USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 484 hydrogens (42 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 NoAdj-H: A 9 DPR H : A 9 DPR N : A 8 VAL C :(H bumps) USER MOD NoAdj-H: A 17 DPR H : A 17 DPR N : A 16 THR C :(H bumps) USER MOD NoAdj-H: A 27 DPR H : A 27 DPR N : A 26 LEU C :(H bumps) USER MOD NoAdj-H: B 9 DPR H : B 9 DPR N : B 8 VAL C :(H bumps) USER MOD NoAdj-H: B 17 DPR H : B 17 DPR N : B 16 THR C :(H bumps) USER MOD NoAdj-H: B 27 DPR H : B 27 DPR N : B 26 LEU C :(H bumps) USER MOD Single : A 1 ARG N :NH3+ 154:sc= -0.137 (180deg=-0.768) USER MOD Single : A 4 CYS SG : rot -22:sc= -0.915! USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 44:sc= 0.908 USER MOD Single : A 15 ASN : amide:sc= -0.141 K(o=-0.14,f=-0.82) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc=-0.000121 X(o=-0.00012,f=-0.0079) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.949 K(o=-0.95,f=-1.7!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 CYS SG : rot 180:sc= 0 USER MOD Single : B 5 LYS NZ :NH3+ 138:sc= 0.0346 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 HIS : no HD1:sc= -0.0753 X(o=-0.075,f=0) USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 29.316 11.355 -25.964 1.00 0.00 N ATOM 2 CA ARG A 1 28.087 10.865 -25.366 1.00 0.00 C ATOM 3 C ARG A 1 26.964 11.888 -25.544 1.00 0.00 C ATOM 4 O ARG A 1 27.033 12.990 -25.004 1.00 0.00 O ATOM 5 CB ARG A 1 28.276 10.580 -23.874 1.00 0.00 C ATOM 6 CG ARG A 1 28.578 11.866 -23.104 1.00 0.00 C ATOM 7 CD ARG A 1 29.384 11.571 -21.838 1.00 0.00 C ATOM 8 NE ARG A 1 29.762 12.838 -21.171 1.00 0.00 N ATOM 9 CZ ARG A 1 30.881 13.537 -21.454 1.00 0.00 C ATOM 10 NH1 ARG A 1 31.743 13.100 -22.395 1.00 0.00 N ATOM 11 NH2 ARG A 1 31.118 14.656 -20.796 1.00 0.00 N ATOM 0 H1 ARG A 1 30.131 10.917 -25.490 1.00 0.00 H new ATOM 0 H2 ARG A 1 29.331 11.111 -26.975 1.00 0.00 H new ATOM 0 H3 ARG A 1 29.367 12.388 -25.856 1.00 0.00 H new ATOM 0 HA ARG A 1 27.820 9.937 -25.871 1.00 0.00 H new ATOM 0 HB2 ARG A 1 27.376 10.114 -23.472 1.00 0.00 H new ATOM 0 HB3 ARG A 1 29.091 9.870 -23.736 1.00 0.00 H new ATOM 0 HG2 ARG A 1 29.134 12.554 -23.741 1.00 0.00 H new ATOM 0 HG3 ARG A 1 27.645 12.362 -22.838 1.00 0.00 H new ATOM 0 HD2 ARG A 1 28.796 10.954 -21.158 1.00 0.00 H new ATOM 0 HD3 ARG A 1 30.279 11.003 -22.091 1.00 0.00 H new ATOM 0 HE ARG A 1 29.138 13.205 -20.453 1.00 0.00 H new ATOM 0 HH11 ARG A 1 31.552 12.234 -22.899 1.00 0.00 H new ATOM 0 HH12 ARG A 1 32.586 13.635 -22.602 1.00 0.00 H new ATOM 0 HH21 ARG A 1 30.460 14.980 -20.087 1.00 0.00 H new ATOM 0 HH22 ARG A 1 31.959 15.197 -20.997 1.00 0.00 H new ATOM 21 N GLY A 2 25.956 11.487 -26.305 1.00 0.00 N ATOM 22 CA GLY A 2 24.820 12.356 -26.562 1.00 0.00 C ATOM 23 C GLY A 2 23.912 12.450 -25.334 1.00 0.00 C ATOM 24 O GLY A 2 24.348 12.183 -24.214 1.00 0.00 O ATOM 0 H GLY A 2 25.902 10.572 -26.752 1.00 0.00 H new ATOM 0 HA2 GLY A 2 25.173 13.351 -26.835 1.00 0.00 H new ATOM 0 HA3 GLY A 2 24.251 11.976 -27.411 1.00 0.00 H new ATOM 28 N GLU A 3 22.669 12.830 -25.584 1.00 0.00 N ATOM 29 CA GLU A 3 21.695 12.962 -24.512 1.00 0.00 C ATOM 30 C GLU A 3 20.556 11.958 -24.704 1.00 0.00 C ATOM 31 O GLU A 3 19.449 12.338 -25.084 1.00 0.00 O ATOM 32 CB GLU A 3 21.159 14.392 -24.432 1.00 0.00 C ATOM 33 CG GLU A 3 21.972 15.227 -23.440 1.00 0.00 C ATOM 34 CD GLU A 3 22.081 16.681 -23.907 1.00 0.00 C ATOM 35 OE1 GLU A 3 21.332 17.102 -24.800 1.00 0.00 O ATOM 36 OE2 GLU A 3 22.981 17.381 -23.305 1.00 0.00 O ATOM 0 H GLU A 3 22.312 13.051 -26.514 1.00 0.00 H new ATOM 0 HA GLU A 3 22.191 12.742 -23.567 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.197 14.854 -25.418 1.00 0.00 H new ATOM 0 HB3 GLU A 3 20.113 14.376 -24.127 1.00 0.00 H new ATOM 0 HG2 GLU A 3 21.501 15.191 -22.458 1.00 0.00 H new ATOM 0 HG3 GLU A 3 22.969 14.800 -23.332 1.00 0.00 H new ATOM 42 N CYS A 4 20.866 10.700 -24.432 1.00 0.00 N ATOM 43 CA CYS A 4 19.881 9.640 -24.568 1.00 0.00 C ATOM 44 C CYS A 4 20.209 8.545 -23.551 1.00 0.00 C ATOM 45 O CYS A 4 20.147 7.359 -23.869 1.00 0.00 O ATOM 46 CB CYS A 4 19.832 9.096 -25.997 1.00 0.00 C ATOM 47 SG CYS A 4 19.597 10.469 -27.183 1.00 0.00 S ATOM 0 H CYS A 4 21.786 10.390 -24.118 1.00 0.00 H new ATOM 0 HA CYS A 4 18.886 10.036 -24.365 1.00 0.00 H new ATOM 0 HB2 CYS A 4 20.755 8.563 -26.224 1.00 0.00 H new ATOM 0 HB3 CYS A 4 19.018 8.378 -26.094 1.00 0.00 H new ATOM 0 HG CYS A 4 19.068 11.486 -26.570 1.00 0.00 H new ATOM 52 N LYS A 5 20.551 8.983 -22.348 1.00 0.00 N ATOM 53 CA LYS A 5 20.888 8.055 -21.281 1.00 0.00 C ATOM 54 C LYS A 5 20.316 8.572 -19.961 1.00 0.00 C ATOM 55 O LYS A 5 20.800 9.562 -19.416 1.00 0.00 O ATOM 56 CB LYS A 5 22.398 7.809 -21.243 1.00 0.00 C ATOM 57 CG LYS A 5 22.768 6.549 -22.028 1.00 0.00 C ATOM 58 CD LYS A 5 24.142 6.696 -22.687 1.00 0.00 C ATOM 59 CE LYS A 5 24.104 6.229 -24.142 1.00 0.00 C ATOM 60 NZ LYS A 5 25.121 6.947 -24.943 1.00 0.00 N ATOM 0 H LYS A 5 20.602 9.968 -22.088 1.00 0.00 H new ATOM 0 HA LYS A 5 20.434 7.081 -21.465 1.00 0.00 H new ATOM 0 HB2 LYS A 5 22.921 8.669 -21.661 1.00 0.00 H new ATOM 0 HB3 LYS A 5 22.728 7.708 -20.209 1.00 0.00 H new ATOM 0 HG2 LYS A 5 22.772 5.688 -21.360 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.014 6.357 -22.791 1.00 0.00 H new ATOM 0 HD2 LYS A 5 24.461 7.738 -22.644 1.00 0.00 H new ATOM 0 HD3 LYS A 5 24.879 6.114 -22.134 1.00 0.00 H new ATOM 0 HE2 LYS A 5 24.286 5.155 -24.190 1.00 0.00 H new ATOM 0 HE3 LYS A 5 23.113 6.404 -24.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 25.082 6.618 -25.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 24.930 7.969 -24.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 26.066 6.759 -24.553 1.00 0.00 H new ATOM 69 N PHE A 6 19.292 7.879 -19.484 1.00 0.00 N ATOM 70 CA PHE A 6 18.649 8.256 -18.238 1.00 0.00 C ATOM 71 C PHE A 6 18.224 7.019 -17.444 1.00 0.00 C ATOM 72 O PHE A 6 17.111 6.521 -17.613 1.00 0.00 O ATOM 73 CB PHE A 6 17.403 9.066 -18.604 1.00 0.00 C ATOM 74 CG PHE A 6 17.644 10.574 -18.692 1.00 0.00 C ATOM 75 CD1 PHE A 6 18.333 11.093 -19.742 1.00 0.00 C ATOM 76 CD2 PHE A 6 17.170 11.396 -17.717 1.00 0.00 C ATOM 77 CE1 PHE A 6 18.558 12.493 -19.824 1.00 0.00 C ATOM 78 CE2 PHE A 6 17.394 12.797 -17.799 1.00 0.00 C ATOM 79 CZ PHE A 6 18.083 13.314 -18.850 1.00 0.00 C ATOM 0 H PHE A 6 18.892 7.058 -19.939 1.00 0.00 H new ATOM 0 HA PHE A 6 19.341 8.830 -17.622 1.00 0.00 H new ATOM 0 HB2 PHE A 6 17.021 8.713 -19.562 1.00 0.00 H new ATOM 0 HB3 PHE A 6 16.627 8.875 -17.862 1.00 0.00 H new ATOM 0 HD1 PHE A 6 18.710 10.440 -20.515 1.00 0.00 H new ATOM 0 HD2 PHE A 6 16.624 10.984 -16.881 1.00 0.00 H new ATOM 0 HE1 PHE A 6 19.106 12.905 -20.659 1.00 0.00 H new ATOM 0 HE2 PHE A 6 17.017 13.451 -17.026 1.00 0.00 H new ATOM 0 HZ PHE A 6 18.254 14.379 -18.912 1.00 0.00 H new ATOM 88 N THR A 7 19.131 6.559 -16.596 1.00 0.00 N ATOM 89 CA THR A 7 18.864 5.390 -15.775 1.00 0.00 C ATOM 90 C THR A 7 18.639 5.801 -14.318 1.00 0.00 C ATOM 91 O THR A 7 19.595 6.010 -13.574 1.00 0.00 O ATOM 92 CB THR A 7 20.024 4.410 -15.958 1.00 0.00 C ATOM 93 OG1 THR A 7 19.792 3.833 -17.239 1.00 0.00 O ATOM 94 CG2 THR A 7 19.944 3.224 -14.994 1.00 0.00 C ATOM 0 H THR A 7 20.052 6.975 -16.459 1.00 0.00 H new ATOM 0 HA THR A 7 17.946 4.891 -16.084 1.00 0.00 H new ATOM 0 HB THR A 7 20.969 4.934 -15.812 1.00 0.00 H new ATOM 0 HG1 THR A 7 20.500 3.185 -17.439 1.00 0.00 H new ATOM 0 HG21 THR A 7 20.790 2.558 -15.165 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.970 3.588 -13.967 1.00 0.00 H new ATOM 0 HG23 THR A 7 19.015 2.680 -15.163 1.00 0.00 H new ATOM 102 N VAL A 8 17.369 5.903 -13.956 1.00 0.00 N ATOM 103 CA VAL A 8 17.005 6.285 -12.601 1.00 0.00 C ATOM 104 C VAL A 8 16.124 5.194 -11.988 1.00 0.00 C ATOM 105 O VAL A 8 15.096 4.830 -12.557 1.00 0.00 O ATOM 106 CB VAL A 8 16.338 7.661 -12.606 1.00 0.00 C ATOM 107 CG1 VAL A 8 15.507 7.873 -11.339 1.00 0.00 C ATOM 108 CG2 VAL A 8 17.375 8.772 -12.775 1.00 0.00 C ATOM 0 H VAL A 8 16.579 5.728 -14.577 1.00 0.00 H new ATOM 0 HA VAL A 8 17.894 6.373 -11.977 1.00 0.00 H new ATOM 0 HB VAL A 8 15.662 7.702 -13.460 1.00 0.00 H new ATOM 0 HG11 VAL A 8 15.044 8.859 -11.368 1.00 0.00 H new ATOM 0 HG12 VAL A 8 14.731 7.109 -11.281 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.153 7.802 -10.464 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.874 9.740 -12.775 1.00 0.00 H new ATOM 0 HG22 VAL A 8 