USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 449 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 HIS : no HE2:sc= -20.8! C(o=-25!,f=-45!) USER MOD Set 1.2: A 51 MET CE :methyl 154:sc= -4.08! (180deg=-1.43!) USER MOD Set 2.1: A 40 SER OG : rot 180:sc= -0.665 USER MOD Set 2.2: A 43 THR OG1 : rot 136:sc= 0.323 USER MOD Single : A 19 GLN : amide:sc= -2.18 K(o=-2.2,f=-3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 165:sc= -0.829 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.411! USER MOD Single : A 30 ASN : amide:sc= -4.76! C(o=-4.8!,f=-9.5!) USER MOD Single : A 31 HIS : no HD1:sc= -0.313 K(o=-0.31,f=-1.2!) USER MOD Single : A 34 SER OG : rot 62:sc= -2.45! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0191 X(o=-0.019,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.112 K(o=0.11,f=-2.2!) USER MOD Single : A 52 MET CE :methyl -143:sc= -14! (180deg=-15.6!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc=-0.00159 X(o=-0.0016,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -2.71! C(o=-2.7!,f=-6.6!) USER MOD Single : A 66 CYS SG : rot 80:sc= -2.08 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot -78:sc= 1.06 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 15 9.666 -4.230 -6.276 1.00 0.00 N ATOM 2 CA LEU A 15 8.895 -5.258 -6.953 1.00 0.00 C ATOM 3 C LEU A 15 7.671 -5.615 -6.106 1.00 0.00 C ATOM 4 O LEU A 15 6.550 -5.240 -6.442 1.00 0.00 O ATOM 5 CB LEU A 15 9.782 -6.460 -7.287 1.00 0.00 C ATOM 6 CG LEU A 15 10.407 -6.463 -8.685 1.00 0.00 C ATOM 7 CD1 LEU A 15 9.327 -6.494 -9.769 1.00 0.00 C ATOM 8 CD2 LEU A 15 11.363 -5.282 -8.860 1.00 0.00 C ATOM 0 HA LEU A 15 8.524 -4.887 -7.909 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.585 -6.510 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.189 -7.367 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 15 10.997 -7.373 -8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.798 -6.496 -10.752 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.723 -7.394 -9.655 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.690 -5.615 -9.673 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.793 -5.307 -9.861 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.817 -4.349 -8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.161 -5.347 -8.120 1.00 0.00 H new ATOM 19 N ARG A 16 7.930 -6.333 -5.024 1.00 0.00 N ATOM 20 CA ARG A 16 6.864 -6.743 -4.126 1.00 0.00 C ATOM 21 C ARG A 16 6.092 -5.521 -3.625 1.00 0.00 C ATOM 22 O ARG A 16 4.871 -5.455 -3.757 1.00 0.00 O ATOM 23 CB ARG A 16 7.419 -7.514 -2.928 1.00 0.00 C ATOM 24 CG ARG A 16 6.299 -8.231 -2.171 1.00 0.00 C ATOM 25 CD ARG A 16 6.406 -9.748 -2.342 1.00 0.00 C ATOM 26 NE ARG A 16 6.191 -10.423 -1.041 1.00 0.00 N ATOM 27 CZ ARG A 16 6.235 -11.761 -0.867 1.00 0.00 C ATOM 28 NH1 ARG A 16 6.487 -12.579 -1.909 1.00 0.00 N ATOM 29 NH2 ARG A 16 6.029 -12.254 0.340 1.00 0.00 N ATOM 0 H ARG A 16 8.862 -6.642 -4.749 1.00 0.00 H new ATOM 0 HA ARG A 16 6.193 -7.396 -4.684 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.156 -8.241 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.935 -6.828 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.350 -7.976 -1.112 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.331 -7.888 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.668 -10.093 -3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.387 -10.009 -2.738 1.00 0.00 H new ATOM 0 HE ARG A 16 5.998 -9.841 -0.226 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.646 -12.188 -2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.518 -13.589 -1.769 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.840 -11.627 1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.058 -13.262 0.491 1.00 0.00 H new ATOM 39 N GLU A 17 6.836 -4.583 -3.057 1.00 0.00 N ATOM 40 CA GLU A 17 6.238 -3.365 -2.535 1.00 0.00 C ATOM 41 C GLU A 17 5.527 -2.602 -3.654 1.00 0.00 C ATOM 42 O GLU A 17 4.372 -2.204 -3.503 1.00 0.00 O ATOM 43 CB GLU A 17 7.288 -2.488 -1.854 1.00 0.00 C ATOM 44 CG GLU A 17 7.923 -3.215 -0.666 1.00 0.00 C ATOM 45 CD GLU A 17 9.192 -3.954 -1.092 1.00 0.00 C ATOM 46 OE1 GLU A 17 9.737 -3.681 -2.172 1.00 0.00 O ATOM 47 OE2 GLU A 17 9.613 -4.841 -0.256 1.00 0.00 O ATOM 0 H GLU A 17 7.848 -4.642 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 17 5.499 -3.639 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.060 -2.215 -2.573 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.827 -1.561 -1.513 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.162 -2.497 0.119 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.209 -3.923 -0.244 1.00 0.00 H new ATOM 53 N ARG A 18 6.246 -2.420 -4.753 1.00 0.00 N ATOM 54 CA ARG A 18 5.697 -1.711 -5.896 1.00 0.00 C ATOM 55 C ARG A 18 4.408 -2.384 -6.370 1.00 0.00 C ATOM 56 O ARG A 18 3.495 -1.714 -6.853 1.00 0.00 O ATOM 57 CB ARG A 18 6.700 -1.672 -7.052 1.00 0.00 C ATOM 58 CG ARG A 18 7.034 -0.231 -7.440 1.00 0.00 C ATOM 59 CD ARG A 18 8.413 -0.147 -8.100 1.00 0.00 C ATOM 60 NE ARG A 18 8.860 1.262 -8.158 1.00 0.00 N ATOM 61 CZ ARG A 18 10.005 1.669 -8.746 1.00 0.00 C ATOM 62 NH1 ARG A 18 10.829 0.774 -9.333 1.00 0.00 N ATOM 63 NH2 ARG A 18 10.306 2.954 -8.741 1.00 0.00 N ATOM 0 H ARG A 18 7.203 -2.751 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 18 5.482 -0.690 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.612 -2.196 -6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.288 -2.198 -7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.276 0.151 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.012 0.403 -6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.132 -0.742 -7.537 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.370 -0.566 -9.106 1.00 0.00 H new ATOM 0 HE ARG A 18 8.266 1.970 -7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.588 -0.217 -9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.692 1.089 -9.775 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.677 3.623 -8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.167 3.278 -9.181 1.00 0.00 H new ATOM 73 N GLN A 19 4.373 -3.699 -6.217 1.00 0.00 N ATOM 74 CA GLN A 19 3.211 -4.470 -6.622 1.00 0.00 C ATOM 75 C GLN A 19 1.989 -4.065 -5.793 1.00 0.00 C ATOM 76 O GLN A 19 0.928 -3.779 -6.343 1.00 0.00 O ATOM 77 CB GLN A 19 3.479 -5.972 -6.506 1.00 0.00 C ATOM 78 CG GLN A 19 2.874 -6.729 -7.689 1.00 0.00 C ATOM 79 CD GLN A 19 1.493 -6.178 -8.045 1.00 0.00 C ATOM 80 OE1 GLN A 19 1.353 -5.182 -8.736 1.00 0.00 O ATOM 81 NE2 GLN A 19 0.483 -6.878 -7.537 1.00 0.00 N ATOM 0 H GLN A 19 5.132 -4.251 -5.817 1.00 0.00 H new ATOM 0 HA GLN A 19 3.004 -4.252 -7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.553 -6.151 -6.466 1.00 0.00 H new ATOM 0 HB3 GLN A 19 3.058 -6.349 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.535 -6.649 -8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.795 -7.788 -7.445 1.00 0.00 H new ATOM 0 HE21 GLN A 19 0.670 -7.703 -6.966 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -0.479 -6.590 -7.718 1.00 0.00 H new ATOM 88 N VAL A 20 2.181 -4.057 -4.482 1.00 0.00 N ATOM 89 CA VAL A 20 1.108 -3.693 -3.571 1.00 0.00 C ATOM 90 C VAL A 20 0.796 -2.204 -3.728 1.00 0.00 C ATOM 91 O VAL A 20 -0.366 -1.820 -3.860 1.00 0.00 O ATOM 92 CB VAL A 20 1.486 -4.077 -2.139 1.00 0.00 C ATOM 93 CG1 VAL A 20 0.243 -4.173 -1.252 1.00 0.00 C ATOM 94 CG2 VAL A 20 2.281 -5.384 -2.113 1.00 0.00 C ATOM 0 H VAL A 20 3.063 -4.297 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 20 0.198 -4.243 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 20 2.124 -3.290 -1.738 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.539 -4.447 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.266 -3.209 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.431 -4.931 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.537 -5.634 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.679 -6.185 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.195 -5.266 -2.695 1.00 0.00 H new ATOM 104 N LEU A 21 1.852 -1.405 -3.710 1.00 0.00 N ATOM 105 CA LEU A 21 1.704 0.035 -3.849 1.00 0.00 C ATOM 106 C LEU A 21 0.885 0.340 -5.103 1.00 0.00 C ATOM 107 O LEU A 21 0.317 1.424 -5.230 1.00 0.00 O ATOM 108 CB LEU A 21 3.072 0.719 -3.825 1.00 0.00 C ATOM 109 CG LEU A 21 3.062 2.233 -3.602 1.00 0.00 C ATOM 110 CD1 LEU A 21 1.998 2.628 -2.578 1.00 0.00 C ATOM 111 CD2 LEU A 21 4.452 2.738 -3.211 1.00 0.00 C ATOM 0 H LEU A 21 2.814 -1.726 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 21 1.154 0.445 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.672 0.260 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.575 0.514 -4.770 1.00 0.00 H new ATOM 0 HG LEU A 21 2.798 2.716 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.012 3.709 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.016 2.321 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.207 2.136 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.418 3.817 -3.058 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.770 2.251 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.160 2.507 -4.007 1.00 0.00 H new ATOM 122 N LYS A 22 0.851 -0.635 -6.001 1.00 0.00 N ATOM 123 CA LYS A 22 0.112 -0.484 -7.242 1.00 0.00 C ATOM 124 C LYS A 22 -1.383 -0.652 -6.964 1.00 0.00 C ATOM 125 O LYS A 22 -2.185 0.216 -7.307 1.00 0.00 O ATOM 126 CB LYS A 22 0.650 -1.441 -8.307 1.00 0.00 C ATOM 127 CG LYS A 22 1.052 -0.682 -9.574 1.00 0.00 C ATOM 128 CD LYS A 22 2.408 0.002 -9.396 1.00 0.00 C ATOM 129 CE LYS A 22 3.381 -0.412 -10.504 1.00 0.00 C ATOM 130 NZ LYS A 22 3.244 0.483 -11.675 1.00 0.00 N ATOM 0 H LYS A 22 1.324 -1.532 -5.893 1.00 0.00 H new ATOM 0 HA LYS A 22 0.251 0.518 -7.648 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.511 -1.981 -7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.109 -2.185 -8.550 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.097 -1.372 -10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.293 0.063 -9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.278 1.084 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.826 -0.259 -8.424 1.00 0.00 H new ATOM 0 HE2 LYS A 22 4.404 -0.377 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.186 -1.442 -10.