -9.355 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.558 -4.488 -8.368 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.537 -6.626 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.540 -7.517 -8.784 1.00 0.00 H new ATOM 320 N ARG A 39 -6.943 -3.876 -9.086 1.00 0.00 N ATOM 321 CA ARG A 39 -8.290 -3.451 -8.593 1.00 0.00 C ATOM 322 C ARG A 39 -9.084 -2.974 -9.772 1.00 0.00 C ATOM 323 O ARG A 39 -10.100 -2.333 -9.629 1.00 0.00 O ATOM 324 CB ARG A 39 -8.202 -2.379 -7.494 1.00 0.00 C ATOM 325 CG ARG A 39 -6.818 -2.426 -6.844 1.00 0.00 C ATOM 326 CD ARG A 39 -6.521 -3.841 -6.291 1.00 0.00 C ATOM 327 NE ARG A 39 -7.102 -4.000 -4.916 1.00 0.00 N ATOM 328 CZ ARG A 39 -6.728 -3.240 -3.921 1.00 0.00 C ATOM 329 NH1 ARG A 39 -5.740 -2.398 -4.066 1.00 0.00 N ATOM 330 NH2 ARG A 39 -7.321 -3.349 -2.764 1.00 0.00 N ATOM 0 H ARG A 39 -6.197 -3.196 -8.937 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.788 -4.301 -8.126 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.382 -1.392 -7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.974 -2.549 -6.743 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.058 -2.149 -7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.765 -1.696 -6.036 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.940 -4.594 -6.959 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.444 -4.007 -6.259 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.807 -4.720 -4.754 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.255 -2.330 -4.961 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.454 -1.808 -3.285 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.074 -4.026 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.032 -2.757 -1.985 1.00 0.00 H new ATOM 344 N ALA A 40 -8.612 -3.294 -10.944 1.00 0.00 N ATOM 345 CA ALA A 40 -9.341 -2.902 -12.203 1.00 0.00 C ATOM 346 C ALA A 40 -10.817 -3.263 -12.076 1.00 0.00 C ATOM 347 O ALA A 40 -11.616 -3.033 -12.958 1.00 0.00 O ATOM 348 CB ALA A 40 -8.726 -3.615 -13.411 1.00 0.00 C ATOM 0 H ALA A 40 -7.747 -3.814 -11.094 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.249 -1.826 -12.349 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.260 -3.325 -14.316 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.677 -3.335 -13.504 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.803 -4.694 -13.275 1.00 0.00 H new ATOM 354 N ARG A 41 -11.171 -3.786 -10.962 1.00 0.00 N ATOM 355 CA ARG A 41 -12.553 -4.125 -10.676 1.00 0.00 C ATOM 356 C ARG A 41 -13.221 -2.876 -10.083 1.00 0.00 C ATOM 357 O ARG A 41 -14.416 -2.780 -10.009 1.00 0.00 O ATOM 358 CB ARG A 41 -12.560 -5.214 -9.603 1.00 0.00 C ATOM 359 CG ARG A 41 -11.265 -6.042 -9.632 1.00 0.00 C ATOM 360 CD ARG A 41 -10.991 -6.530 -11.053 1.00 0.00 C ATOM 361 NE ARG A 41 -10.472 -7.926 -11.014 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.464 -8.650 -12.099 1.00 0.00 C ATOM 363 NH1 ARG A 41 -10.906 -8.152 -13.221 1.00 0.00 N ATOM 364 NH2 ARG A 41 -10.011 -9.874 -12.064 1.00 0.00 N ATOM 0 H ARG A 41 -10.522 -4.000 -10.205 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.070 -4.462 -11.574 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.679 -4.757 -8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.416 -5.871 -9.755 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.429 -5.438 -9.278 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.352 -6.893 -8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.905 -6.488 -11.645 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.267 -5.876 -11.539 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.123 -8.316 -10.138 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.258 -7.195 -13.251 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.899 -8.719 -14.069 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.663 -10.264 -11.188 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.005 -10.440 -12.913 1.00 0.00 H new ATOM 378 N ALA A 42 -12.431 -1.954 -9.592 1.00 0.00 N ATOM 379 CA ALA A 42 -13.008 -0.756 -8.902 1.00 0.00 C ATOM 380 C ALA A 42 -14.015 -0.047 -9.772 1.00 0.00 C ATOM 381 O ALA A 42 -15.073 0.372 -9.347 1.00 0.00 O ATOM 382 CB ALA A 42 -11.880 0.210 -8.527 1.00 0.00 C ATOM 0 H ALA A 42 -11.412 -1.978 -9.638 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.522 -1.097 -8.004 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.299 1.082 -8.025 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.179 -0.291 -7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.358 0.527 -9.430 1.00 0.00 H new ATOM 388 N LYS A 43 -13.662 0.083 -10.970 1.00 0.00 N ATOM 389 CA LYS A 43 -14.516 0.763 -11.970 1.00 0.00 C ATOM 390 C LYS A 43 -15.859 0.077 -12.139 1.00 0.00 C ATOM 391 O LYS A 43 -16.812 0.682 -12.590 1.00 0.00 O ATOM 392 CB LYS A 43 -13.778 0.767 -13.302 1.00 0.00 C ATOM 393 CG LYS A 43 -12.915 -0.520 -13.474 1.00 0.00 C ATOM 394 CD LYS A 43 -11.431 -0.148 -13.733 1.00 0.00 C ATOM 395 CE LYS A 43 -10.849 0.719 -12.595 1.00 0.00 C ATOM 396 NZ LYS A 43 -10.843 2.149 -13.016 1.00 0.00 N ATOM 0 H LYS A 43 -12.777 -0.263 -11.341 1.00 0.00 H new ATOM 0 HA LYS A 43 -14.713 1.777 -11.623 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.497 0.838 -14.118 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.138 1.647 -13.363 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -12.990 -1.138 -12.579 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.298 -1.113 -14.304 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.841 -1.059 -13.834 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.351 0.390 -14.677 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.444 0.597 -11.690 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.836 0.394 -12.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.866 2.505 -13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.248 2.232 -13.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.411 2.710 -12.349 1.00 0.00 H new ATOM 410 N TRP A 44 -15.959 -1.158 -11.788 1.00 0.00 N ATOM 411 CA TRP A 44 -17.280 -1.853 -11.942 1.00 0.00 C ATOM 412 C TRP A 44 -17.430 -2.949 -10.891 1.00 0.00 C ATOM 413 O TRP A 44 -18.190 -3.883 -11.053 1.00 0.00 O ATOM 414 CB TRP A 44 -17.422 -2.459 -13.341 1.00 0.00 C ATOM 415 CG TRP A 44 -16.139 -3.042 -13.714 1.00 0.00 C ATOM 416 CD1 TRP A 44 -15.238 -2.387 -14.406 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.590 -4.360 -13.441 1.00 0.00 C ATOM 418 NE1 TRP A 44 -14.120 -3.170 -14.544 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.287 -4.403 -13.967 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.078 -5.495 -12.784 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.479 -5.523 -13.843 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.275 -6.643 -12.662 1.00 0.00 C ATOM 423 CH2 TRP A 44 -13.972 -6.653 -13.185 1.00 0.00 C ATOM 0 H TRP A 44 -15.203 -1.725 -11.404 1.00 0.00 H new ATOM 0 HA TRP A 44 -18.066 -1.111 -11.803 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -18.203 -3.220 -13.349 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -17.716 -1.694 -14.059 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -15.357 -1.390 -14.804 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -13.268 -2.871 -15.018 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -17.075 -5.489 -12.