18.088 8.732 -11.952 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.903 8.636 -13.719 1.00 0.00 H new HETATM 118 N DPR A 9 16.569 4.693 -10.806 1.00 0.00 N HETATM 119 CA DPR A 9 15.833 3.652 -10.109 1.00 0.00 C HETATM 120 CB DPR A 9 16.368 3.676 -8.687 1.00 0.00 C HETATM 121 CG DPR A 9 17.701 4.403 -8.754 1.00 0.00 C HETATM 122 CD DPR A 9 17.783 5.100 -10.103 1.00 0.00 C HETATM 123 C DPR A 9 16.018 2.296 -10.795 1.00 0.00 C HETATM 124 O DPR A 9 15.550 1.275 -10.294 1.00 0.00 O HETATM 0 HG3 DPR A 9 17.782 5.128 -7.944 1.00 0.00 H new HETATM 0 HG2 DPR A 9 18.526 3.700 -8.636 1.00 0.00 H new HETATM 0 HD3 DPR A 9 18.677 4.800 -10.650 1.00 0.00 H new HETATM 0 HD2 DPR A 9 17.829 6.183 -9.987 1.00 0.00 H new HETATM 0 HB3 DPR A 9 15.677 4.189 -8.019 1.00 0.00 H new HETATM 0 HB2 DPR A 9 16.494 2.665 -8.300 1.00 0.00 H new HETATM 0 HA DPR A 9 14.756 3.821 -10.118 1.00 0.00 H new ATOM 132 N GLY A 10 16.701 2.331 -11.930 1.00 0.00 N ATOM 133 CA GLY A 10 16.955 1.119 -12.687 1.00 0.00 C ATOM 134 C GLY A 10 16.065 1.055 -13.932 1.00 0.00 C ATOM 135 O GLY A 10 16.167 0.119 -14.724 1.00 0.00 O ATOM 0 H GLY A 10 17.086 3.180 -12.343 1.00 0.00 H new ATOM 0 HA2 GLY A 10 18.004 1.083 -12.983 1.00 0.00 H new ATOM 0 HA3 GLY A 10 16.771 0.248 -12.058 1.00 0.00 H new ATOM 139 N ARG A 11 15.215 2.062 -14.064 1.00 0.00 N ATOM 140 CA ARG A 11 14.310 2.132 -15.198 1.00 0.00 C ATOM 141 C ARG A 11 15.039 2.674 -16.428 1.00 0.00 C ATOM 142 O ARG A 11 15.509 3.811 -16.425 1.00 0.00 O ATOM 143 CB ARG A 11 13.109 3.029 -14.890 1.00 0.00 C ATOM 144 CG ARG A 11 11.804 2.230 -14.922 1.00 0.00 C ATOM 145 CD ARG A 11 11.671 1.348 -13.680 1.00 0.00 C ATOM 146 NE ARG A 11 12.433 0.092 -13.866 1.00 0.00 N ATOM 147 CZ ARG A 11 12.866 -0.689 -12.855 1.00 0.00 C ATOM 148 NH1 ARG A 11 12.613 -0.350 -11.572 1.00 0.00 N ATOM 149 NH2 ARG A 11 13.538 -1.789 -13.138 1.00 0.00 N ATOM 0 H ARG A 11 15.134 2.836 -13.405 1.00 0.00 H new ATOM 0 HA ARG A 11 13.953 1.122 -15.399 1.00 0.00 H new ATOM 0 HB2 ARG A 11 13.235 3.487 -13.909 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.061 3.840 -15.617 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.957 2.913 -14.980 1.00 0.00 H new ATOM 0 HG3 ARG A 11 11.775 1.610 -15.818 1.00 0.00 H new ATOM 0 HD2 ARG A 11 12.041 1.881 -12.804 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.621 1.122 -13.495 1.00 0.00 H new ATOM 0 HE ARG A 11 12.644 -0.201 -14.820 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.091 0.501 -11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.943 -0.945 -10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.723 -2.038 -14.110 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.872 -2.390 -12.385 1.00 0.00 H new ATOM 159 N THR A 12 15.112 1.835 -17.451 1.00 0.00 N ATOM 160 CA THR A 12 15.779 2.215 -18.685 1.00 0.00 C ATOM 161 C THR A 12 14.962 3.276 -19.426 1.00 0.00 C ATOM 162 O THR A 12 13.883 2.986 -19.943 1.00 0.00 O ATOM 163 CB THR A 12 16.014 0.947 -19.507 1.00 0.00 C ATOM 164 OG1 THR A 12 14.708 0.407 -19.696 1.00 0.00 O ATOM 165 CG2 THR A 12 16.751 -0.135 -18.714 1.00 0.00 C ATOM 0 H THR A 12 14.720 0.893 -17.451 1.00 0.00 H new ATOM 0 HA THR A 12 16.748 2.674 -18.486 1.00 0.00 H new ATOM 0 HB THR A 12 16.584 1.196 -20.402 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.086 1.129 -19.925 1.00 0.00 H new ATOM 0 HG21 THR A 12 16.893 -1.014 -19.343 1.00 0.00 H new ATOM 0 HG22 THR A 12 17.722 0.245 -18.397 1.00 0.00 H new ATOM 0 HG23 THR A 12 16.164 -0.407 -17.837 1.00 0.00 H new ATOM 173 N ALA A 13 15.505 4.484 -19.454 1.00 0.00 N ATOM 174 CA ALA A 13 14.840 5.590 -20.122 1.00 0.00 C ATOM 175 C ALA A 13 15.856 6.345 -20.982 1.00 0.00 C ATOM 176 O ALA A 13 17.013 6.497 -20.592 1.00 0.00 O ATOM 177 CB ALA A 13 14.173 6.489 -19.081 1.00 0.00 C ATOM 0 H ALA A 13 16.399 4.721 -19.024 1.00 0.00 H new ATOM 0 HA ALA A 13 14.056 5.223 -20.784 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.674 7.318 -19.582 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.440 5.912 -18.518 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.929 6.879 -18.399 1.00 0.00 H new ATOM 183 N LEU A 14 15.387 6.799 -22.134 1.00 0.00 N ATOM 184 CA LEU A 14 16.239 7.535 -23.052 1.00 0.00 C ATOM 185 C LEU A 14 15.559 8.853 -23.427 1.00 0.00 C ATOM 186 O LEU A 14 14.354 8.885 -23.673 1.00 0.00 O ATOM 187 CB LEU A 14 16.606 6.666 -24.258 1.00 0.00 C ATOM 188 CG LEU A 14 17.307 5.344 -23.942 1.00 0.00 C ATOM 189 CD1 LEU A 14 16.293 4.258 -23.580 1.00 0.00 C ATOM 190 CD2 LEU A 14 18.217 4.917 -25.097 1.00 0.00 C ATOM 0 H LEU A 14 14.427 6.671 -22.453 1.00 0.00 H new ATOM 0 HA LEU A 14 17.185 7.789 -22.573 1.00 0.00 H new ATOM 0 HB2 LEU A 14 15.694 6.447 -24.814 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.250 7.248 -24.918 1.00 0.00 H new ATOM 0 HG LEU A 14 17.942 5.494 -23.069 1.00 0.00 H new ATOM 0 HD11 LEU A 14 16.818 3.329 -23.360 1.00 0.00 H new ATOM 0 HD12 LEU A 14 15.724 4.569 -22.704 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.613 4.101 -24.418 1.00 0.00 H new ATOM 0 HD21 LEU A 14 18.704 3.974 -24.847 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.622 4.790 -26.001 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.974 5.683 -25.266 1.00 0.00 H new ATOM 201 N ASN A 15 16.362 9.907 -23.461 1.00 0.00 N ATOM 202 CA ASN A 15 15.852 11.225 -23.804 1.00 0.00 C ATOM 203 C ASN A 15 16.092 11.489 -25.291 1.00 0.00 C ATOM 204 O ASN A 15 17.175 11.219 -25.807 1.00 0.00 O ATOM 205 CB ASN A 15 16.569 12.316 -23.008 1.00 0.00 C ATOM 206 CG ASN A 15 15.583 13.382 -22.529 1.00 0.00 C ATOM 207 OD1 ASN A 15 14.481 13.095 -22.090 1.00 0.00 O ATOM 208 ND2 ASN A 15 16.037 14.628 -22.637 1.00 0.00 N ATOM 0 H ASN A 15 17.361 9.876 -23.257 1.00 0.00 H new ATOM 0 HA ASN A 15 14.788 11.247 -23.569 1.00 0.00 H new ATOM 0 HB2 ASN A 15 17.075 11.872 -22.151 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.337 12.778 -23.628 1.00 0.00 H new ATOM 0 HD21 ASN A 15 15.453 15.411 -22.344 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.969 14.800 -23.013 1.00 0.00 H new ATOM 214 N THR A 16 15.061 12.014 -25.939 1.00 0.00 N ATOM 215 CA THR A 16 15.147 12.318 -27.358 1.00 0.00 C ATOM 216 C THR A 16 14.751 13.773 -27.616 1.00 0.00 C ATOM 217 O THR A 16 13.673 14.043 -28.141 1.00 0.00 O ATOM 218 CB THR A 16 14.277 11.309 -28.111 1.00 0.00 C ATOM 219 OG1 THR A 16 15.015 10.092 -28.040 1.00 0.00 O ATOM 220 CG2 THR A 16 14.196 11.608 -29.609 1.00 0.00 C ATOM 0 H THR A 16 14.164 12.236 -25.508 1.00 0.00 H new ATOM 0 HA THR A 16 16.170 12.223 -27.722 1.00 0.00 H new ATOM 0 HB THR A 16 13.273 11.308 -27.686 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.522 9.383 -28.503 1.00 0.00 H new ATOM 0 HG21 THR A 16 13.567 10.862 -30.095 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.767 12.599 -29.760 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.196 11.576 -30.041 1.00 0.00 H new HETATM 228 N DPR A 17 15.671 14.696 -27.227 1.00 0.00 N HETATM 229 CA DPR A 17 15.429 16.116 -27.410 1.00 0.00 C HETATM 230 CB DPR A 17 16.796 16.768 -27.281 1.00 0.00 C HETATM 231 CG DPR A 17 17.678 15.752 -26.572 1.00 0.00 C HETATM 232 CD DPR A 17 16.960 14.412 -26.602 1.00 0.00 C HETATM 233 C DPR A 17 14.420 16.638 -26.385 1.00 0.00 C HETATM 234 O DPR A 17 14.769 16.879 -25.231 1.00 0.00 O HETATM 0 HG3 DPR A 17 18.647 15.677 -27.065 1.00 0.00 H new HETATM 0 HG2 DPR A 17 17.867 16.061 -25.544 1.00 0.00 H new HETATM 0 HD3 DPR A 17 16.833 14.008 -25.598 1.00 0.00 H new HETATM 0 HD2 DPR A 17 17.523 13.674 -27.173 1.00 0.00 H new HETATM 0 HB3 DPR A 17 17.202 17.021 -28.260 1.00 0.00 H new HETATM 0 HB2 DPR A 17 16.734 17.696 -26.712 1.00 0.00 H new HETATM 0 HA DPR A 17 14.982 16.344 -28.378 1.00 0.00 H new ATOM 242 N ALA A 18 13.187 16.796 -26.844 1.00 0.00 N ATOM 243 CA ALA A 18 12.123 17.284 -25.982 1.00 0.00 C ATOM 244 C ALA A 18 11.199 16.123 -25.613 1.00 0.00 C ATOM 245 O ALA A 18 10.305 16.277 -24.783 1.00 0.00 O ATOM 246 CB ALA A 18 11.380 18.423 -26.683 1.00 0.00 C ATOM 0 H ALA A 18 12.901 16.595 -27.802 1.00 0.00 H new ATOM 0 HA ALA A 18 12.533 17.685 -25.055 1.00 0.00 H new ATOM 0 HB1 ALA A 18 10.582 18.789 -26.037 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.076 19.235 -26.896 1.00 0.00 H new ATOM 0 HB3 ALA A 18 10.952 18.058 -27.617 1.00 0.00 H new ATOM 252 N VAL A 19 11.445 14.986 -26.247 1.00 0.00 N ATOM 253 CA VAL A 19 10.646 