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.911 0.188 -12.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.272 0.429 -12.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.453 1.461 -11.391 1.00 0.00 H new ATOM 139 N LEU A 23 -1.714 -1.776 -6.345 1.00 0.00 N ATOM 140 CA LEU A 23 -3.099 -2.070 -6.016 1.00 0.00 C ATOM 141 C LEU A 23 -3.557 -1.148 -4.885 1.00 0.00 C ATOM 142 O LEU A 23 -4.660 -0.605 -4.929 1.00 0.00 O ATOM 143 CB LEU A 23 -3.272 -3.557 -5.704 1.00 0.00 C ATOM 144 CG LEU A 23 -2.382 -4.117 -4.593 1.00 0.00 C ATOM 145 CD1 LEU A 23 -3.027 -3.918 -3.221 1.00 0.00 C ATOM 146 CD2 LEU A 23 -2.035 -5.585 -4.855 1.00 0.00 C ATOM 0 H LEU A 23 -1.047 -2.494 -6.063 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.744 -1.870 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.313 -3.732 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.081 -4.124 -6.615 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.445 -3.559 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.374 -4.325 -2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.181 -2.854 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.987 -4.433 -3.192 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.402 -5.958 -4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.952 -6.173 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.504 -5.670 -5.803 1.00 0.00 H new ATOM 157 N ILE A 24 -2.686 -0.998 -3.897 1.00 0.00 N ATOM 158 CA ILE A 24 -2.988 -0.151 -2.756 1.00 0.00 C ATOM 159 C ILE A 24 -3.392 1.239 -3.251 1.00 0.00 C ATOM 160 O ILE A 24 -4.394 1.795 -2.802 1.00 0.00 O ATOM 161 CB ILE A 24 -1.814 -0.136 -1.774 1.00 0.00 C ATOM 162 CG1 ILE A 24 -2.295 -0.378 -0.342 1.00 0.00 C ATOM 163 CG2 ILE A 24 -1.010 1.159 -1.899 1.00 0.00 C ATOM 164 CD1 ILE A 24 -1.127 -0.757 0.572 1.00 0.00 C ATOM 0 H ILE A 24 -1.772 -1.449 -3.864 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.835 -0.551 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.143 -0.956 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.783 0.520 0.038 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.040 -1.173 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.182 1.143 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.618 1.248 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.656 2.010 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.496 -0.924 1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.657 -1.668 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.395 0.051 0.581 1.00 0.00 H new ATOM 175 N ASP A 25 -2.593 1.762 -4.169 1.00 0.00 N ATOM 176 CA ASP A 25 -2.855 3.076 -4.730 1.00 0.00 C ATOM 177 C ASP A 25 -4.264 3.100 -5.327 1.00 0.00 C ATOM 178 O ASP A 25 -4.971 4.101 -5.219 1.00 0.00 O ATOM 179 CB ASP A 25 -1.864 3.406 -5.847 1.00 0.00 C ATOM 180 CG ASP A 25 -2.345 4.459 -6.849 1.00 0.00 C ATOM 181 OD1 ASP A 25 -3.204 4.186 -7.699 1.00 0.00 O ATOM 182 OD2 ASP A 25 -1.790 5.618 -6.729 1.00 0.00 O ATOM 0 H ASP A 25 -1.763 1.299 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.754 3.809 -3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.934 3.753 -5.396 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.633 2.489 -6.389 1.00 0.00 H new ATOM 187 N GLU A 26 -4.630 1.986 -5.941 1.00 0.00 N ATOM 188 CA GLU A 26 -5.942 1.865 -6.555 1.00 0.00 C ATOM 189 C GLU A 26 -6.956 1.332 -5.539 1.00 0.00 C ATOM 190 O GLU A 26 -7.962 0.734 -5.918 1.00 0.00 O ATOM 191 CB GLU A 26 -5.888 0.971 -7.796 1.00 0.00 C ATOM 192 CG GLU A 26 -6.287 1.751 -9.051 1.00 0.00 C ATOM 193 CD GLU A 26 -5.688 1.113 -10.305 1.00 0.00 C ATOM 194 OE1 GLU A 26 -4.495 1.303 -10.588 1.00 0.00 O ATOM 195 OE2 GLU A 26 -6.507 0.397 -10.998 1.00 0.00 O ATOM 0 H GLU A 26 -4.041 1.158 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.264 2.856 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.881 0.571 -7.917 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.556 0.120 -7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.373 1.779 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.947 2.783 -8.966 1.00 0.00 H new ATOM 201 N GLY A 27 -6.656 1.569 -4.271 1.00 0.00 N ATOM 202 CA GLY A 27 -7.529 1.121 -3.199 1.00 0.00 C ATOM 203 C GLY A 27 -7.345 -0.375 -2.932 1.00 0.00 C ATOM 204 O GLY A 27 -7.405 -1.186 -3.855 1.00 0.00 O ATOM 0 H GLY A 27 -5.821 2.066 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.315 1.685 -2.291 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.567 1.322 -3.462 1.00 0.00 H new ATOM 208 N TYR A 28 -7.127 -0.695 -1.666 1.00 0.00 N ATOM 209 CA TYR A 28 -6.934 -2.078 -1.266 1.00 0.00 C ATOM 210 C TYR A 28 -6.375 -2.165 0.157 1.00 0.00 C ATOM 211 O TYR A 28 -5.176 -2.369 0.344 1.00 0.00 O ATOM 212 CB TYR A 28 -5.909 -2.660 -2.241 1.00 0.00 C ATOM 213 CG TYR A 28 -6.475 -3.736 -3.169 1.00 0.00 C ATOM 214 CD1 TYR A 28 -6.988 -4.903 -2.642 1.00 0.00 C ATOM 215 CD2 TYR A 28 -6.472 -3.538 -4.536 1.00 0.00 C ATOM 216 CE1 TYR A 28 -7.522 -5.915 -3.517 1.00 0.00 C ATOM 217 CE2 TYR A 28 -7.004 -4.550 -5.410 1.00 0.00 C ATOM 