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.479 -5.522 -14.251 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -15.662 -7.520 -12.164 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -13.353 -7.531 -13.079 1.00 0.00 H new ATOM 434 N ASP A 45 -16.690 -2.853 -9.835 1.00 0.00 N ATOM 435 CA ASP A 45 -16.757 -3.909 -8.778 1.00 0.00 C ATOM 436 C ASP A 45 -15.905 -3.531 -7.591 1.00 0.00 C ATOM 437 O ASP A 45 -16.389 -3.310 -6.502 1.00 0.00 O ATOM 438 CB ASP A 45 -16.222 -5.228 -9.367 1.00 0.00 C ATOM 439 CG ASP A 45 -17.380 -6.219 -9.618 1.00 0.00 C ATOM 440 OD1 ASP A 45 -18.292 -6.255 -8.808 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.326 -6.931 -10.605 1.00 0.00 O ATOM 0 H ASP A 45 -16.037 -2.092 -9.648 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.791 -4.017 -8.451 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.697 -5.029 -10.301 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.498 -5.671 -8.683 1.00 0.00 H new ATOM 446 N THR A 46 -14.637 -3.544 -7.810 1.00 0.00 N ATOM 447 CA THR A 46 -13.650 -3.278 -6.741 1.00 0.00 C ATOM 448 C THR A 46 -13.473 -4.580 -6.016 1.00 0.00 C ATOM 449 O THR A 46 -12.386 -4.965 -5.664 1.00 0.00 O ATOM 450 CB THR A 46 -14.116 -2.121 -5.813 1.00 0.00 C ATOM 451 OG1 THR A 46 -13.032 -1.218 -5.646 1.00 0.00 O ATOM 452 CG2 THR A 46 -14.559 -2.612 -4.420 1.00 0.00 C ATOM 0 H THR A 46 -14.223 -3.736 -8.722 1.00 0.00 H new ATOM 0 HA THR A 46 -12.696 -2.937 -7.143 1.00 0.00 H new ATOM 0 HB THR A 46 -14.977 -1.647 -6.284 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.308 -0.479 -5.064 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.873 -1.760 -3.817 1.00 0.00 H new ATOM 0 HG22 THR A 46 -15.391 -3.308 -4.527 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.726 -3.116 -3.930 1.00 0.00 H new ATOM 460 N ALA A 47 -14.551 -5.269 -5.822 1.00 0.00 N ATOM 461 CA ALA A 47 -14.493 -6.591 -5.128 1.00 0.00 C ATOM 462 C ALA A 47 -14.722 -7.755 -6.080 1.00 0.00 C ATOM 463 O ALA A 47 -14.198 -8.824 -5.850 1.00 0.00 O ATOM 464 CB ALA A 47 -15.536 -6.629 -4.010 1.00 0.00 C ATOM 0 H ALA A 47 -15.484 -4.977 -6.114 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.490 -6.700 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -15.493 -7.594 -3.505 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -15.330 -5.834 -3.293 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -16.530 -6.486 -4.434 1.00 0.00 H new ATOM 470 N ASN A 48 -15.509 -7.563 -7.121 1.00 0.00 N ATOM 471 CA ASN A 48 -15.818 -8.683 -8.107 1.00 0.00 C ATOM 472 C ASN A 48 -15.464 -10.049 -7.499 1.00 0.00 C ATOM 473 O ASN A 48 -15.868 -10.385 -6.403 1.00 0.00 O ATOM 474 CB ASN A 48 -14.997 -8.509 -9.394 1.00 0.00 C ATOM 475 CG ASN A 48 -13.508 -8.596 -9.071 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.121 -8.694 -7.925 1.00 0.00 O ATOM 477 ND2 ASN A 48 -12.654 -8.566 -10.045 1.00 0.00 N ATOM 0 H ASN A 48 -15.958 -6.674 -7.339 1.00 0.00 H new ATOM 0 HA ASN A 48 -16.883 -8.638 -8.333 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -15.268 -9.279 -10.116 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.223 -7.547 -9.854 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.655 -8.625 -9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.981 -8.484 -11.008 1.00 0.00 H new ATOM 484 N ASN A 49 -14.665 -10.803 -8.192 1.00 0.00 N ATOM 485 CA ASN A 49 -14.203 -12.106 -7.678 1.00 0.00 C ATOM 486 C ASN A 49 -13.272 -11.810 -6.480 1.00 0.00 C ATOM 487 O ASN A 49 -12.640 -10.772 -6.466 