13.799 -25.995 1.00 0.00 C ATOM 254 C VAL A 19 11.420 12.854 -25.074 1.00 0.00 C ATOM 255 O VAL A 19 12.621 12.656 -25.251 1.00 0.00 O ATOM 256 CB VAL A 19 10.245 13.149 -27.321 1.00 0.00 C ATOM 257 CG1 VAL A 19 9.547 11.808 -27.084 1.00 0.00 C ATOM 258 CG2 VAL A 19 9.364 14.087 -28.148 1.00 0.00 C ATOM 0 H VAL A 19 12.187 14.862 -26.936 1.00 0.00 H new ATOM 0 HA VAL A 19 9.720 14.062 -25.484 1.00 0.00 H new ATOM 0 HB VAL A 19 11.155 12.958 -27.889 1.00 0.00 H new ATOM 0 HG11 VAL A 19 9.272 11.367 -28.042 1.00 0.00 H new ATOM 0 HG12 VAL A 19 10.222 11.135 -26.555 1.00 0.00 H new ATOM 0 HG13 VAL A 19 8.649 11.966 -26.486 1.00 0.00 H new ATOM 0 HG21 VAL A 19 9.094 13.600 -29.085 1.00 0.00 H new ATOM 0 HG22 VAL A 19 8.459 14.324 -27.588 1.00 0.00 H new ATOM 0 HG23 VAL A 19 9.910 15.006 -28.361 1.00 0.00 H new ATOM 268 N GLN A 20 10.701 12.295 -24.113 1.00 0.00 N ATOM 269 CA GLN A 20 11.305 11.376 -23.164 1.00 0.00 C ATOM 270 C GLN A 20 10.532 10.054 -23.140 1.00 0.00 C ATOM 271 O GLN A 20 9.333 10.038 -22.868 1.00 0.00 O ATOM 272 CB GLN A 20 11.375 11.995 -21.768 1.00 0.00 C ATOM 273 CG GLN A 20 9.976 12.157 -21.169 1.00 0.00 C ATOM 274 CD GLN A 20 9.882 13.434 -20.331 1.00 0.00 C ATOM 275 OE1 GLN A 20 9.985 14.543 -20.829 1.00 0.00 O ATOM 276 NE2 GLN A 20 9.679 13.217 -19.034 1.00 0.00 N ATOM 0 H GLN A 20 9.705 12.461 -23.971 1.00 0.00 H new ATOM 0 HA GLN A 20 12.326 11.172 -23.486 1.00 0.00 H new ATOM 0 HB2 GLN A 20 11.982 11.366 -21.117 1.00 0.00 H new ATOM 0 HB3 GLN A 20 11.866 12.966 -21.821 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.236 12.187 -21.968 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.740 11.293 -20.548 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.602 12.263 -18.683 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.600 14.005 -18.391 1.00 0.00 H new ATOM 283 N LYS A 21 11.252 8.981 -23.429 1.00 0.00 N ATOM 284 CA LYS A 21 10.649 7.659 -23.444 1.00 0.00 C ATOM 285 C LYS A 21 11.172 6.851 -22.253 1.00 0.00 C ATOM 286 O LYS A 21 12.378 6.673 -22.101 1.00 0.00 O ATOM 287 CB LYS A 21 10.880 6.980 -24.795 1.00 0.00 C ATOM 288 CG LYS A 21 12.364 6.668 -25.006 1.00 0.00 C ATOM 289 CD LYS A 21 12.674 6.459 -26.490 1.00 0.00 C ATOM 290 CE LYS A 21 13.500 5.190 -26.703 1.00 0.00 C ATOM 291 NZ LYS A 21 14.655 5.464 -27.587 1.00 0.00 N ATOM 0 H LYS A 21 12.247 8.999 -23.655 1.00 0.00 H new ATOM 0 HA LYS A 21 9.567 7.733 -23.331 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.300 6.058 -24.847 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.523 7.627 -25.597 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.970 7.485 -24.616 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.635 5.774 -24.445 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.744 6.391 -27.054 1.00 0.00 H new ATOM 0 HD3 LYS A 21 13.218 7.321 -26.877 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.851 4.813 -25.743 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.875 4.412 -27.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.205 4.591 -27.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.314 5.803 -28.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.259 6.191 -27.153 1.00 0.00 H new ATOM 300 N TRP A 22 10.234 6.386 -21.440 1.00 0.00 N ATOM 301 CA TRP A 22 10.585 5.602 -20.267 1.00 0.00 C ATOM 302 C TRP A 22 10.067 4.178 -20.478 1.00 0.00 C ATOM 303 O TRP A 22 8.935 3.985 -20.919 1.00 0.00 O ATOM 304 CB TRP A 22 10.046 6.251 -18.992 1.00 0.00 C ATOM 305 CG TRP A 22 10.969 7.317 -18.397 1.00 0.00 C ATOM 306 CD1 TRP A 22 11.503 8.381 -19.011 1.00 0.00 C ATOM 307 CD2 TRP A 22 11.447 7.378 -17.037 1.00 0.00 C ATOM 308 NE1 TRP A 22 12.289 9.121 -18.150 1.00 0.00 N ATOM 309 CE2 TRP A 22 12.253 8.491 -16.912 1.00 0.00 C ATOM 310 CE3 TRP A 22 11.208 6.522 -15.949 1.00 0.00 C ATOM 311 CZ2 TRP A 22 12.885 8.850 -15.714 1.00 0.00 C ATOM 312 CZ3 TRP A 22 11.845 6.893 -14.759 1.00 0.00 C ATOM 313 CH2 TRP A 22 12.660 8.011 -14.616 1.00 0.00 C ATOM 0 H TRP A 22 9.234 6.537 -21.570 1.00 0.00 H new ATOM 0 HA TRP A 22 11.667 5.564 -20.139 1.00 0.00 H new ATOM 0 HB2 TRP A 22 9.078 6.703 -19.208 1.00 0.00 H new ATOM 0 HB3 TRP A 22 9.876 5.475 -18.246 1.00 0.00 H new ATOM 0 HD1 TRP A 22 11.339 8.629 -20.049 1.00 0.00 H new ATOM 0 HE1 TRP A 22 12.801 9.972 -18.380 1.00 0.00 H new ATOM 0 HE3 TRP A 22 10.581 5.646 -16.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 13.512 9.727 -15.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.693 6.268 -13.892 1.00 0.00 H new ATOM 0 HH2 TRP A 22 13.117 8.231 -13.663 1.00 0.00 H new ATOM 323 N HIS A 23 10.920 3.217 -20.152 1.00 0.00 N ATOM 324 CA HIS A 23 10.561 1.817 -20.302 1.00 0.00 C ATOM 325 C HIS A 23 10.821 1.078 -18.986 1.00 0.00 C ATOM 326 O HIS A 23 11.964 0.975 -18.544 1.00 0.00 O ATOM 327 CB HIS A 23 11.298 1.190 -21.488 1.00 0.00 C ATOM 328 CG HIS A 23 10.626 -0.042 -22.047 1.00 0.00 C ATOM 329 ND1 HIS A 23 10.670 -0.376 -23.389 1.00 0.00 N ATOM 330 CD2 HIS A 23 9.894 -1.015 -21.431 1.00 0.00 C ATOM 331 CE1 HIS A 23 9.992 -1.500 -23.563 1.00 0.00 C ATOM 332 NE2 HIS A 23 9.511 -1.894 -22.348 1.00 0.00 N ATOM 0 H HIS A 23 11.858 3.380 -19.785 1.00 0.00 H new ATOM 0 HA HIS A 23 9.497 1.733 -20.524 1.00 0.00 H new ATOM 0 HB2 HIS A 23 11.389 1.933 -22.280 1.00 0.00 H new ATOM 0 HB3 HIS A 23 12.310 0.930 -21.178 1.00 0.00 H new ATOM 0 HD2 HIS A 23 9.665 -1.062 -20.377 1.00 0.00 H new ATOM 0 HE1 HIS A 23 9.845 -2.014 -24.501 1.00 0.00 H new ATOM 0 HE2 HIS A 23 8.949 -2.727 -22.174 1.00 0.00 H new ATOM 339 N PHE A 24 9.740 0.585 -18.400 1.00 0.00 N ATOM 340 CA PHE A 24 9.835 -0.141 -17.143 1.00 0.00 C ATOM 341 C PHE A 24 9.848 -1.651 -17.383 1.00 0.00 C ATOM 342 O PHE A 24 8.862 -2.217 -17.855 1.00 0.00 O ATOM 343 CB PHE A 24 8.598 0.224 -16.322 1.00 0.00 C ATOM 344 CG PHE A 24 8.593 1.665 -15.806 1.00 0.00 C ATOM 345 CD1 PHE A 24 8.558 2.702 -16.685 1.00 0.00 C ATOM 346 CD2 PHE A 24 8.627 1.908 -14.469 1.00 0.00 C ATOM 347 CE1 PHE A 24 8.556 4.039 -16.206 1.00 0.00 C ATOM 348 CE2 PHE A 24 8.624 3.245 -13.990 1.00 0.00 C ATOM 349 CZ PHE A 24 8.588 4.282 -14.869 1.00 0.00 C ATOM 0 H PHE A 24 8.794 0.673 -18.771 1.00 0.00 H new ATOM 0 HA PHE A 24 10.758 0.125 -16.627 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.710 0.065 -16.933 1.00 0.00 H new ATOM 0 HB3 PHE A 24 8.526 -0.455 -15.472 1.00 0.00 H new ATOM 0 HD1 PHE A 24 8.532 2.509 -17.747 1.00 0.00 H new ATOM 0 HD2 PHE A 24 8.656 1.084 -13.771 1.00 0.00 H new ATOM 0 HE1 PHE A 24 8.529 4.863 -16.904 1.00 0.00 H new ATOM 0 HE2 PHE A 24 8.650 3.438 -12.928 1.00 0.00 H new ATOM 0 HZ PHE A 24 8.585 5.299 -14.505 1.00 0.00 H new ATOM 358 N VAL A 25 10.974 -2.262 -17.046 1.00 0.00 N ATOM 359 CA VAL A 25 11.129 -3.696 -17.219 1.00 0.00 C ATOM 360 C VAL A 25 11.242 -4.361 -15.845 1.00 0.00 C ATOM 361 O VAL A 25 12.210 -4.138 -15.121 1.00 0.00 O ATOM 362 CB VAL A 25 12.326 -3.990 -18.125 1.00 0.00 C ATOM 363 CG1 VAL A 25 12.067 -3.499 -19.551 1.00 0.00 C ATOM 364 CG2 VAL A 25 13.606 -3.373 -17.558 1.00 0.00 C ATOM 0 H VAL A 25 11.788 -1.790 -16.654 1.00 0.00 H new ATOM 0 HA VAL A 25 10.254 -4.117 -17.714 1.00 0.00 H new ATOM 0 HB VAL A 25 12.462 -5.071 -18.162 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.933 -3.720 -20.175 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.190 -4.004 -19.956 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.893 -2.423 -19.539 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.442 -3.596 -18.221 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.485 -2.293 -17.478 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.804 -3.790 -16.570 1.00 0.00 H new ATOM 374 N LEU A 26 10.238 -5.165 -15.529 1.00 0.00 N ATOM 375 CA LEU A 26 10.211 -5.864 -14.255 1.00 0.00 C ATOM 376 C LEU A 26 9.873 -7.336 -14.493 1.00 0.00 C ATOM 377 O LEU A 26 8.787 -7.793 -14.138 1.00 0.00 O ATOM 378 CB LEU A 26 9.262 -5.164 -13.279 1.00 0.00 C ATOM 379 CG LEU A 26 9.804 -3.903 -12.604 1.00 0.00 C ATOM 380 CD1 LEU A 26 9.873 -2.738 -13.593 1.00 0.00 C ATOM 381 CD2 LEU A 26 8.985 -3.552 -11.360 1.00 0.00 C ATOM 0 H LEU A 26 9.437 -5.348 -16.133 1.00 0.00 H new ATOM 0 HA LEU A 26 11.193 -5.835 -13.784 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.350 -4.902 -13.815 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.982 -5.876 -12.503 1.00 0.00 H new ATOM 0 HG LEU A 26 10.823 -4.104 -12.272 