218 CZ TYR A 28 -7.504 -5.689 -4.858 1.00 0.00 C ATOM 219 OH TYR A 28 -8.006 -6.646 -5.684 1.00 0.00 O ATOM 0 H TYR A 28 -7.080 -0.020 -0.903 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.881 -2.618 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.499 -1.852 -2.846 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.081 -3.084 -1.672 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.989 -5.058 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.071 -2.624 -4.949 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.928 -6.833 -3.117 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -7.006 -4.409 -6.481 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.150 -6.266 -6.576 1.00 0.00 H new ATOM 228 N THR A 29 -7.269 -2.006 1.121 1.00 0.00 N ATOM 229 CA THR A 29 -6.880 -2.066 2.519 1.00 0.00 C ATOM 230 C THR A 29 -5.904 -3.220 2.753 1.00 0.00 C ATOM 231 O THR A 29 -4.699 -3.067 2.565 1.00 0.00 O ATOM 232 CB THR A 29 -8.154 -2.165 3.361 1.00 0.00 C ATOM 233 OG1 THR A 29 -8.752 -3.389 2.941 1.00 0.00 O ATOM 234 CG2 THR A 29 -9.188 -1.099 2.988 1.00 0.00 C ATOM 0 H THR A 29 -8.262 -1.836 0.961 1.00 0.00 H new ATOM 0 HA THR A 29 -6.345 -1.165 2.819 1.00 0.00 H new ATOM 0 HB THR A 29 -7.900 -2.070 4.417 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.584 -3.534 3.438 1.00 0.00 H new ATOM 0 HG21 THR A 29 -10.072 -1.214 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.761 -0.108 3.142 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.468 -1.215 1.941 1.00 0.00 H new ATOM 242 N ASN A 30 -6.463 -4.351 3.161 1.00 0.00 N ATOM 243 CA ASN A 30 -5.658 -5.532 3.424 1.00 0.00 C ATOM 244 C ASN A 30 -6.410 -6.774 2.947 1.00 0.00 C ATOM 245 O ASN A 30 -5.902 -7.535 2.125 1.00 0.00 O ATOM 246 CB ASN A 30 -5.385 -5.689 4.921 1.00 0.00 C ATOM 247 CG ASN A 30 -3.946 -5.296 5.261 1.00 0.00 C ATOM 248 OD1 ASN A 30 -3.123 -5.041 4.395 1.00 0.00 O ATOM 249 ND2 ASN A 30 -3.689 -5.259 6.564 1.00 0.00 N ATOM 0 H ASN A 30 -7.464 -4.474 3.316 1.00 0.00 H new ATOM 0 HA ASN A 30 -4.712 -5.420 2.895 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.079 -5.068 5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.564 -6.722 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.757 -5.006 6.893 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.423 -5.484 7.235 1.00 0.00 H new ATOM 255 N HIS A 31 -7.612 -6.940 3.480 1.00 0.00 N ATOM 256 CA HIS A 31 -8.440 -8.078 3.118 1.00 0.00 C ATOM 257 C HIS A 31 -8.426 -8.261 1.599 1.00 0.00 C ATOM 258 O HIS A 31 -8.539 -9.382 1.105 1.00 0.00 O ATOM 259 CB HIS A 31 -9.854 -7.922 3.683 1.00 0.00 C ATOM 260 CG HIS A 31 -10.860 -7.400 2.685 1.00 0.00 C ATOM 261 ND1 HIS A 31 -11.412 -8.192 1.692 1.00 0.00 N ATOM 262 CD2 HIS A 31 -11.408 -6.160 2.536 1.00 0.00 C ATOM 263 CE1 HIS A 31 -12.252 -7.452 0.985 1.00 0.00 C ATOM 264 NE2 HIS A 31 -12.248 -6.193 1.509 1.00 0.00 N ATOM 0 H HIS A 31 -8.032 -6.306 4.159 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.031 -8.986 3.562 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.194 -8.888 4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.820 -7.246 4.537 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.195 -5.297 3.150 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.838 -7.787 0.141 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.800 -5.406 1.168 1.00 0.00 H new ATOM 271 N GLY A 32 -8.287 -7.143 0.901 1.00 0.00 N ATOM 272 CA GLY A 32 -8.256 -7.167 -0.551 1.00 0.00 C ATOM 273 C GLY A 32 -6.875 -7.584 -1.063 1.00 0.00 C ATOM 274 O GLY A 32 -6.770 -8.351 -2.019 1.00 0.00 O ATOM 0 H GLY A 32 -8.195 -6.215 1.314 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.010 -7.860 -0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.510 -6.181 -0.940 1.00 0.00 H new ATOM 278 N ILE A 33 -5.851 -7.059 -0.405 1.00 0.00 N ATOM 279 CA ILE A 33 -4.483 -7.367 -0.783 1.00 0.00 C ATOM 280 C ILE A 33 -4.224 -8.859 -0.572 1.00 0.00 C ATOM 281 O ILE A 33 -3.349 -9.438 -1.215 1.00 0.00 O ATOM 282 CB ILE A 33 -3.504 -6.461 -0.032 1.00 0.00 C ATOM 283 CG1 ILE A 33 -3.927 -4.995 -0.133 1.00 0.00 C ATOM 284 CG2 ILE A 33 -2.071 -6.678 -0.522 1.00 0.00 C ATOM 285 CD1 ILE A 33 -2.735 -4.062 0.093 1.00 0.00 C ATOM 0 H ILE A 33 -5.942 -6.423 0.387 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.325 -7.162 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.529 -6.732 1.024 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.361 -4.805 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.702 -4.785 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.395 -6.022 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.783 -7.716 -0.357 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.012 -6.450 -1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.064 -3.026 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.319 -4.237 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.972 -4.257 -0.660 1.00 0.00 H new ATOM 296 N SER A 34 -5.000 -9.440 0.331 1.00 0.00 N ATOM 297 CA SER A 34 -4.866 -10.855 0.633 1.00 0.00 C ATOM 298 C SER A 34 -5.433 -11.693 -0.514 1.00 