1.00 0.00 O ATOM 488 CB ASN A 49 -13.414 -12.782 -8.812 1.00 0.00 C ATOM 489 CG ASN A 49 -13.795 -14.246 -8.948 1.00 0.00 C ATOM 490 OD1 ASN A 49 -13.089 -15.134 -8.511 1.00 0.00 O ATOM 491 ND2 ASN A 49 -14.890 -14.516 -9.564 1.00 0.00 N ATOM 0 H ASN A 49 -14.307 -10.560 -9.116 1.00 0.00 H new ATOM 0 HA ASN A 49 -15.021 -12.754 -7.361 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -13.607 -12.264 -9.752 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.345 -12.698 -8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -15.177 -15.486 -9.692 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -15.472 -13.760 -9.925 1.00 0.00 H new ATOM 498 N PRO A 50 -13.196 -12.689 -5.505 1.00 0.00 N ATOM 499 CA PRO A 50 -12.328 -12.443 -4.341 1.00 0.00 C ATOM 500 C PRO A 50 -10.907 -12.098 -4.768 1.00 0.00 C ATOM 501 O PRO A 50 -10.084 -11.726 -3.962 1.00 0.00 O ATOM 502 CB PRO A 50 -12.404 -13.732 -3.495 1.00 0.00 C ATOM 503 CG PRO A 50 -13.397 -14.696 -4.214 1.00 0.00 C ATOM 504 CD PRO A 50 -13.938 -13.965 -5.466 1.00 0.00 C ATOM 0 HA PRO A 50 -12.655 -11.581 -3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.420 -14.191 -3.404 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.747 -13.510 -2.485 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.895 -15.621 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.215 -14.970 -3.547 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -13.768 -14.550 -6.370 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -15.012 -13.796 -5.393 1.00 0.00 H new ATOM 512 N LEU A 51 -10.647 -12.164 -6.029 1.00 0.00 N ATOM 513 CA LEU A 51 -9.314 -11.787 -6.576 1.00 0.00 C ATOM 514 C LEU A 51 -8.787 -10.559 -5.851 1.00 0.00 C ATOM 515 O LEU A 51 -7.718 -10.513 -5.277 1.00 0.00 O ATOM 516 CB LEU A 51 -9.592 -11.376 -8.006 1.00 0.00 C ATOM 517 CG LEU A 51 -8.326 -11.426 -8.892 1.00 0.00 C ATOM 518 CD1 LEU A 51 -7.132 -10.769 -8.189 1.00 0.00 C ATOM 519 CD2 LEU A 51 -7.971 -12.880 -9.239 1.00 0.00 C ATOM 0 H LEU A 51 -11.318 -12.472 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.594 -12.599 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.353 -12.032 -8.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.000 -10.365 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.543 -10.875 -9.807 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.256 -10.819 -8.836 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.365 -9.726 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.925 -11.294 -7.257 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.078 -12.897 -9.863 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.784 -13.438 -8.321 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.800 -13.338 -9.779 1.00 0.00 H new ATOM 531 N TYR A 52 -9.602 -9.576 -5.927 1.00 0.00 N ATOM 532 CA TYR A 52 -9.352 -8.265 -5.330 1.00 0.00 C ATOM 533 C TYR A 52 -9.019 -8.522 -3.867 1.00 0.00 C ATOM 534 O TYR A 52 -8.140 -7.920 -3.284 1.00 0.00 O ATOM 535 CB TYR A 52 -10.648 -7.447 -5.509 1.00 0.00 C ATOM 536 CG TYR A 52 -11.000 -6.788 -4.190 1.00 0.00 C ATOM 537 CD1 TYR A 52 -11.667 -7.531 -3.210 1.00 0.00 C ATOM 538 CD2 TYR A 52 -10.627 -5.465 -3.936 1.00 0.00 C ATOM 539 CE1 TYR A 52 -11.971 -6.946 -1.975 1.00 0.00 C ATOM 540 CE2 TYR A 52 -10.933 -4.877 -2.703 1.00 0.00 C ATOM 541 CZ TYR A 52 -11.606 -5.617 -1.722 1.00 0.00 C ATOM 542 OH TYR A 52 -11.905 -5.039 -0.505 1.00 0.00 O ATOM 0 H TYR A 52 -10.496 -9.635 -6.415 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.531 -7.710 -5.783 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.513 -6.692 -6.283 