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.262 -1.854 -13.087 1.00 0.00 H new ATOM 0 HD12 LEU A 26 10.532 -3.002 -14.420 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.875 -2.527 -13.977 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.391 -2.652 -10.899 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.947 -3.377 -11.645 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.032 -4.377 -10.649 1.00 0.00 H new HETATM 392 N DPR A 27 10.848 -8.059 -15.109 1.00 0.00 N HETATM 393 CA DPR A 27 10.663 -9.469 -15.399 1.00 0.00 C HETATM 394 CB DPR A 27 12.062 -10.004 -15.658 1.00 0.00 C HETATM 395 CG DPR A 27 12.924 -8.788 -15.961 1.00 0.00 C HETATM 396 CD DPR A 27 12.146 -7.551 -15.544 1.00 0.00 C HETATM 397 C DPR A 27 9.719 -9.667 -16.587 1.00 0.00 C HETATM 398 O DPR A 27 10.100 -9.435 -17.733 1.00 0.00 O HETATM 0 HG3 DPR A 27 13.869 -8.845 -15.420 1.00 0.00 H new HETATM 0 HG2 DPR A 27 13.166 -8.747 -17.023 1.00 0.00 H new HETATM 0 HD3 DPR A 27 12.040 -6.852 -16.373 1.00 0.00 H new HETATM 0 HD2 DPR A 27 12.652 -7.017 -14.740 1.00 0.00 H new HETATM 0 HB3 DPR A 27 12.440 -10.544 -14.790 1.00 0.00 H new HETATM 0 HB2 DPR A 27 12.064 -10.703 -16.495 1.00 0.00 H new HETATM 0 HA DPR A 27 10.189 -10.008 -14.578 1.00 0.00 H new ATOM 406 N GLY A 28 8.505 -10.094 -16.271 1.00 0.00 N ATOM 407 CA GLY A 28 7.503 -10.325 -17.298 1.00 0.00 C ATOM 408 C GLY A 28 6.622 -9.090 -17.492 1.00 0.00 C ATOM 409 O GLY A 28 5.854 -9.015 -18.450 1.00 0.00 O ATOM 0 H GLY A 28 8.193 -10.286 -15.319 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.993 -10.578 -18.238 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.884 -11.178 -17.021 1.00 0.00 H new ATOM 413 N TYR A 29 6.762 -8.151 -16.568 1.00 0.00 N ATOM 414 CA TYR A 29 5.988 -6.922 -16.625 1.00 0.00 C ATOM 415 C TYR A 29 6.636 -5.911 -17.573 1.00 0.00 C ATOM 416 O TYR A 29 7.774 -5.496 -17.361 1.00 0.00 O ATOM 417 CB TYR A 29 5.996 -6.351 -15.206 1.00 0.00 C ATOM 418 CG TYR A 29 5.008 -7.031 -14.256 1.00 0.00 C ATOM 419 CD1 TYR A 29 4.989 -8.407 -14.148 1.00 0.00 C ATOM 420 CD2 TYR A 29 4.135 -6.267 -13.507 1.00 0.00 C ATOM 421 CE1 TYR A 29 4.058 -9.047 -13.255 1.00 0.00 C ATOM 422 CE2 TYR A 29 3.204 -6.908 -12.613 1.00 0.00 C ATOM 423 CZ TYR A 29 3.211 -8.266 -12.530 1.00 0.00 C ATOM 424 OH TYR A 29 2.333 -8.869 -11.688 1.00 0.00 O ATOM 0 H TYR A 29 7.400 -8.216 -15.775 1.00 0.00 H new ATOM 0 HA TYR A 29 4.980 -7.120 -16.989 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.001 -6.442 -14.794 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.766 -5.287 -15.252 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.673 -9.004 -14.733 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.150 -5.190 -13.591 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.032 -10.123 -13.163 1.00 0.00 H new ATOM 0 HE2 TYR A 29 2.515 -6.323 -12.022 1.00 0.00 H new ATOM 0 HH TYR A 29 1.793 -8.188 -11.236 1.00 0.00 H new ATOM 433 N LYS A 30 5.882 -5.542 -18.599 1.00 0.00 N ATOM 434 CA LYS A 30 6.368 -4.587 -19.579 1.00 0.00 C ATOM 435 C LYS A 30 5.456 -3.359 -19.585 1.00 0.00 C ATOM 436 O LYS A 30 4.340 -3.413 -20.102 1.00 0.00 O ATOM 437 CB LYS A 30 6.512 -5.253 -20.950 1.00 0.00 C ATOM 438 CG LYS A 30 7.628 -6.299 -20.937 1.00 0.00 C ATOM 439 CD LYS A 30 7.825 -6.908 -22.325 1.00 0.00 C ATOM 440 CE LYS A 30 8.765 -8.114 -22.268 1.00 0.00 C ATOM 441 NZ LYS A 30 9.953 -7.886 -23.119 1.00 0.00 N ATOM 0 H LYS A 30 4.938 -5.888 -18.772 1.00 0.00 H new ATOM 0 HA LYS A 30 7.366 -4.241 -19.311 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.570 -5.725 -21.230 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.726 -4.497 -21.705 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.558 -5.839 -20.602 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.386 -7.085 -20.222 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.861 -7.213 -22.732 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.233 -6.156 -23.001 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.076 -8.291 -21.239 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.239 -9.009 -22.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.580 -8.714 -23.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.652 -7.739 -24.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.464 -7.044 -22.784 1.00 0.00 H new ATOM 450 N CYS A 31 5.963 -2.282 -19.003 1.00 0.00 N ATOM 451 CA CYS A 31 5.207 -1.043 -18.935 1.00 0.00 C ATOM 452 C CYS A 31 5.985 0.036 -19.690 1.00 0.00 C ATOM 453 O CYS A 31 7.150 0.293 -19.391 1.00 0.00 O ATOM 454 CB CYS A 31 4.922 -0.633 -17.489 1.00 0.00 C ATOM 455 SG CYS A 31 4.731 -2.028 -16.320 1.00 0.00 S ATOM 0 H CYS A 31 6.888 -2.242 -18.574 1.00 0.00 H new ATOM 0 HA CYS A 31 4.233 -1.183 -19.403 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.733 0.006 -17.141 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.012 -0.033 -17.469 1.00 0.00 H new ATOM 459 N GLU A 32 5.308 0.641 -20.658 1.00 0.00 N ATOM 460 CA GLU A 32 5.922 1.686 -21.458 1.00 0.00 C ATOM 461 C GLU A 32 5.114 2.981 -21.350 1.00 0.00 C ATOM 462 O GLU A 32 3.889 2.963 -21.459 1.00 0.00 O ATOM 463 CB GLU A 32 6.061 1.247 -22.918 1.00 0.00 C ATOM 464 CG GLU A 32 6.917 2.240 -23.708 1.00 0.00 C ATOM 465 CD GLU A 32 7.628 1.546 -24.873 1.00 0.00 C ATOM 466 OE1 GLU A 32 8.621 0.836 -24.656 1.00 0.00 O ATOM 467 OE2 GLU A 32 7.112 1.764 -26.034 1.00 0.00 O ATOM 0 H GLU A 32 4.342 0.427 -20.905 1.00 0.00 H new ATOM 0 HA GLU A 32 6.924 1.872 -21.071 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.512 0.256 -22.962 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.074 1.168 -23.374 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.288 3.045 -24.089 1.00 0.00 H new ATOM 0 HG3 GLU A 32 7.654 2.696 -23.047 1.00 0.00 H new ATOM 473 N ILE A 33 5.832 4.074 -21.137 1.00 0.00 N ATOM 474 CA ILE A 33 5.197 5.374 -21.012 1.00 0.00 C ATOM 475 C ILE A 33 5.815 6.338 -22.027 1.00 0.00 C ATOM 476 O ILE A 33 7.012 6.270 -22.304 1.00 0.00 O ATOM 477 CB ILE A 33 5.273 5.871 -19.567 1.00 0.00 C ATOM 478 CG1 ILE A 33 6.712 6.216 -19.180 1.00 0.00 C ATOM 479 CG2 ILE A 33 4.649 4.858 -18.606 1.00 0.00 C ATOM 480 CD1 ILE A 33 6.748 7.369 -18.175 1.00 0.00 C ATOM 0 H ILE A 33 6.848 4.085 -21.048 1.00 0.00 H new ATOM 0 HA ILE A 33 4.134 5.303 -21.245 1.00 0.00 H new ATOM 0 HB ILE A 33 4.691 6.789 -19.491 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.197 5.339 -18.751 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.277 6.488 -20.072 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.716 5.235 -17.586 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.602 4.705 -18.868 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.184 3.911 -18.678 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.783 7.594 -17.917 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.284 8.251 -18.616 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.203 7.084 -17.275 1.00 0.00 H new ATOM 491 N LEU A 34 4.971 7.213 -22.553 1.00 0.00 N ATOM 492 CA LEU A 34 5.420 8.190 -23.531 1.00 0.00 C ATOM 493 C LEU A 34 5.125 9.598 -23.011 1.00 0.00 C ATOM 494 O LEU A 34 3.969 9.952 -22.784 1.00 0.00 O ATOM 495 CB LEU A 34 4.803 7.898 -24.901 1.00 0.00 C ATOM 496 CG LEU A 34 5.514 8.524 -26.104 1.00 0.00 C ATOM 497 CD1 LEU A 34 6.006 7.446 -27.070 1.00 0.00 C ATOM 498 CD2 LEU A 34 4.616 9.551 -26.797 1.00 0.00 C ATOM 0 H LEU A 34 3.979 7.266 -22.321 1.00 0.00 H new ATOM 0 HA LEU A 34 6.499 8.121 -23.671 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.775 6.818 -25.042 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.770 8.245 -24.894 1.00 0.00 H new ATOM 0 HG LEU A 34 6.393 9.058 -25.743 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.507 7.917 -27.916 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.705 6.787 -26.555 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.157 6.864 -27.429 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.144 9.981 -27.648 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.705 9.063 -27.144 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.358 10.342 -26.093 1.00 0.00 H new ATOM 509 N ALA A 35 6.192 10.366 -22.838 1.00 0.00 N ATOM 510 CA ALA A 35 6.063 11.727 -22.349 1.00 0.00 C ATOM 511 C ALA A 35 6.845 12.669 -23.266 1.00 0.00 C ATOM 512 O ALA A 35 7.927 12.326 -23.738 1.00 0.00 O ATOM 513 CB ALA A 35 6.541 11.797 -20.898 1.00 0.00 C ATOM 0 H ALA A 