0.00 C ATOM 299 O SER A 34 -4.760 -12.586 -1.028 1.00 0.00 O ATOM 300 CB SER A 34 -5.570 -11.208 1.946 1.00 0.00 C ATOM 301 OG SER A 34 -6.645 -10.315 2.231 1.00 0.00 O ATOM 0 H SER A 34 -5.724 -8.957 0.863 1.00 0.00 H new ATOM 0 HA SER A 34 -3.806 -11.079 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.950 -12.228 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.849 -11.180 2.763 1.00 0.00 H new ATOM 0 HG SER A 34 -7.317 -10.374 1.520 1.00 0.00 H new ATOM 306 N GLU A 35 -6.665 -11.374 -0.882 1.00 0.00 N ATOM 307 CA GLU A 35 -7.331 -12.087 -1.961 1.00 0.00 C ATOM 308 C GLU A 35 -6.637 -11.800 -3.294 1.00 0.00 C ATOM 309 O GLU A 35 -6.806 -12.545 -4.258 1.00 0.00 O ATOM 310 CB GLU A 35 -8.815 -11.720 -2.025 1.00 0.00 C ATOM 311 CG GLU A 35 -9.685 -12.975 -2.122 1.00 0.00 C ATOM 312 CD GLU A 35 -10.716 -12.841 -3.246 1.00 0.00 C ATOM 313 OE1 GLU A 35 -10.361 -12.951 -4.428 1.00 0.00 O ATOM 314 OE2 GLU A 35 -11.924 -12.614 -2.854 1.00 0.00 O ATOM 0 H GLU A 35 -7.220 -10.633 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.263 -13.156 -1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.091 -11.149 -1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.998 -11.078 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.055 -13.846 -2.303 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.195 -13.143 -1.173 1.00 0.00 H new ATOM 320 N LYS A 36 -5.871 -10.720 -3.306 1.00 0.00 N ATOM 321 CA LYS A 36 -5.150 -10.325 -4.504 1.00 0.00 C ATOM 322 C LYS A 36 -3.744 -10.929 -4.471 1.00 0.00 C ATOM 323 O LYS A 36 -3.345 -11.634 -5.396 1.00 0.00 O ATOM 324 CB LYS A 36 -5.164 -8.804 -4.663 1.00 0.00 C ATOM 325 CG LYS A 36 -4.493 -8.384 -5.972 1.00 0.00 C ATOM 326 CD LYS A 36 -4.864 -6.945 -6.341 1.00 0.00 C ATOM 327 CE LYS A 36 -4.247 -6.547 -7.682 1.00 0.00 C ATOM 328 NZ LYS A 36 -5.142 -6.929 -8.798 1.00 0.00 N ATOM 0 H LYS A 36 -5.734 -10.105 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.645 -10.718 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.192 -8.442 -4.645 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.648 -8.342 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.411 -8.471 -5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.796 -9.058 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.948 -6.847 -6.392 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.519 -6.265 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.069 -5.472 -7.702 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.279 -7.033 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.708 -6.652 -9.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.291 -7.958 -8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.057 -6.446 -8.690 1.00 0.00 H new ATOM 337 N LEU A 37 -3.032 -10.628 -3.394 1.00 0.00 N ATOM 338 CA LEU A 37 -1.679 -11.132 -3.228 1.00 0.00 C ATOM 339 C LEU A 37 -1.706 -12.366 -2.325 1.00 0.00 C ATOM 340 O LEU A 37 -0.759 -12.618 -1.582 1.00 0.00 O ATOM 341 CB LEU A 37 -0.754 -10.022 -2.724 1.00 0.00 C ATOM 342 CG LEU A 37 -0.088 -9.164 -3.801 1.00 0.00 C ATOM 343 CD1 LEU A 37 -1.104 -8.721 -4.856 1.00 0.00 C ATOM 344 CD2 LEU A 37 0.649 -7.975 -3.180 1.00 0.00 C ATOM 0 H LEU A 37 -3.366 -10.042 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.269 -11.448 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.329 -9.367 -2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.027 -10.476 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 37 0.658 -9.775 -4.309 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.604 -8.113 -5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.542 -9.599 -5.331 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.891 -8.135 -4.380 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.113 -7.382 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.059 -7.356 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.419 -8.339 -2.499 1.00 0.00 H new ATOM 355 N HIS A 38 -2.804 -13.104 -2.417 1.00 0.00 N ATOM 356 CA HIS A 38 -2.967 -14.306 -1.619 1.00 0.00 C ATOM 357 C HIS A 38 -2.915 -13.946 -0.131 1.00 0.00 C ATOM 358 O HIS A 38 -2.128 -13.094 0.277 1.00 0.00 O ATOM 359 CB HIS A 38 -1.931 -15.362 -2.007 1.00 0.00 C ATOM 360 CG HIS A 38 -2.151 -15.965 -3.375 1.00 0.00 C ATOM 361 ND1 HIS A 38 -2.296 -17.326 -3.580 1.00 0.00 N ATOM 362 CD2 HIS A 38 -2.253 -15.378 -4.602 1.00 0.00 C ATOM 363 CE1 HIS A 38 -2.474 -17.538 -4.876 1.00 0.00 C ATOM 364 NE2 HIS A 38 -2.447 -16.329 -5.507 1.00 0.00 N ATOM 0 H HIS A 38 -3.589 -12.891 -3.033 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.943 -14.747 -1.818 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.939 -14.912 -1.975 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.944 -16.159 -1.264 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -2.187 -14.319 -4.803 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -2.615 -18.499 -5.349 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -2.558 -16.180 -6.510 1.00 0.00 H new ATOM 371 N ILE A 39 -3.765 -14.613 0.636 1.00 0.00 N ATOM 372 CA ILE A 39 -3.827 -14.373 2.066 1.00 0.00 C ATOM 373 C