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.461 -8.096 -5.835 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -11.947 -8.555 -3.406 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.103 -4.897 -4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -12.486 -7.518 -1.218 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -10.650 -3.853 -2.508 1.00 0.00 H new ATOM 0 HH TYR A 52 -11.581 -4.114 -0.494 1.00 0.00 H new ATOM 552 N LYS A 53 -9.723 -9.454 -3.294 1.00 0.00 N ATOM 553 CA LYS A 53 -9.475 -9.824 -1.887 1.00 0.00 C ATOM 554 C LYS A 53 -8.237 -10.705 -1.870 1.00 0.00 C ATOM 555 O LYS A 53 -7.562 -10.839 -0.869 1.00 0.00 O ATOM 556 CB LYS A 53 -10.700 -10.579 -1.324 1.00 0.00 C ATOM 557 CG LYS A 53 -10.895 -10.253 0.164 1.00 0.00 C ATOM 558 CD LYS A 53 -9.631 -10.621 0.949 1.00 0.00 C ATOM 559 CE LYS A 53 -9.962 -10.721 2.440 1.00 0.00 C ATOM 560 NZ LYS A 53 -8.708 -10.936 3.216 1.00 0.00 N ATOM 0 H LYS A 53 -10.468 -9.979 -3.752 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.318 -8.943 -1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.594 -10.302 -1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.563 -11.653 -1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.114 -9.192 0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.750 -10.803 0.557 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.232 -11.570 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.859 -9.869 0.787 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.457 -9.810 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.656 -11.544 2.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.934 -11.004 4.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.253 -11.817 2.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.061 -10.137 3.058 1.00 0.00 H new ATOM 574 N GLU A 54 -7.923 -11.297 -2.991 1.00 0.00 N ATOM 575 CA GLU A 54 -6.699 -12.163 -3.038 1.00 0.00 C ATOM 576 C GLU A 54 -5.492 -11.283 -3.300 1.00 0.00 C ATOM 577 O GLU A 54 -4.381 -11.586 -2.912 1.00 0.00 O ATOM 578 CB GLU A 54 -6.801 -13.216 -4.143 1.00 0.00 C ATOM 579 CG GLU A 54 -7.974 -14.163 -3.861 1.00 0.00 C ATOM 580 CD GLU A 54 -8.389 -14.870 -5.155 1.00 0.00 C ATOM 581 OE1 GLU A 54 -7.592 -14.887 -6.079 1.00 0.00 O ATOM 582 OE2 GLU A 54 -9.495 -15.383 -5.199 1.00 0.00 O ATOM 0 H GLU A 54 -8.447 -11.224 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.603 -12.681 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.940 -12.729 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -5.872 -13.783 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.688 -14.898 -3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.816 -13.603 -3.455 1.00 0.00 H new ATOM 589 N ALA A 55 -5.711 -10.187 -3.951 1.00 0.00 N ATOM 590 CA ALA A 55 -4.587 -9.259 -4.242 1.00 0.00 C ATOM 591 C ALA A 55 -3.859 -8.949 -2.937 1.00 0.00 C ATOM 592 O ALA A 55 -2.659 -8.764 -2.909 1.00 0.00 O ATOM 593 CB ALA A 55 -5.137 -7.967 -4.850 1.00 0.00 C ATOM 0 H ALA A 55 -6.622 -9.888 -4.298 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.896 -9.717 -4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.313 -7.286 -5.064 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.667 -8.197 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.823 -7.497 -4.146 1.00 0.00 H new ATOM 599 N THR A 56 -4.578 -8.910 -1.849 1.00 0.00 N ATOM 600 CA THR A 56 -3.940 -8.636 -0.544 1.00 0.00 C ATOM 601 C THR A 56 -3.290 -9.928 -0.068 1.00 0.00 C ATOM 602 O THR A 56 -2.246 -9.935 0.554 1.00 0.00 O ATOM 603 CB THR A 56 -5.022 -8.179 0.446 1.00 0.00 C ATOM 604 OG1 THR A 56 -6.287 -8.642 -0.005 