35 7.149 10.070 -23.028 1.00 0.00 H new ATOM 0 HA ALA A 35 5.020 12.042 -22.363 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.444 12.819 -20.532 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.935 11.132 -20.283 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.585 11.490 -20.844 1.00 0.00 H new TER 519 ALA A 35 ATOM 520 N ARG B 1 -19.489 -17.173 -25.276 1.00 0.00 N ATOM 521 CA ARG B 1 -20.385 -17.416 -24.157 1.00 0.00 C ATOM 522 C ARG B 1 -19.665 -17.154 -22.834 1.00 0.00 C ATOM 523 O ARG B 1 -18.704 -17.844 -22.498 1.00 0.00 O ATOM 524 CB ARG B 1 -20.904 -18.855 -24.171 1.00 0.00 C ATOM 525 CG ARG B 1 -22.418 -18.890 -24.392 1.00 0.00 C ATOM 526 CD ARG B 1 -23.092 -19.862 -23.420 1.00 0.00 C ATOM 527 NE ARG B 1 -24.420 -20.258 -23.939 1.00 0.00 N ATOM 528 CZ ARG B 1 -25.400 -20.791 -23.180 1.00 0.00 C ATOM 529 NH1 ARG B 1 -25.208 -21.001 -21.860 1.00 0.00 N ATOM 530 NH2 ARG B 1 -26.549 -21.107 -23.749 1.00 0.00 N ATOM 0 H1 ARG B 1 -19.991 -17.355 -26.169 1.00 0.00 H new ATOM 0 H2 ARG B 1 -19.167 -16.184 -25.255 1.00 0.00 H new ATOM 0 H3 ARG B 1 -18.667 -17.806 -25.206 1.00 0.00 H new ATOM 0 HA ARG B 1 -21.231 -16.735 -24.255 1.00 0.00 H new ATOM 0 HB2 ARG B 1 -20.405 -19.418 -24.960 1.00 0.00 H new ATOM 0 HB3 ARG B 1 -20.659 -19.343 -23.227 1.00 0.00 H new ATOM 0 HG2 ARG B 1 -22.832 -17.891 -24.258 1.00 0.00 H new ATOM 0 HG3 ARG B 1 -22.633 -19.189 -25.418 1.00 0.00 H new ATOM 0 HD2 ARG B 1 -22.467 -20.745 -23.284 1.00 0.00 H new ATOM 0 HD3 ARG B 1 -23.200 -19.394 -22.441 1.00 0.00 H new ATOM 0 HE ARG B 1 -24.606 -20.119 -24.932 1.00 0.00 H new ATOM 0 HH11 ARG B 1 -24.317 -20.756 -21.429 1.00 0.00 H new ATOM 0 HH12 ARG B 1 -25.954 -21.404 -21.294 1.00 0.00 H new ATOM 0 HH21 ARG B 1 -26.685 -20.947 -24.747 1.00 0.00 H new ATOM 0 HH22 ARG B 1 -27.301 -21.511 -23.190 1.00 0.00 H new ATOM 540 N GLY B 2 -20.158 -16.154 -22.117 1.00 0.00 N ATOM 541 CA GLY B 2 -19.574 -15.792 -20.837 1.00 0.00 C ATOM 542 C GLY B 2 -18.322 -14.933 -21.029 1.00 0.00 C ATOM 543 O GLY B 2 -17.445 -15.276 -21.819 1.00 0.00 O ATOM 0 H GLY B 2 -20.955 -15.584 -22.399 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -20.306 -15.247 -20.241 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -19.319 -16.694 -20.281 1.00 0.00 H new ATOM 547 N GLU B 3 -18.280 -13.833 -20.293 1.00 0.00 N ATOM 548 CA GLU B 3 -17.150 -12.922 -20.371 1.00 0.00 C ATOM 549 C GLU B 3 -16.370 -12.927 -19.056 1.00 0.00 C ATOM 550 O GLU B 3 -16.958 -13.047 -17.982 1.00 0.00 O ATOM 551 CB GLU B 3 -17.611 -11.506 -20.730 1.00 0.00 C ATOM 552 CG GLU B 3 -18.296 -11.483 -22.098 1.00 0.00 C ATOM 553 CD GLU B 3 -18.725 -10.063 -22.472 1.00 0.00 C ATOM 554 OE1 GLU B 3 -18.020 -9.383 -23.231 1.00 0.00 O ATOM 555 OE2 GLU B 3 -19.835 -9.672 -21.943 1.00 0.00 O ATOM 0 H GLU B 3 -19.010 -13.551 -19.639 1.00 0.00 H new ATOM 0 HA GLU B 3 -16.486 -13.266 -21.164 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -18.299 -11.140 -19.968 1.00 0.00 H new ATOM 0 HB3 GLU B 3 -16.755 -10.832 -20.737 1.00 0.00 H new ATOM 0 HG2 GLU B 3 -17.616 -11.873 -22.856 1.00 0.00 H new ATOM 0 HG3 GLU B 3 -19.167 -12.138 -22.084 1.00 0.00 H new ATOM 561 N CYS B 4 -15.058 -12.797 -19.182 1.00 0.00 N ATOM 562 CA CYS B 4 -14.192 -12.786 -18.016 1.00 0.00 C ATOM 563 C CYS B 4 -13.450 -11.448 -17.982 1.00 0.00 C ATOM 564 O CYS B 4 -12.225 -11.411 -18.097 1.00 0.00 O ATOM 565 CB CYS B 4 -13.228 -13.974 -18.016 1.00 0.00 C ATOM 566 SG CYS B 4 -13.916 -15.338 -17.011 1.00 0.00 S ATOM 0 H CYS B 4 -14.573 -12.698 -20.074 1.00 0.00 H new ATOM 0 HA CYS B 4 -14.793 -12.890 -17.112 1.00 0.00 H new ATOM 0 HB2 CYS B 4 -13.057 -14.314 -19.037 1.00 0.00 H new ATOM 0 HB3 CYS B 4 -12.261 -13.668 -17.616 1.00 0.00 H new ATOM 0 HG CYS B 4 -13.091 -16.342 -17.020 1.00 0.00 H new ATOM 571 N LYS B 5 -14.220 -10.383 -17.824 1.00 0.00 N ATOM 572 CA LYS B 5 -13.651 -9.048 -17.774 1.00 0.00 C ATOM 573 C LYS B 5 -14.028 -8.386 -16.446 1.00 0.00 C ATOM 574 O LYS B 5 -15.200 -8.107 -16.198 1.00 0.00 O ATOM 575 CB LYS B 5 -14.070 -8.239 -19.003 1.00 0.00 C ATOM 576 CG LYS B 5 -13.364 -8.749 -20.261 1.00 0.00 C ATOM 577 CD LYS B 5 -14.330 -8.811 -21.446 1.00 0.00 C ATOM 578 CE LYS B 5 -14.242 -7.541 -22.292 1.00 0.00 C ATOM 579 NZ LYS B 5 -15.321 -7.518 -23.305 1.00 0.00 N ATOM 0 H LYS B 5 -15.235 -10.417 -17.729 1.00 0.00 H new ATOM 0 HA LYS B 5 -12.563 -9.098 -17.809 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -15.150 -8.305 -19.136 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -13.831 -7.187 -18.849 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -12.527 -8.094 -20.503 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -12.949 -9.739 -20.073 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -14.099 -9.680 -22.063 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -15.349 -8.940 -21.082 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -14.319 -6.663 -21.650 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -13.271 -7.492 -22.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -15.723 -6.561 -23.362 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -14.933 -7.786 -24.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -16.066 -8.191 -23.034 1.00 0.00 H new ATOM 588 N PHE B 6 -13.012 -8.155 -15.627 1.00 0.00 N ATOM 589 CA PHE B 6 -13.221 -7.534 -14.331 1.00 0.00 C ATOM 590 C PHE B 6 -12.375 -6.267 -14.187 1.00 0.00 C ATOM 591 O PHE B 6 -11.278 -6.183 -14.740 1.00 0.00 O ATOM 592 CB PHE B 6 -12.785 -8.547 -13.272 1.00 0.00 C ATOM 593 CG PHE B 6 -13.761 -8.685 -12.101 1.00 0.00 C ATOM 594 CD1 PHE B 6 -14.841 -9.504 -12.210 1.00 0.00 C ATOM 595 CD2 PHE B 6 -13.549 -7.988 -10.954 1.00 0.00 C ATOM 596 CE1 PHE B 6 -15.748 -9.632 -11.125 1.00 0.00 C ATOM 597 CE2 PHE B 6 -14.455 -8.116 -9.868 1.00 0.00 C ATOM 598 CZ PHE B 6 -15.535 -8.934 -9.976 1.00 0.00 C ATOM 0 H PHE B 6 -12.041 -8.387 -15.837 1.00 0.00 H new ATOM 0 HA PHE B 6 -14.268 -7.254 -14.218 1.00 0.00 H new ATOM 0 HB2 PHE B 6 -12.662 -9.521 -13.745 1.00 0.00 H new ATOM 0 HB3 PHE B 6 -11.809 -8.255 -12.885 1.00 0.00 H new ATOM 0 HD1 PHE B 6 -15.009 -10.057 -13.122 1.00 0.00 H new ATOM 0 HD2 PHE B 6 -12.692 -7.337 -10.868 1.00 0.00 H new ATOM 0 HE1 PHE B 6 -16.606 -10.282 -11.211 1.00 0.00 H new ATOM 0 HE2 PHE B 6 -14.286 -7.563 -8.956 1.00 0.00 H new ATOM 0 HZ PHE B 6 -16.224 -9.030 -9.150 1.00 0.00 H new ATOM 607 N THR B 7 -12.916 -5.314 -13.443 1.00 0.00 N ATOM 608 CA THR B 7 -12.223 -4.056 -13.219 1.00 0.00 C ATOM 609 C THR B 7 -12.081 -3.784 -11.721 1.00 0.00 C ATOM 610 O THR B 7 -13.061 -3.464 -11.049 1.00 0.00 O ATOM 611 CB THR B 7 -12.984 -2.959 -13.967 1.00 0.00 C ATOM 612 OG1 THR B 7 -12.278 -1.763 -13.644 1.00 0.00 O ATOM 613 CG2 THR B 7 -14.386 -2.727 -13.400 1.00 0.00 C ATOM 0 H THR B 7 -13.826 -5.387 -12.988 1.00 0.00 H new ATOM 0 HA THR B 7 -11.205 -4.090 -13.608 1.00 0.00 H new ATOM 0 HB THR B 7 -13.058 -3.225 -15.022 1.00 0.00 H new ATOM 0 HG1 THR B 7 -12.704 -1.001 -14.089 1.00 0.00 H new ATOM 0 HG21 THR B 7 -14.882 -1.939 -13.967 1.00 0.00 H new ATOM 0 HG22 THR B 7 -14.965 -3.647 -13.474 1.00 0.00 H new ATOM 0 HG23 THR B 7 -14.311 -2.429 -12.354 1.00 0.00 H new ATOM 621 N VAL B 8 -10.855 -3.922 -11.240 1.00 0.00 N ATOM 622 CA VAL B 8 -10.573 -3.694 -9.833 1.00 0.00 C ATOM 623 C VAL B 8 -9.350 -2.782 -9.704 1.00 0.00 C ATOM 624 O VAL B 8 -8.350 -2.977 -10.392 1.00 0.00 O ATOM 625 CB VAL B 8 -10.397 -5.032 -9.112 1.00 0.00 C ATOM 626 CG1 VAL B 8 -8.968 -5.556 -9.266 1.00 0.00 C ATOM 627 CG2 VAL B 8 -10.782 -4.913 -7.637 1.00 0.00 C ATOM 0 H VAL B 8 -10.045 -4.189 -11.800 1.00 0.00 H new ATOM 0 HA VAL B 8 -11.410 -3.187 -9.353 1.00 0.00 H new ATOM 0 HB VAL B 8 -11.069 -5.754 -9.577 1.00 0.00 H new ATOM 0 HG11 VAL B 8 -8.871 -6.508 -8.744 1.00 0.00 H new ATOM 0 HG12 VAL B 8 -8.744 -5.698 -10.323 1.00 0.00 H new ATOM 0 HG13 VAL B 8 -8.269 -4.836 -8.841 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -10.648 -5.877 -7.147 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -10.148 -4.170 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -11.825 -4.607 -7.557 1.00 0.00 H new HETATM 637 N DPR B 9 -9.474 -1.780 -8.792 1.00 0.00 N HETATM 638 CA DPR B 9 -8.394 -0.836 -8.564 1.00 0.00 C HETATM 639 CB DPR B 9 -8.715 -0.187 -7.228 1.00 0.00 C HETATM 640 CG DPR B 9 -10.191 -0.447 -6.981 1.00 0.00 C HETATM 641 CD DPR B 9 -10.645 -1.519 -7.960 1.00 0.00 C HETATM 