ILE A 39 -2.415 -14.118 2.598 1.00 0.00 C ATOM 374 O ILE A 39 -1.543 -14.978 2.493 1.00 0.00 O ATOM 375 CB ILE A 39 -4.550 -15.523 2.771 1.00 0.00 C ATOM 376 CG1 ILE A 39 -6.001 -15.631 2.296 1.00 0.00 C ATOM 377 CG2 ILE A 39 -4.454 -15.381 4.292 1.00 0.00 C ATOM 378 CD1 ILE A 39 -6.131 -16.654 1.166 1.00 0.00 C ATOM 0 H ILE A 39 -4.416 -15.319 0.293 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.414 -13.479 2.277 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.053 -16.455 2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.640 -15.921 3.130 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.349 -14.657 1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.976 -16.211 4.769 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.406 -15.390 4.593 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.911 -14.440 4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.171 -16.712 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.509 -16.348 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.805 -17.632 1.521 1.00 0.00 H new ATOM 389 N SER A 40 -2.234 -12.929 3.157 1.00 0.00 N ATOM 390 CA SER A 40 -0.944 -12.548 3.704 1.00 0.00 C ATOM 391 C SER A 40 -1.016 -11.133 4.280 1.00 0.00 C ATOM 392 O SER A 40 -0.119 -10.322 4.058 1.00 0.00 O ATOM 393 CB SER A 40 0.152 -12.633 2.641 1.00 0.00 C ATOM 394 OG SER A 40 1.329 -13.268 3.135 1.00 0.00 O ATOM 0 H SER A 40 -2.960 -12.218 3.242 1.00 0.00 H new ATOM 0 HA SER A 40 -0.693 -13.246 4.503 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.222 -13.184 1.778 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.400 -11.629 2.295 1.00 0.00 H new ATOM 0 HG SER A 40 2.004 -13.304 2.425 1.00 0.00 H new ATOM 399 N ILE A 41 -2.094 -10.880 5.009 1.00 0.00 N ATOM 400 CA ILE A 41 -2.296 -9.575 5.617 1.00 0.00 C ATOM 401 C ILE A 41 -1.055 -9.201 6.432 1.00 0.00 C ATOM 402 O ILE A 41 -0.634 -8.045 6.431 1.00 0.00 O ATOM 403 CB ILE A 41 -3.591 -9.558 6.429 1.00 0.00 C ATOM 404 CG1 ILE A 41 -4.804 -9.815 5.531 1.00 0.00 C ATOM 405 CG2 ILE A 41 -3.729 -8.254 7.216 1.00 0.00 C ATOM 406 CD1 ILE A 41 -4.673 -9.065 4.204 1.00 0.00 C ATOM 0 H ILE A 41 -2.836 -11.556 5.192 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.418 -8.811 4.849 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.548 -10.369 7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.900 -10.884 5.341 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.713 -9.500 6.043 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.659 -8.269 7.785 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.887 -8.151 7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.740 -7.411 6.525 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.548 -9.265 3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.602 -7.995 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.776 -9.400 3.683 1.00 0.00 H new ATOM 417 N LYS A 42 -0.506 -10.200 7.107 1.00 0.00 N ATOM 418 CA LYS A 42 0.677 -9.990 7.924 1.00 0.00 C ATOM 419 C LYS A 42 1.842 -9.567 7.028 1.00 0.00 C ATOM 420 O LYS A 42 2.568 -8.627 7.349 1.00 0.00 O ATOM 421 CB LYS A 42 0.971 -11.229 8.771 1.00 0.00 C ATOM 422 CG LYS A 42 1.079 -10.868 10.253 1.00 0.00 C ATOM 423 CD LYS A 42 -0.305 -10.655 10.869 1.00 0.00 C ATOM 424 CE LYS A 42 -0.216 -9.811 12.142 1.00 0.00 C ATOM 425 NZ LYS A 42 -1.503 -9.129 12.404 1.00 0.00 N ATOM 0 H LYS A 42 -0.859 -11.157 7.105 1.00 0.00 H new ATOM 0 HA LYS A 42 0.510 -9.180 8.634 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.181 -11.966 8.630 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.901 -11.690 8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.600 -11.662 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.675 -9.963 10.368 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.956 -10.162 10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.757 -11.620 11.099 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.045 -10.446 12.989 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.579 -9.073 12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.424 -8.561 13.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.736 -8.508 11.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.254 -9.839 12.522 1.00 0.00 H new ATOM 434 N THR A 43 1.985 -10.281 5.921 1.00 0.00 N ATOM 435 CA THR A 43 3.050 -9.991 4.976 1.00 0.00 C ATOM 436 C THR A 43 3.024 -8.513 4.581 1.00 0.00 C ATOM 437 O THR A 43 4.073 -7.904 4.377 1.00 0.00 O ATOM 438 CB THR A 43 2.897 -10.942 3.787 1.00 0.00 C ATOM 439 OG1 THR A 43 3.709 -12.061 4.130 1.00 0.00 O ATOM 440 CG2 THR A 43 3.541 -10.392 2.512 1.00 0.00 C ATOM 0 H THR A 43 1.381 -11.060 5.657 1.00 0.00 H new ATOM 0 HA THR A 43 4.031 -10.158 5.420 1.00 0.00 H new ATOM 0 HB THR A 43 1.839 -11.131 3.608 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.225 -12.890 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.404 -11.105 1.699 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.072 -9.445 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.606 -10.234 2.681 1.00 0.00 H new ATOM 448 N VAL A 44 1.816 -7.981 