1.00 0.00 O ATOM 605 CG2 THR A 56 -5.050 -6.649 0.544 1.00 0.00 C ATOM 0 H THR A 56 -5.587 -9.058 -1.814 1.00 0.00 H new ATOM 0 HA THR A 56 -3.186 -7.853 -0.623 1.00 0.00 H new ATOM 0 HB THR A 56 -4.798 -8.589 1.431 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.260 -9.616 -0.110 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.823 -6.344 1.250 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.081 -6.289 0.889 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.267 -6.225 -0.437 1.00 0.00 H new ATOM 613 N SER A 57 -3.907 -11.015 -0.385 1.00 0.00 N ATOM 614 CA SER A 57 -3.356 -12.335 0.008 1.00 0.00 C ATOM 615 C SER A 57 -2.073 -12.565 -0.782 1.00 0.00 C ATOM 616 O SER A 57 -1.210 -13.323 -0.388 1.00 0.00 O ATOM 617 CB SER A 57 -4.366 -13.437 -0.317 1.00 0.00 C ATOM 618 OG SER A 57 -3.943 -14.654 0.282 1.00 0.00 O ATOM 0 H SER A 57 -4.783 -11.052 -0.907 1.00 0.00 H new ATOM 0 HA SER A 57 -3.152 -12.355 1.079 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.354 -13.161 0.052 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.452 -13.560 -1.397 1.00 0.00 H new ATOM 0 HG SER A 57 -4.589 -15.362 0.077 1.00 0.00 H new ATOM 624 N THR A 58 -1.940 -11.896 -1.895 1.00 0.00 N ATOM 625 CA THR A 58 -0.720 -12.049 -2.714 1.00 0.00 C ATOM 626 C THR A 58 0.478 -11.681 -1.848 1.00 0.00 C ATOM 627 O THR A 58 1.608 -12.014 -2.142 1.00 0.00 O ATOM 628 CB THR A 58 -0.791 -11.111 -3.923 1.00 0.00 C ATOM 629 OG1 THR A 58 -2.054 -11.254 -4.558 1.00 0.00 O ATOM 630 CG2 THR A 58 0.322 -11.465 -4.912 1.00 0.00 C ATOM 0 H THR A 58 -2.633 -11.247 -2.268 1.00 0.00 H new ATOM 0 HA THR A 58 -0.628 -13.075 -3.071 1.00 0.00 H new ATOM 0 HB THR A 58 -0.665 -10.080 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.045 -10.778 -5.415 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.271 -10.797 -5.772 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.291 -11.355 -4.424 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.199 -12.495 -5.245 1.00 0.00 H new ATOM 638 N PHE A 59 0.220 -10.989 -0.774 1.00 0.00 N ATOM 639 CA PHE A 59 1.313 -10.576 0.145 1.00 0.00 C ATOM 640 C PHE A 59 1.583 -11.695 1.131 1.00 0.00 C ATOM 641 O PHE A 59 2.704 -12.099 1.372 1.00 0.00 O ATOM 642 CB PHE A 59 0.844 -9.339 0.910 1.00 0.00 C ATOM 643 CG PHE A 59 2.029 -8.628 1.518 1.00 0.00 C ATOM 644 CD1 PHE A 59 2.517 -9.025 2.769 1.00 0.00 C ATOM 645 CD2 PHE A 59 2.640 -7.571 0.833 1.00 0.00 C ATOM 646 CE1 PHE A 59 3.616 -8.367 3.333 1.00 0.00 C ATOM 647 CE2 PHE A 59 3.739 -6.912 1.396 1.00 0.00 C ATOM 648 CZ PHE A 59 4.227 -7.311 2.647 1.00 0.00 C ATOM 0 H PHE A 59 -0.713 -10.689 -0.492 1.00 0.00 H new ATOM 0 HA PHE A 59 2.222 -10.359 -0.416 1.00 0.00 H new ATOM 0 HB2 PHE A 59 0.311 -8.666 0.238 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.143 -9.629 1.692 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.045 -9.839 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.263 -7.264 -0.131 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.993 -8.674 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.210 -6.097 0.867 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.075 -6.804 3.082 1.00 0.00 H new ATOM 658 N THR A 60 0.539 -12.179 1.694 1.00 0.00 N ATOM 659 CA THR A 60 0.642 -13.279 2.689 1.00 0.00 C ATOM 660 C THR A 60 0.872 -14.595 1.947 1.00 0.00 C ATOM 661 O THR A 60 1.387 -15.552 2.488 1.00 0.00 O ATOM 662 CB THR A 60 -0.660 -13.297 3.523 1.00 0.00 C ATOM 663 OG1 THR A 60 -0.384 -12.811 4.828 1.00 0.00 O ATOM 664 CG2 THR A 60 -1.261 -14.704 3.630 1.00 0.00 C ATOM 0 H THR A 60 -0.412 -11.859 1.510 1.00 0.00 