642 C DPR B 9 -8.293 0.172 -9.711 1.00 0.00 C HETATM 643 O DPR B 9 -7.763 1.266 -9.535 1.00 0.00 O HETATM 0 HG3 DPR B 9 -10.355 -0.774 -5.954 1.00 0.00 H new HETATM 0 HG2 DPR B 9 -10.768 0.467 -7.121 1.00 0.00 H new HETATM 0 HD3 DPR B 9 -11.488 -1.176 -8.559 1.00 0.00 H new HETATM 0 HD2 DPR B 9 -10.969 -2.420 -7.439 1.00 0.00 H new HETATM 0 HB3 DPR B 9 -8.105 -0.612 -6.431 1.00 0.00 H new HETATM 0 HB2 DPR B 9 -8.506 0.882 -7.253 1.00 0.00 H new HETATM 0 HA DPR B 9 -7.416 -1.316 -8.534 1.00 0.00 H new ATOM 651 N GLY B 10 -8.811 -0.236 -10.861 1.00 0.00 N ATOM 652 CA GLY B 10 -8.787 0.618 -12.036 1.00 0.00 C ATOM 653 C GLY B 10 -8.081 -0.075 -13.203 1.00 0.00 C ATOM 654 O GLY B 10 -7.999 0.476 -14.300 1.00 0.00 O ATOM 0 H GLY B 10 -9.249 -1.146 -11.003 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -9.806 0.875 -12.324 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -8.277 1.552 -11.801 1.00 0.00 H new ATOM 658 N ARG B 11 -7.589 -1.273 -12.926 1.00 0.00 N ATOM 659 CA ARG B 11 -6.892 -2.048 -13.940 1.00 0.00 C ATOM 660 C ARG B 11 -7.832 -3.090 -14.550 1.00 0.00 C ATOM 661 O ARG B 11 -8.303 -3.989 -13.854 1.00 0.00 O ATOM 662 CB ARG B 11 -5.670 -2.756 -13.350 1.00 0.00 C ATOM 663 CG ARG B 11 -6.069 -3.641 -12.167 1.00 0.00 C ATOM 664 CD ARG B 11 -5.434 -3.140 -10.868 1.00 0.00 C ATOM 665 NE ARG B 11 -5.844 -4.003 -9.737 1.00 0.00 N ATOM 666 CZ ARG B 11 -5.155 -4.115 -8.582 1.00 0.00 C ATOM 667 NH1 ARG B 11 -4.015 -3.417 -8.394 1.00 0.00 N ATOM 668 NH2 ARG B 11 -5.613 -4.916 -7.639 1.00 0.00 N ATOM 0 H ARG B 11 -7.659 -1.727 -12.015 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.558 -1.357 -14.714 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.191 -3.363 -14.118 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -4.938 -2.017 -13.025 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -7.154 -3.651 -12.065 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -5.757 -4.668 -12.356 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -4.348 -3.140 -10.961 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -5.738 -2.110 -10.679 1.00 0.00 H new ATOM 0 HE ARG B 11 -6.701 -4.547 -9.837 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -3.668 -2.799 -9.128 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -3.500 -3.507 -7.518 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -6.476 -5.439 -7.789 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -5.104 -5.012 -6.760 1.00 0.00 H new ATOM 678 N THR B 12 -8.077 -2.935 -15.843 1.00 0.00 N ATOM 679 CA THR B 12 -8.952 -3.852 -16.553 1.00 0.00 C ATOM 680 C THR B 12 -8.174 -5.091 -17.002 1.00 0.00 C ATOM 681 O THR B 12 -7.275 -4.996 -17.834 1.00 0.00 O ATOM 682 CB THR B 12 -9.596 -3.087 -17.712 1.00 0.00 C ATOM 683 OG1 THR B 12 -10.082 -4.111 -18.576 1.00 0.00 O ATOM 684 CG2 THR B 12 -8.568 -2.338 -18.563 1.00 0.00 C ATOM 0 H THR B 12 -7.685 -2.188 -16.417 1.00 0.00 H new ATOM 0 HA THR B 12 -9.747 -4.222 -15.906 1.00 0.00 H new ATOM 0 HB THR B 12 -10.326 -2.379 -17.319 1.00 0.00 H new ATOM 0 HG1 THR B 12 -10.517 -3.703 -19.354 1.00 0.00 H new ATOM 0 HG21 THR B 12 -9.078 -1.813 -19.371 1.00 0.00 H new ATOM 0 HG22 THR B 12 -8.036 -1.618 -17.941 1.00 0.00 H new ATOM 0 HG23 THR B 12 -7.857 -3.049 -18.984 1.00 0.00 H new ATOM 692 N ALA B 13 -8.551 -6.224 -16.429 1.00 0.00 N ATOM 693 CA ALA B 13 -7.901 -7.481 -16.758 1.00 0.00 C ATOM 694 C ALA B 13 -8.963 -8.518 -17.130 1.00 0.00 C ATOM 695 O ALA B 13 -10.087 -8.466 -16.633 1.00 0.00 O ATOM 696 CB ALA B 13 -7.033 -7.932 -15.581 1.00 0.00 C ATOM 0 H ALA B 13 -9.298 -6.298 -15.739 1.00 0.00 H new ATOM 0 HA ALA B 13 -7.244 -7.358 -17.619 1.00 0.00 H new ATOM 0 HB1 ALA B 13 -6.546 -8.875 -15.829 1.00 0.00 H new ATOM 0 HB2 ALA B 13 -6.276 -7.175 -15.376 1.00 0.00 H new ATOM 0 HB3 ALA B 13 -7.658 -8.067 -14.699 1.00 0.00 H new ATOM 702 N LEU B 14 -8.570 -9.436 -18.002 1.00 0.00 N ATOM 703 CA LEU B 14 -9.474 -10.482 -18.446 1.00 0.00 C ATOM 704 C LEU B 14 -8.687 -11.780 -18.640 1.00 0.00 C ATOM 705 O LEU B 14 -7.462 -11.790 -18.534 1.00 0.00 O ATOM 706 CB LEU B 14 -10.240 -10.034 -19.692 1.00 0.00 C ATOM 707 CG LEU B 14 -9.420 -9.916 -20.977 1.00 0.00 C ATOM 708 CD1 LEU B 14 -8.081 -9.227 -20.712 1.00 0.00 C ATOM 709 CD2 LEU B 14 -9.240 -11.283 -21.642 1.00 0.00 C ATOM 0 H LEU B 14 -7.637 -9.476 -18.412 1.00 0.00 H new ATOM 0 HA LEU B 14 -10.232 -10.679 -17.688 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -11.053 -10.738 -19.867 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -10.696 -9.066 -19.485 1.00 0.00 H new ATOM 0 HG LEU B 14 -9.972 -9.288 -21.677 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -7.518 -9.156 -21.643 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -8.258 -8.226 -20.318 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -7.511 -9.807 -19.986 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -8.653 -11.170 -22.554 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -8.722 -11.955 -20.958 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -10.217 -11.699 -21.889 1.00 0.00 H new ATOM 720 N ASN B 15 -9.424 -12.845 -18.923 1.00 0.00 N ATOM 721 CA ASN B 15 -8.811 -14.145 -19.133 1.00 0.00 C ATOM 722 C ASN B 15 -8.879 -14.500 -20.620 1.00 0.00 C ATOM 723 O ASN B 15 -9.897 -14.272 -21.271 1.00 0.00 O ATOM 724 CB ASN B 15 -9.550 -15.235 -18.352 1.00 0.00 C ATOM 725 CG ASN B 15 -8.755 -15.655 -17.114 1.00 0.00 C ATOM 726 OD1 ASN B 15 -8.576 -14.899 -16.174 1.00 0.00 O ATOM 727 ND2 ASN B 15 -8.291 -16.900 -17.167 1.00 0.00 N ATOM 0 H ASN B 15 -10.440 -12.833 -19.012 1.00 0.00 H new ATOM 0 HA ASN B 15 -7.778 -14.092 -18.788 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -10.532 -14.870 -18.052 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -9.714 -16.100 -18.994 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -7.748 -17.276 -16.389 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -8.478 -17.479 -17.985 1.00 0.00 H new ATOM 733 N THR B 16 -7.781 -15.055 -21.113 1.00 0.00 N ATOM 734 CA THR B 16 -7.702 -15.445 -22.511 1.00 0.00 C ATOM 735 C THR B 16 -7.162 -16.869 -22.637 1.00 0.00 C ATOM 736 O THR B 16 -5.952 -17.086 -22.580 1.00 0.00 O ATOM 737 CB THR B 16 -6.852 -14.404 -23.245 1.00 0.00 C ATOM 738 OG1 THR B 16 -7.781 -13.381 -23.594 1.00 0.00 O ATOM 739 CG2 THR B 16 -6.336 -14.915 -24.591 1.00 0.00 C ATOM 0 H THR B 16 -6.939 -15.244 -20.569 1.00 0.00 H new ATOM 0 HA THR B 16 -8.689 -15.464 -22.973 1.00 0.00 H new ATOM 0 HB THR B 16 -6.008 -14.116 -22.618 1.00 0.00 H new ATOM 0 HG1 THR B 16 -7.314 -12.664 -24.072 1.00 0.00 H new ATOM 0 HG21 THR B 16 -5.739 -14.139 -25.070 1.00 0.00 H new ATOM 0 HG22 THR B 16 -5.720 -15.800 -24.432 1.00 0.00 H new ATOM 0 HG23 THR B 16 -7.180 -15.171 -25.231 1.00 0.00 H new HETATM 747 N DPR B 17 -8.109 -17.829 -22.812 1.00 0.00 N HETATM 748 CA DPR B 17 -7.740 -19.228 -22.947 1.00 0.00 C HETATM 749 CB DPR B 17 -8.962 -19.902 -23.551 1.00 0.00 C HETATM 750 CG DPR B 17 -10.125 -18.955 -23.301 1.00 0.00 C HETATM 751 CD DPR B 17 -9.550 -17.611 -22.886 1.00 0.00 C HETATM 752 C DPR B 17 -7.338 -19.823 -21.596 1.00 0.00 C HETATM 753 O DPR B 17 -8.189 -20.066 -20.742 1.00 0.00 O HETATM 0 HG3 DPR B 17 -10.732 -18.849 -24.200 1.00 0.00 H new HETATM 0 HG2 DPR B 17 -10.777 -19.349 -22.521 1.00 0.00 H new HETATM 0 HD3 DPR B 17 -9.951 -17.289 -21.925 1.00 0.00 H new HETATM 0 HD2 DPR B 17 -9.796 -16.835 -23.611 1.00 0.00 H new HETATM 0 HB3 DPR B 17 -8.824 -20.078 -24.618 1.00 0.00 H new HETATM 0 HB2 DPR B 17 -9.142 -20.872 -23.088 1.00 0.00 H new HETATM 0 HA DPR B 17 -6.867 -19.372 -23.583 1.00 0.00 H new ATOM 761 N ALA B 18 -6.038 -20.039 -21.444 1.00 0.00 N ATOM 762 CA ALA B 18 -5.513 -20.599 -20.211 1.00 0.00 C ATOM 763 C ALA B 18 -4.464 -19.650 -19.630 1.00 0.00 C ATOM 764 O ALA B 18 -3.757 -20.000 -18.686 1.00 0.00 O ATOM 765 CB ALA B 18 -4.947 -21.994 -20.485 1.00 0.00 C ATOM 0 H ALA B 18 -5.335 -19.836 -22.154 1.00 0.00 H new ATOM 0 HA ALA B 18 -6.306 -20.707 -19.471 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -4.553 -22.415 -19.560 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -5.738 -22.639 -20.869 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -4.147 -21.924 -21.222 1.00 0.00 H new ATOM 771 N VAL B 19 -4.397 -18.464 -20.218 1.00 0.00 N ATOM 772 CA VAL B 19 -3.446 -17.460 -19.770 1.00 0.00 C ATOM 773 C VAL B 19 -4.206 -16.217 -19.301 1.00 0.00 C ATOM 