4.485 1.00 0.00 N ATOM 449 CA VAL A 44 1.640 -6.586 4.117 1.00 0.00 C ATOM 450 C VAL A 44 2.236 -5.696 5.210 1.00 0.00 C ATOM 451 O VAL A 44 2.842 -4.667 4.916 1.00 0.00 O ATOM 452 CB VAL A 44 0.162 -6.297 3.851 1.00 0.00 C ATOM 453 CG1 VAL A 44 -0.093 -4.792 3.745 1.00 0.00 C ATOM 454 CG2 VAL A 44 -0.321 -7.024 2.594 1.00 0.00 C ATOM 0 H VAL A 44 0.949 -8.490 4.655 1.00 0.00 H new ATOM 0 HA VAL A 44 2.172 -6.365 3.191 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.410 -6.675 4.698 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.152 -4.615 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.195 -4.308 4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.496 -4.380 2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.375 -6.802 2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.260 -6.690 1.735 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -0.193 -8.099 2.723 1.00 0.00 H new ATOM 464 N GLU A 45 2.043 -6.125 6.449 1.00 0.00 N ATOM 465 CA GLU A 45 2.553 -5.381 7.586 1.00 0.00 C ATOM 466 C GLU A 45 4.038 -5.068 7.393 1.00 0.00 C ATOM 467 O GLU A 45 4.469 -3.935 7.600 1.00 0.00 O ATOM 468 CB GLU A 45 2.320 -6.146 8.891 1.00 0.00 C ATOM 469 CG GLU A 45 2.203 -5.184 10.077 1.00 0.00 C ATOM 470 CD GLU A 45 1.357 -5.793 11.196 1.00 0.00 C ATOM 471 OE1 GLU A 45 1.904 -6.424 12.114 1.00 0.00 O ATOM 472 OE2 GLU A 45 0.087 -5.594 11.090 1.00 0.00 O ATOM 0 H GLU A 45 1.540 -6.979 6.689 1.00 0.00 H new ATOM 0 HA GLU A 45 2.008 -4.439 7.652 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.411 -6.742 8.810 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.142 -6.841 9.061 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.197 -4.946 10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.755 -4.247 9.747 1.00 0.00 H new ATOM 478 N THR A 46 4.780 -6.092 6.998 1.00 0.00 N ATOM 479 CA THR A 46 6.208 -5.941 6.775 1.00 0.00 C ATOM 480 C THR A 46 6.466 -5.228 5.447 1.00 0.00 C ATOM 481 O THR A 46 7.277 -4.305 5.380 1.00 0.00 O ATOM 482 CB THR A 46 6.848 -7.328 6.856 1.00 0.00 C ATOM 483 OG1 THR A 46 6.879 -7.616 8.251 1.00 0.00 O ATOM 484 CG2 THR A 46 8.322 -7.316 6.446 1.00 0.00 C ATOM 0 H THR A 46 4.419 -7.030 6.826 1.00 0.00 H new ATOM 0 HA THR A 46 6.665 -5.312 7.539 1.00 0.00 H new ATOM 0 HB THR A 46 6.298 -8.019 6.217 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.278 -8.500 8.394 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.729 -8.324 6.521 1.00 0.00 H new ATOM 0 HG22 THR A 46 8.411 -6.964 5.418 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.878 -6.650 7.106 1.00 0.00 H new ATOM 492 N HIS A 47 5.762 -5.683 4.421 1.00 0.00 N ATOM 493 CA HIS A 47 5.906 -5.100 3.097 1.00 0.00 C ATOM 494 C HIS A 47 5.728 -3.582 3.182 1.00 0.00 C ATOM 495 O HIS A 47 6.466 -2.831 2.548 1.00 0.00 O ATOM 496 CB HIS A 47 4.940 -5.755 2.107 1.00 0.00 C ATOM 497 CG HIS A 47 3.863 -4.829 1.596 1.00 0.00 C ATOM 498 ND1 HIS A 47 2.880 -4.298 2.411 1.00 0.00 N ATOM 499 CD2 HIS A 47 3.628 -4.343 0.343 1.00 0.00 C ATOM 500 CE1 HIS A 47 2.092 -3.532 1.673 1.00 0.00 C ATOM 501 NE2 HIS A 47 2.557 -3.560 0.391 1.00 0.00 N ATOM 0 H HIS A 47 5.090 -6.448 4.479 1.00 0.00 H new ATOM 0 HA HIS A 47 6.910 -5.293 2.718 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.509 -6.137 1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.469 -6.613 2.588 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.779 -4.468 3.412 1.00 0.00 H new ATOM 0 HD2 HIS A 47 4.214 -4.559 -0.538 1.00 0.00 H new ATOM 0 HE1 HIS A 47 1.232 -2.981 2.024 1.00 0.00 H new ATOM 508 N ARG A 48 4.745 -3.177 3.973 1.00 0.00 N ATOM 509 CA ARG A 48 4.461 -1.764 4.149 1.00 0.00 C ATOM 510 C ARG A 48 5.695 -1.039 4.693 1.00 0.00 C ATOM 511 O ARG A 48 6.180 -0.088 4.081 1.00 0.00 O ATOM 512 CB ARG A 48 3.289 -1.553 5.111 1.00 0.00 C ATOM 513 CG ARG A 48 2.955 -0.066 5.250 1.00 0.00 C ATOM 514 CD ARG A 48 2.511 0.264 6.675 1.00 0.00 C ATOM 515 NE ARG A 48 1.387 -0.614 7.073 1.00 0.00 N ATOM 516 CZ ARG A 48 1.528 -1.741 7.802 1.00 0.00 C ATOM 517 NH1 ARG A 48 2.749 -2.138 8.220 1.00 0.00 N ATOM 518 NH2 ARG A 48 0.455 -2.450 8.097 1.00 0.00 N ATOM 0 H ARG A 48 4.136 -3.803 4.499 1.00 0.00 H new ATOM 0 HA ARG A 48 4.194 -1.355 3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.415 -2.094 4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.537 -1.967 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.828 0.533 4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.165 0.200 4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 48 3.346 0.134 7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.206 1.309 6.737 1.00 0.00 H new ATOM 0 HE ARG A 48 0.447 -0.350 6.778 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.573 -1.585 7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.847 -2.991 8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.463 -2.144 7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.544 -3.304 8.647 1.00 0.00 H new ATOM 528 N MET A 49 6.165 -1.516 5.836 1.00 0.00 N ATOM 529 CA MET A 49 7.331 -0.925 6.469 1.00 0.00 C ATOM 530 C MET A 49 8.404 -0.583 5.432 1.00 