H new ATOM 0 HA THR A 60 1.482 -13.132 3.368 1.00 0.00 H new ATOM 0 HB THR A 60 -1.387 -12.662 3.016 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.207 -12.819 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.174 -14.666 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 60 -1.493 -15.077 2.633 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.544 -15.371 4.109 1.00 0.00 H new ATOM 672 N ASN A 61 0.493 -14.637 0.715 1.00 0.00 N ATOM 673 CA ASN A 61 0.679 -15.877 -0.091 1.00 0.00 C ATOM 674 C ASN A 61 2.166 -16.206 -0.168 1.00 0.00 C ATOM 675 O ASN A 61 2.561 -17.267 -0.610 1.00 0.00 O ATOM 676 CB ASN A 61 0.142 -15.650 -1.499 1.00 0.00 C ATOM 677 CG ASN A 61 0.339 -16.916 -2.335 1.00 0.00 C ATOM 678 OD1 ASN A 61 -0.595 -17.659 -2.562 1.00 0.00 O ATOM 679 ND2 ASN A 61 1.525 -17.195 -2.803 1.00 0.00 N ATOM 0 H ASN A 61 0.056 -13.861 0.217 1.00 0.00 H new ATOM 0 HA ASN A 61 0.142 -16.702 0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.916 -15.390 -1.458 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.658 -14.811 -1.965 1.00 0.00 H new ATOM 0 HD21 ASN A 61 1.668 -18.037 -3.360 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.309 -16.571 -2.612 1.00 0.00 H new ATOM 686 N ILE A 62 2.988 -15.294 0.262 1.00 0.00 N ATOM 687 CA ILE A 62 4.470 -15.510 0.231 1.00 0.00 C ATOM 688 C ILE A 62 4.929 -15.839 1.643 1.00 0.00 C ATOM 689 O ILE A 62 5.967 -16.430 1.865 1.00 0.00 O ATOM 690 CB ILE A 62 5.168 -14.224 -0.269 1.00 0.00 C ATOM 691 CG1 ILE A 62 4.218 -13.461 -1.196 1.00 0.00 C ATOM 692 CG2 ILE A 62 6.448 -14.577 -1.035 1.00 0.00 C ATOM 693 CD1 ILE A 62 4.929 -12.226 -1.754 1.00 0.00 C ATOM 0 H ILE A 62 2.697 -14.393 0.640 1.00 0.00 H new ATOM 0 HA ILE A 62 4.724 -16.328 -0.443 1.00 0.00 H new ATOM 0 HB ILE A 62 5.428 -13.605 0.590 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.894 -14.106 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.323 -13.163 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.929 -13.662 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.128 -15.118 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 62 6.198 -15.202 -1.892 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.252 -11.683 -2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.231 -11.578 -0.932 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.811 -12.536 -2.315 1.00 0.00 H new ATOM 705 N THR A 63 4.134 -15.456 2.593 1.00 0.00 N ATOM 706 CA THR A 63 4.455 -15.726 4.025 1.00 0.00 C ATOM 707 C THR A 63 3.609 -16.914 4.473 1.00 0.00 C ATOM 708 O THR A 63 3.852 -17.530 5.492 1.00 0.00 O ATOM 709 CB THR A 63 4.148 -14.464 4.840 1.00 0.00 C ATOM 710 OG1 THR A 63 5.354 -13.746 5.054 1.00 0.00 O ATOM 711 CG2 THR A 63 3.509 -14.789 6.200 1.00 0.00 C ATOM 0 H THR A 63 3.257 -14.957 2.441 1.00 0.00 H new ATOM 0 HA THR A 63 5.507 -15.970 4.171 1.00 0.00 H new ATOM 0 HB THR A 63 3.433 -13.868 4.272 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.165 -12.937 5.573 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.311 -13.863 6.739 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.573 -15.325 6.043 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.190 -15.410 6.783 1.00 0.00 H new ATOM 719 N TYR A 64 2.616 -17.228 3.700 1.00 0.00 N ATOM 720 CA TYR A 64 1.726 -18.374 4.045 1.00 0.00 C ATOM 721 C TYR A 64 2.567 -19.612 4.371 1.00 0.00 C ATOM 722 O TYR A 64 2.064 -20.608 4.852 1.00 0.00 O ATOM 723 CB TYR A 64 0.778 -18.675 2.870 1.00 0.00 C ATOM 724 CG TYR A 64 1.485 -19.489 1.783 1.00 0.00 C ATOM 725 CD1 TYR A 64 2.759 -19.117 1.298 1.00 0.00 C ATOM 726 CD2 TYR A 64 0.855 -20.629 1.260 1.00 0.00 C ATOM 727 CE1 TYR A 64 3.379 -19.884 0.303 1.00 0.00 C ATOM 728 CE2 TYR A 64 1.483 -21.390 0.268 1.00 0.00 C ATOM 729 CZ TYR A 64 2.742 -21.019 -0.210 1.00 0.00 C ATOM 730 OH TYR A 64 3.358 -21.770 -1.190 1.00 0.00 O ATOM 0 H TYR A 64 2.377 -16.740 2.837 1.00 0.00 H new ATOM 0 HA TYR A 64 1.133 -18.110 4.920 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -0.091 -19.224 3.232 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.411 -17.740 2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.254 -18.243 1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.119 -20.920 1.625 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.352 -19.598 -0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.993 -22.267 -0.129 1.00 0.00 H new ATOM 0 HH TYR A 64 2.782 -22.524 -1.435 1.00 0.00 H new ATOM 740 N ARG A 65 3.838 -19.555 4.110 1.00 0.00 N ATOM 741 CA ARG A 65 4.708 -20.727 4.400 1.00 0.00 C ATOM 742 C ARG A 65 4.724 -20.981 5.911 1.00 0.00 C ATOM 743 O ARG A 65 5.334 -21.916 6.390 1.00 0.00 O ATOM 744 CB ARG A 65 6.132 -20.440 3.901 1.00 0.00 C ATOM 745 CG ARG A 65 6.898 -21.762 3.712 1.00 0.00 C ATOM 746 CD ARG A 65 6.347 -22.558 2.499 1.00 0.00 C ATOM 747 NE ARG A 65 7.470 -22.957 1.581 1.00 0.00 N ATOM 748 CZ ARG A 65 8.308 -22.078 1.093 1.00 0.00 C ATOM 749 NH1 ARG A 65 8.141 -20.806 1.328 1.00 0.00 N ATOM 750 NH2 ARG A 65 9.301 -22.475 0.346 1.00 0.00 N ATOM 0 H ARG A 65 4.315 -18.748 3.708 1.00 0.00 H new ATOM 0 HA ARG A 65 4.323 -21.610 3.891 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.093 -19.894 2.958 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.656 -19.805 4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.958 -21.554 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.815 -22.366 4.615 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.820 -23.446 2.848 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.623 -21.951 1.956 1.00 0.00 H new ATOM 0 HE ARG A 65 7.581 -23.940 1.332 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.354 -20.491 1.895 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.798 -20.126 0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.422 -23.467 0.144 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.956 -21.793 -0.036 1.00 0.00 H new ATOM 764 N GLY A 66 4.055 -20.154 6.665 1.00 0.00 N ATOM 765 CA GLY A 66 4.028 -20.346 8.143 1.00 0.00 C ATOM 766 C GLY A 66 5.354 -19.876 8.743 1.00 0.00 C ATOM 767 O GLY A 66 5.384 -19.075 9.656 1.00 0.00 O ATOM 0 H GLY A 66 3.525 -19.353 6.322 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.201 -19.785 8.578 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.861 -21.397 8.381 1.00 0.00 H new ATOM 771 N THR A 67 6.452 -20.366 8.237 1.00 0.00 N ATOM 772 CA THR A 67 7.774 -19.946 8.779 1.00 0.00 C ATOM 773 C THR A 67 7.786 -20.134 10.297 1.00 0.00 C ATOM 774 O THR A 67 7.648 -19.145 10.998 1.00 0.00 O ATOM 775 CB THR A 67 8.019 -18.473 8.446 1.00 0.00 C ATOM 776 OG1 THR A 67 7.802 -18.261 7.058 1.00 0.00 O ATOM 777 CG2 THR A 67 9.458 -18.097 8.803 1.00 0.00 C ATOM 778 OXT THR A 67 7.933 -21.265 10.733 1.00 0.00 O ATOM 0 H THR A 67 6.490 -21.039 7.472 1.00 0.00 H new ATOM 0 HA THR A 67 8.559 -20.555 8.331 1.00 0.00 H new ATOM 0 HB THR A 67 7.332 -17.852 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.957 -17.317 6.843 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.630 -17.047 8.565 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.623 -18.259 9.868 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.149 -18.717 8.231 1.00 0.00 H new TER 786 THR A 67