774 O VAL B 19 -5.312 -15.949 -19.767 1.00 0.00 O ATOM 775 CB VAL B 19 -2.439 -17.160 -20.882 1.00 0.00 C ATOM 776 CG1 VAL B 19 -1.860 -18.452 -21.461 1.00 0.00 C ATOM 777 CG2 VAL B 19 -3.073 -16.303 -21.980 1.00 0.00 C ATOM 0 H VAL B 19 -4.985 -18.176 -21.000 1.00 0.00 H new ATOM 0 HA VAL B 19 -2.872 -17.830 -18.921 1.00 0.00 H new ATOM 0 HB VAL B 19 -1.618 -16.591 -20.445 1.00 0.00 H new ATOM 0 HG11 VAL B 19 -1.147 -18.210 -22.249 1.00 0.00 H new ATOM 0 HG12 VAL B 19 -1.354 -19.009 -20.673 1.00 0.00 H new ATOM 0 HG13 VAL B 19 -2.666 -19.059 -21.874 1.00 0.00 H new ATOM 0 HG21 VAL B 19 -2.336 -16.104 -22.758 1.00 0.00 H new ATOM 0 HG22 VAL B 19 -3.922 -16.834 -22.411 1.00 0.00 H new ATOM 0 HG23 VAL B 19 -3.414 -15.359 -21.554 1.00 0.00 H new ATOM 787 N GLN B 20 -3.583 -15.492 -18.384 1.00 0.00 N ATOM 788 CA GLN B 20 -4.187 -14.286 -17.846 1.00 0.00 C ATOM 789 C GLN B 20 -3.574 -13.048 -18.504 1.00 0.00 C ATOM 790 O GLN B 20 -2.402 -13.055 -18.878 1.00 0.00 O ATOM 791 CB GLN B 20 -4.038 -14.229 -16.324 1.00 0.00 C ATOM 792 CG GLN B 20 -2.567 -14.113 -15.921 1.00 0.00 C ATOM 793 CD GLN B 20 -2.174 -15.230 -14.953 1.00 0.00 C ATOM 794 OE1 GLN B 20 -1.863 -16.343 -15.343 1.00 0.00 O ATOM 795 NE2 GLN B 20 -2.204 -14.872 -13.673 1.00 0.00 N ATOM 0 H GLN B 20 -2.665 -15.717 -18.000 1.00 0.00 H new ATOM 0 HA GLN B 20 -5.253 -14.304 -18.072 1.00 0.00 H new ATOM 0 HB2 GLN B 20 -4.594 -13.377 -15.932 1.00 0.00 H new ATOM 0 HB3 GLN B 20 -4.471 -15.125 -15.879 1.00 0.00 H new ATOM 0 HG2 GLN B 20 -1.938 -14.159 -16.810 1.00 0.00 H new ATOM 0 HG3 GLN B 20 -2.389 -13.144 -15.455 1.00 0.00 H new ATOM 0 HE21 GLN B 20 -2.474 -13.923 -13.415 1.00 0.00 H new ATOM 0 HE22 GLN B 20 -1.957 -15.547 -12.949 1.00 0.00 H new ATOM 802 N LYS B 21 -4.393 -12.013 -18.624 1.00 0.00 N ATOM 803 CA LYS B 21 -3.946 -10.771 -19.230 1.00 0.00 C ATOM 804 C LYS B 21 -4.421 -9.593 -18.377 1.00 0.00 C ATOM 805 O LYS B 21 -5.604 -9.494 -18.052 1.00 0.00 O ATOM 806 CB LYS B 21 -4.397 -10.694 -20.690 1.00 0.00 C ATOM 807 CG LYS B 21 -3.201 -10.793 -21.640 1.00 0.00 C ATOM 808 CD LYS B 21 -3.645 -11.240 -23.034 1.00 0.00 C ATOM 809 CE LYS B 21 -2.443 -11.667 -23.880 1.00 0.00 C ATOM 810 NZ LYS B 21 -2.338 -10.825 -25.094 1.00 0.00 N ATOM 0 H LYS B 21 -5.364 -12.010 -18.312 1.00 0.00 H new ATOM 0 HA LYS B 21 -2.857 -10.729 -19.254 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -5.100 -11.500 -20.900 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -4.926 -9.757 -20.862 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -2.703 -9.826 -21.706 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -2.473 -11.500 -21.242 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -4.347 -12.069 -22.948 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -4.173 -10.426 -23.530 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -1.529 -11.583 -23.292 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -2.545 -12.714 -24.164 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -1.517 -11.128 -25.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -3.203 -10.925 -25.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -2.219 -9.830 -24.817 1.00 0.00 H new ATOM 819 N TRP B 22 -3.475 -8.729 -18.038 1.00 0.00 N ATOM 820 CA TRP B 22 -3.782 -7.562 -17.228 1.00 0.00 C ATOM 821 C TRP B 22 -3.335 -6.319 -18.002 1.00 0.00 C ATOM 822 O TRP B 22 -2.164 -6.194 -18.358 1.00 0.00 O ATOM 823 CB TRP B 22 -3.139 -7.669 -15.845 1.00 0.00 C ATOM 824 CG TRP B 22 -3.959 -8.476 -14.837 1.00 0.00 C ATOM 825 CD1 TRP B 22 -4.407 -9.733 -14.956 1.00 0.00 C ATOM 826 CD2 TRP B 22 -4.414 -8.027 -13.543 1.00 0.00 C ATOM 827 NE1 TRP B 22 -5.115 -10.126 -13.838 1.00 0.00 N ATOM 828 CE2 TRP B 22 -5.120 -9.055 -12.952 1.00 0.00 C ATOM 829 CE3 TRP B 22 -4.237 -6.792 -12.895 1.00 0.00 C ATOM 830 CZ2 TRP B 22 -5.703 -8.954 -11.684 1.00 0.00 C ATOM 831 CZ3 TRP B 22 -4.826 -6.707 -11.628 1.00 0.00 C ATOM 832 CH2 TRP B 22 -5.539 -7.733 -11.018 1.00 0.00 C ATOM 0 H TRP B 22 -2.495 -8.814 -18.310 1.00 0.00 H new ATOM 0 HA TRP B 22 -4.854 -7.491 -17.044 1.00 0.00 H new ATOM 0 HB2 TRP B 22 -2.156 -8.128 -15.948 1.00 0.00 H new ATOM 0 HB3 TRP B 22 -2.983 -6.665 -15.450 1.00 0.00 H new ATOM 0 HD1 TRP B 22 -4.236 -10.360 -15.818 1.00 0.00 H new ATOM 0 HE1 TRP B 22 -5.554 -11.035 -13.689 1.00 0.00 H new ATOM 0 HE3 TRP B 22 -3.690 -5.974 -13.339 1.00 0.00 H new ATOM 0 HZ2 TRP B 22 -6.250 -9.774 -11.243 1.00 0.00 H new ATOM 0 HZ3 TRP B 22 -4.719 -5.779 -11.086 1.00 0.00 H new ATOM 0 HH2 TRP B 22 -5.964 -7.589 -10.036 1.00 0.00 H new ATOM 842 N HIS B 23 -4.291 -5.433 -18.238 1.00 0.00 N ATOM 843 CA HIS B 23 -4.011 -4.205 -18.963 1.00 0.00 C ATOM 844 C HIS B 23 -4.215 -3.005 -18.037 1.00 0.00 C ATOM 845 O HIS B 23 -5.347 -2.593 -17.790 1.00 0.00 O ATOM 846 CB HIS B 23 -4.852 -4.122 -20.237 1.00 0.00 C ATOM 847 CG HIS B 23 -4.230 -3.286 -21.330 1.00 0.00 C ATOM 848 ND1 HIS B 23 -4.480 -3.504 -22.674 1.00 0.00 N ATOM 849 CD2 HIS B 23 -3.368 -2.230 -21.264 1.00 0.00 C ATOM 850 CE1 HIS B 23 -3.793 -2.614 -23.376 1.00 0.00 C ATOM 851 NE2 HIS B 23 -3.104 -1.827 -22.501 1.00 0.00 N ATOM 0 H HIS B 23 -5.261 -5.541 -17.940 1.00 0.00 H new ATOM 0 HA HIS B 23 -2.970 -4.198 -19.285 1.00 0.00 H new ATOM 0 HB2 HIS B 23 -5.020 -5.130 -20.616 1.00 0.00 H new ATOM 0 HB3 HIS B 23 -5.829 -3.708 -19.989 1.00 0.00 H new ATOM 0 HD2 HIS B 23 -2.969 -1.796 -20.359 1.00 0.00 H new ATOM 0 HE1 HIS B 23 -3.781 -2.527 -24.452 1.00 0.00 H new ATOM 0 HE2 HIS B 23 -2.487 -1.055 -22.755 1.00 0.00 H new ATOM 858 N PHE B 24 -3.101 -2.478 -17.549 1.00 0.00 N ATOM 859 CA PHE B 24 -3.144 -1.333 -16.655 1.00 0.00 C ATOM 860 C PHE B 24 -3.190 -0.022 -17.444 1.00 0.00 C ATOM 861 O PHE B 24 -2.389 0.187 -18.355 1.00 0.00 O ATOM 862 CB PHE B 24 -1.862 -1.367 -15.822 1.00 0.00 C ATOM 863 CG PHE B 24 -1.908 -2.349 -14.650 1.00 0.00 C ATOM 864 CD1 PHE B 24 -1.783 -3.684 -14.876 1.00 0.00 C ATOM 865 CD2 PHE B 24 -2.074 -1.887 -13.382 1.00 0.00 C ATOM 866 CE1 PHE B 24 -1.824 -4.597 -13.788 1.00 0.00 C ATOM 867 CE2 PHE B 24 -2.116 -2.798 -12.293 1.00 0.00 C ATOM 868 CZ PHE B 24 -1.991 -4.134 -12.521 1.00 0.00 C ATOM 0 H PHE B 24 -2.164 -2.823 -17.756 1.00 0.00 H new ATOM 0 HA PHE B 24 -4.036 -1.382 -16.031 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -1.026 -1.630 -16.471 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -1.664 -0.367 -15.437 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -1.652 -4.051 -15.883 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -2.174 -0.827 -13.203 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -1.723 -5.657 -13.967 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.247 -2.431 -11.286 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.025 -4.827 -11.694 1.00 0.00 H new ATOM 877 N VAL B 25 -4.137 0.825 -17.068 1.00 0.00 N ATOM 878 CA VAL B 25 -4.299 2.109 -17.729 1.00 0.00 C ATOM 879 C VAL B 25 -4.485 3.201 -16.674 1.00 0.00 C ATOM 880 O VAL B 25 -5.408 3.138 -15.866 1.00 0.00 O ATOM 881 CB VAL B 25 -5.455 2.040 -18.730 1.00 0.00 C ATOM 882 CG1 VAL B 25 -6.776 2.438 -18.068 1.00 0.00 C ATOM 883 CG2 VAL B 25 -5.172 2.910 -19.955 1.00 0.00 C ATOM 0 H VAL B 25 -4.800 0.647 -16.314 1.00 0.00 H new ATOM 0 HA VAL B 25 -3.406 2.360 -18.301 1.00 0.00 H new ATOM 0 HB VAL B 25 -5.546 1.007 -19.067 1.00 0.00 H new ATOM 0 HG11 VAL B 25 -7.582 2.381 -18.800 1.00 0.00 H new ATOM 0 HG12 VAL B 25 -6.988 1.759 -17.242 1.00 0.00 H new ATOM 0 HG13 VAL B 25 -6.701 3.458 -17.690 1.00 0.00 H new ATOM 0 HG21 VAL B 25 -6.009 2.843 -20.650 1.00 0.00 H new ATOM 0 HG22 VAL B 25 -5.042 3.946 -19.643 1.00 0.00 H new ATOM 0 HG23 VAL B 25 -4.263 2.562 -20.446 1.00 0.00 H new ATOM 893 N LEU B 26 -3.591 4.179 -16.717 1.00 0.00 N ATOM 894 CA LEU B 26 -3.645 5.283 -15.774 1.00 0.00 C ATOM 895 C LEU B 26 -3.161 6.561 -16.466 1.00 0.00 C ATOM 896 O LEU B 26 -2.006 6.955 -16.310 1.00 0.00 O ATOM 897 CB LEU B 26 -2.868 4.941 -14.502 1.00 0.00 C ATOM 898 CG LEU B 26 -3.449 5.485 -13.196 1.00 0.00 C ATOM 899 CD1 LEU B 26 -4.557 4.572 -12.666 1.00 0.00 C ATOM 900 CD2 LEU B 26 -2.347 5.709 -12.158 1.00 0.00 C ATOM 0 H LEU B 26 -2.826 4.229 -17.390 1.00 0.00 H new ATOM 0 HA LEU B 26 -4.671 5.461 -15.453 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -2.800 3.856 -14.422 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.851 5.318 -14.609 1.00 0.00 H new ATOM 0 HG LEU B 26 -3.902 6.455 -13.401 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -4.953 4.982 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -5.357 4.505 -13.403 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.151 3.578 -12.480 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -2.786 6.096 -11.239 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -1.845 4.764 -11.951 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -1.624 6.427 -12.545 1.00 0.00 H new HETATM 911 N DPR B 27 -4.093 7.188 -17.232 1.00 0.00 N HETATM 912 CA DPR B 27 -3.773 8.412 -17.946 1.00 0.00 C HETATM 913 CB DPR B 27 -5.119 9.025 -18.298 1.00 0.00 C HETATM 914 CG DPR B 27 -6.133 7.898 -18.181 1.00 0.00 C HETATM 915 CD DPR B 27 -5.470 6.750 -17.438 1.00 0.00 C HETATM 916 C DPR B 27 -2.909 8.121 -19.174 1.00 0.00 C HETATM 917 O DPR B 27 -3.365 7.479 -20.120 1.00 0.00 O HETATM 0 HG3 DPR B 27 -7.020 8.237 -17.646 1.00 0.00 H new HETATM 0 HG2 DPR B 27 -6.460 7.575 -19.169 1.00 0.00 H new HETATM 0 HD3 DPR B 27 -5.510 5.828 -18.018 1.00 0.00 H new HETATM 0 HD2 DPR B 27 -5.969 6.552 -16.489 1.00 0.00 H new HETATM 0 HB3 DPR B 27 -5.365 9.843 -17.621 1.00 0.00 H new HETATM 0 HB2 DPR B 27 -5.108 9.438 -19.307 1.00 0.00 H new HETATM 0 HA DPR B 27 -3.179 9.104 -17.349 1.00 0.00 H new ATOM 925 N GLY B 28 -1.678 8.606 -19.121 1.00 0.00 N ATOM 926 CA GLY B 28 -0.745 8.405 -20.216 1.00 0.00 C ATOM 927 C GLY B 28 0.186 7.225 -19.936 1.00 0.00 C ATOM 928 O GLY B 28 1.008 6.863 -20.777 1.00 0.00 O ATOM 0 H GLY B 28 -1.304 9.139 -18.335 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -1.296 8.226 -21.139 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -0.156 9.310 -20.366 1.00 0.00 H new ATOM 932 N TYR B 29 0.025 6.655 -18.750 1.00 0.00 N ATOM 933 CA TYR B 29 0.842 5.522 -18.348 1.00 0.00 C ATOM 934 C TYR B 29 0.055 4.215 -18.453 1.00 0.00 C ATOM 935 O TYR B 29 -0.896 3.997 -17.703 1.00 0.00 O ATOM 936 CB TYR B 29 1.209 5.767 -16.883 1.00 0.00 C ATOM 937 CG TYR B 29 2.307 6.813 -16.682 1.00 0.00 C ATOM 938 CD1 TYR B 29 2.164 8.075 -17.224 1.00 0.00 C ATOM 939 CD2 TYR B 29 3.440 6.497 -15.960 1.00 0.00 C ATOM 940 CE1 TYR B 29 3.197 9.061 -17.036 1.00 0.00 C ATOM 941 CE2 TYR B 29 4.473 7.483 -15.772 1.00 0.00 C ATOM 942 CZ TYR B 29 4.299 8.716 -16.320 1.00 0.00 C ATOM 943 OH TYR B 29 5.276 9.647 -16.142 1.00 0.00 O ATOM 0 H TYR B 29 -0.658 6.956 -18.055 1.00 0.00 H new ATOM 0 HA TYR B 29 1.719 5.433 -18.989 1.00 0.00 H new ATOM 0 HB2 TYR B 29 0.316 6.084 -16.344 1.00 0.00 H new ATOM 0 HB3 TYR B 29 1.532 4.826 -16.438 1.00 0.00 H new ATOM 0 HD1 TYR B 29 1.277 8.323 -17.789 1.00 0.00 H new ATOM 0 HD2 TYR B 29 3.552 5.510 -15.536 1.00 0.00 H new ATOM 0 HE1 TYR B 29 3.098 10.052 -17.455 1.00 0.00 H new ATOM 0 HE2 TYR B 29 5.365 7.249 -15.209 1.00 0.00 H new ATOM 0 HH TYR B 29 6.003 9.261 -15.610 1.00 0.00 H new ATOM 952 N LYS B 30 0.481 3.378 -19.387 1.00 0.00 N ATOM 953 CA LYS B 30 -0.172 2.098 -19.600 1.00 0.00 C ATOM 954 C LYS B 30 0.849 0.973 -19.422 1.00 0.00 C ATOM 955 O LYS B 30 1.874 0.946 -20.102 1.00 0.00 O ATOM 956 CB LYS B 30 -0.881 2.075 -20.955 1.00 0.00 C ATOM 957 CG LYS B 30 0.132 2.057 -22.102 1.00 0.00 C ATOM 958 CD LYS B 30 0.098 0.717 -22.841 1.00 0.00 C ATOM 959 CE LYS B 30 1.340 0.542 -23.716 1.00 0.00 C ATOM 960 NZ LYS B 30 1.125 1.153 -25.048 1.00 0.00 N ATOM 0 H LYS B 30 1.271 3.562 -20.005 1.00 0.00 H new ATOM 0 HA LYS B 30 -0.953 1.942 -18.856 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -1.524 1.197 -21.019 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -1.525 2.949 -21.047 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.087 2.866 -22.798 1.00 0.00 H new ATOM 0 HG3 LYS B 30 1.134 2.236 -21.711 1.00 0.00 H new ATOM 0 HD2 LYS B 30 0.039 -0.098 -22.120 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -0.798 0.661 -23.460 1.00 0.00 H new ATOM 0 HE2 LYS B 30 2.201 1.003 -23.232 1.00 0.00 H new ATOM 0 HE3 LYS B 30 1.567 -0.518 -23.828 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 1.977 1.026 -25.630 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 0.316 0.694 -25.514 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 0.930 2.169 -24.937 1.00 0.00 H new ATOM 969 N CYS B 31 0.536 0.072 -18.502 1.00 0.00 N ATOM 970 CA CYS B 31 1.414 -1.053 -18.225 1.00 0.00 C ATOM 971 C CYS B 31 0.722 -2.331 -18.701 1.00 0.00 C ATOM 972 O CYS B 31 -0.465 -2.532 -18.442 1.00 0.00 O ATOM 973 CB CYS B 31 1.792 -1.124 -16.745 1.00 0.00 C ATOM 974 SG CYS B 31 2.814 -2.571 -16.283 1.00 0.00 S ATOM 0 H CYS B 31 -0.314 0.098 -17.939 1.00 0.00 H new ATOM 0 HA CYS B 31 2.352 -0.928 -18.765 1.00 0.00 H new ATOM 0 HB2 CYS B 31 2.332 -0.215 -16.478 1.00 0.00 H new ATOM 0 HB3 CYS B 31 0.878 -1.138 -16.151 1.00 0.00 H new ATOM 978 N GLU B 32 1.491 -3.163 -19.387 1.00 0.00 N ATOM 979 CA GLU B 32 0.967 -4.416 -19.900 1.00 0.00 C ATOM 980 C GLU B 32 1.722 -5.599 -19.288 1.00 0.00 C ATOM 981 O GLU B 32 2.943 -5.691 -19.412 1.00 0.00 O ATOM 982 CB GLU B 32 1.034 -4.455 -21.429 1.00 0.00 C ATOM 983 CG GLU B 32 -0.332 -4.147 -22.045 1.00 0.00 C ATOM 984 CD GLU B 32 -1.060 -5.434 -22.436 1.00 0.00 C ATOM 985 OE1 GLU B 32 -0.772 -6.503 -21.877 1.00 0.00 O ATOM 986 OE2 GLU B 32 -1.954 -5.299 -23.355 1.00 0.00 O ATOM 0 H GLU B 32 2.474 -2.993 -19.600 1.00 0.00 H new ATOM 0 HA GLU B 32 -0.082 -4.492 -19.613 1.00 0.00 H new ATOM 0 HB2 GLU B 32 1.768 -3.731 -21.783 1.00 0.00 H new ATOM 0 HB3 GLU B 32 1.372 -5.438 -21.757 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -0.937 -3.584 -21.334 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -0.204 -3.516 -22.924 1.00 0.00 H new ATOM 992 N ILE B 33 0.964 -6.473 -18.641 1.00 0.00 N ATOM 993 CA ILE B 33 1.548 -7.645 -18.011 1.00 0.00 C ATOM 994 C ILE B 33 0.754 -8.887 -18.421 1.00 0.00 C ATOM 995 O ILE B 33 -0.465 -8.926 -18.273 1.00 0.00 O ATOM 996 CB ILE B 33 1.642 -7.448 -16.496 1.00 0.00 C ATOM 997 CG1 ILE B 33 0.268 -7.591 -15.839 1.00 0.00 C ATOM 998 CG2 ILE B 33 2.302 -6.109 -16.159 1.00 0.00 C ATOM 999 CD1 ILE B 33 0.384 -7.549 -14.313 1.00 0.00 C ATOM 0 H ILE B 33 -0.048 -6.393 -18.540 1.00 0.00 H new ATOM 0 HA ILE B 33 2.572 -7.792 -18.354 1.00 0.00 H new ATOM 0 HB ILE B 33 2.278 -8.233 -16.087 1.00 0.00 H new ATOM 0 HG12 ILE B 33 -0.387 -6.790 -16.180 1.00 0.00 H new ATOM 0 HG13 ILE B 33 -0.191 -8.531 -16.147 1.00 0.00 H new ATOM 0 HG21 ILE B 33 2.357 -5.993 -15.077 1.00 0.00 H new ATOM 0 HG22 ILE B 33 3.308 -6.083 -16.578 1.00 0.00 H new ATOM 0 HG23 ILE B 33 1.712 -5.296 -16.582 1.00 0.00 H new ATOM 0 HD11 ILE B 33 -0.606 -7.653 -13.870 1.00 0.00 H new ATOM 0 HD12 ILE B 33 1.021 -8.366 -13.974 1.00 0.00 H new ATOM 0 HD13 ILE B 33 0.821 -6.598 -14.007 1.00 0.00 H new ATOM 1010 N LEU B 34 1.480 -9.872 -18.929 1.00 0.00 N ATOM 1011 CA LEU B 34 0.859 -11.113 -19.360 1.00 0.00 C ATOM 1012 C LEU B 34 1.502 -12.287 -18.618 1.00 0.00 C ATOM 1013 O LEU B 34 2.717 -12.314 -18.425 1.00 0.00 O ATOM 1014 CB LEU B 34 0.922 -11.242 -20.884 1.00 0.00 C ATOM 1015 CG LEU B 34 2.319 -11.188 -21.505 1.00 0.00 C ATOM 1016 CD1 LEU B 34 2.397 -12.062 -22.757 1.00 0.00 C ATOM 1017 CD2 LEU B 34 2.738 -9.743 -21.788 1.00 0.00 C ATOM 0 H LEU B 34 2.492 -9.836 -19.052 1.00 0.00 H new ATOM 0 HA LEU B 34 -0.201 -11.116 -19.105 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.456 -12.185 -21.168 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.321 -10.445 -21.321 1.00 0.00 H new ATOM 0 HG LEU B 34 3.029 -11.594 -20.784 1.00 0.00 H new ATOM 0 HD11 LEU B 34 3.401 -12.005 -23.178 1.00 0.00 H new ATOM 0 HD12 LEU B 34 2.172 -13.096 -22.494 1.00 0.00 H new ATOM 0 HD13 LEU B 34 1.674 -11.709 -23.493 1.00 0.00 H new ATOM 0 HD21 LEU B 34 3.735 -9.733 -22.229 1.00 0.00 H new ATOM 0 HD22 LEU B 34 2.030 -9.288 -22.481 1.00 0.00 H new ATOM 0 HD23 LEU B 34 2.748 -9.178 -20.856 1.00 0.00 H new ATOM 1028 N ALA B 35 0.659 -13.226 -18.219 1.00 0.00 N ATOM 1029 CA ALA B 35 1.129 -14.400 -17.502 1.00 0.00 C ATOM 1030 C ALA B 35 0.254 -15.601 -17.865 1.00 0.00 C ATOM 1031 O ALA B 35 -0.835 -15.436 -18.415 1.00 0.00 O ATOM 1032 CB ALA B 35 1.131 -14.113 -15.999 1.00 0.00 C ATOM 0 H ALA B 35 -0.348 -13.199 -18.378 1.00 0.00 H new ATOM 0 HA ALA B 35 2.152 -14.640 -17.790 1.00 0.00 H new ATOM 0 HB1 ALA B 35 1.483 -14.993 -15.461 1.00 0.00 H new ATOM 0 HB2 ALA B 35 1.792 -13.271 -15.790 1.00 0.00 H new ATOM 0 HB3 ALA B 35 0.120 -13.870 -15.674 1.00 0.00 H new TER 1038 ALA B 35