0.00 C ATOM 531 O MET A 49 9.166 0.365 5.613 1.00 0.00 O ATOM 532 CB MET A 49 7.908 -1.904 7.495 1.00 0.00 C ATOM 533 CG MET A 49 7.641 -1.422 8.921 1.00 0.00 C ATOM 534 SD MET A 49 7.023 -2.769 9.916 1.00 0.00 S ATOM 535 CE MET A 49 5.649 -1.958 10.716 1.00 0.00 C ATOM 0 H MET A 49 5.760 -2.305 6.340 1.00 0.00 H new ATOM 0 HA MET A 49 7.023 -0.004 6.965 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.466 -2.890 7.351 1.00 0.00 H new ATOM 0 HB3 MET A 49 8.981 -2.010 7.338 1.00 0.00 H new ATOM 0 HG2 MET A 49 8.558 -1.028 9.358 1.00 0.00 H new ATOM 0 HG3 MET A 49 6.918 -0.607 8.909 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.147 -2.662 11.380 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.014 -1.110 11.296 1.00 0.00 H new ATOM 0 HE3 MET A 49 4.945 -1.605 9.962 1.00 0.00 H new ATOM 543 N ASN A 50 8.428 -1.373 4.370 1.00 0.00 N ATOM 544 CA ASN A 50 9.392 -1.166 3.304 1.00 0.00 C ATOM 545 C ASN A 50 8.866 -0.097 2.344 1.00 0.00 C ATOM 546 O ASN A 50 9.608 0.791 1.929 1.00 0.00 O ATOM 547 CB ASN A 50 9.615 -2.451 2.504 1.00 0.00 C ATOM 548 CG ASN A 50 10.744 -3.286 3.110 1.00 0.00 C ATOM 549 OD1 ASN A 50 11.411 -2.886 4.051 1.00 0.00 O ATOM 550 ND2 ASN A 50 10.920 -4.466 2.521 1.00 0.00 N ATOM 0 H ASN A 50 7.794 -2.159 4.225 1.00 0.00 H new ATOM 0 HA ASN A 50 10.333 -0.856 3.758 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.695 -3.036 2.485 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.856 -2.203 1.470 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.649 -5.098 2.853 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.326 -4.739 1.738 1.00 0.00 H new ATOM 556 N MET A 51 7.586 -0.217 2.020 1.00 0.00 N ATOM 557 CA MET A 51 6.951 0.728 1.117 1.00 0.00 C ATOM 558 C MET A 51 7.043 2.155 1.662 1.00 0.00 C ATOM 559 O MET A 51 6.994 3.118 0.901 1.00 0.00 O ATOM 560 CB MET A 51 5.481 0.346 0.931 1.00 0.00 C ATOM 561 CG MET A 51 5.141 0.181 -0.552 1.00 0.00 C ATOM 562 SD MET A 51 4.312 -1.377 -0.818 1.00 0.00 S ATOM 563 CE MET A 51 2.620 -0.880 -0.545 1.00 0.00 C ATOM 0 H MET A 51 6.972 -0.954 2.367 1.00 0.00 H new ATOM 0 HA MET A 51 7.470 0.692 0.159 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.273 -0.583 1.461 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.844 1.113 1.371 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.504 1.002 -0.881 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.052 0.225 -1.149 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.952 -1.546 -1.092 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.393 -0.933 0.520 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.480 0.142 -0.896 1.00 0.00 H new ATOM 571 N MET A 52 7.176 2.243 2.978 1.00 0.00 N ATOM 572 CA MET A 52 7.276 3.536 3.633 1.00 0.00 C ATOM 573 C MET A 52 8.696 4.096 3.530 1.00 0.00 C ATOM 574 O MET A 52 8.885 5.249 3.144 1.00 0.00 O ATOM 575 CB MET A 52 6.892 3.391 5.108 1.00 0.00 C ATOM 576 CG MET A 52 5.518 2.735 5.254 1.00 0.00 C ATOM 577 SD MET A 52 4.248 3.833 4.644 1.00 0.00 S ATOM 578 CE MET A 52 3.424 2.744 3.494 1.00 0.00 C ATOM 0 H MET A 52 7.217 1.441 3.607 1.00 0.00 H new ATOM 0 HA MET A 52 6.596 4.227 3.135 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.642 2.793 5.626 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.883 4.372 5.583 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.494 1.796 4.702 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.330 2.494 6.300 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.110 3.311 2.618 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.108 1.953 3.188 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.550 2.303 3.973 1.00 0.00 H new ATOM 586 N ARG A 53 9.656 3.253 3.878 1.00 0.00 N ATOM 587 CA ARG A 53 11.054 3.649 3.828 1.00 0.00 C ATOM 588 C ARG A 53 11.519 3.772 2.376 1.00 0.00 C ATOM 589 O ARG A 53 12.670 4.120 2.117 1.00 0.00 O ATOM 590 CB ARG A 53 11.941 2.638 4.557 1.00 0.00 C ATOM 591 CG ARG A 53 11.530 2.507 6.025 1.00 0.00 C ATOM 592 CD ARG A 53 12.753 2.552 6.943 1.00 0.00 C ATOM 593 NE ARG A 53 12.790 1.343 7.796 1.00 0.00 N ATOM 594 CZ ARG A 53 13.257 0.144 7.390 1.00 0.00 C ATOM 595 NH1 ARG A 53 13.731 -0.018 6.137 1.00 0.00 N ATOM 596 NH2 ARG A 53 13.243 -0.869 8.237 1.00 0.00 N ATOM 0 H ARG A 53 9.494 2.297 4.196 1.00 0.00 H new ATOM 0 HA ARG A 53 11.142 4.615 4.325 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.870 1.667 4.068 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.983 2.951 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.844 3.312 6.288 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.993 1.570 6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 53 13.663 2.615 6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.718 3.446 7.566 1.00 0.00 H new ATOM 0 HE ARG A 53 12.440 1.421 8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.738 0.769 5.489 1.00 0.00 H new ATOM 0 HH12 ARG A 53 14.082 -0.928 5.838 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.883 -0.738 9.182 1.00 0.00 H new ATOM 0 HH22 ARG A 53 13.592 -1.782 7.946 1.00 0.00 H new ATOM 606 N LYS A 54 10.600 3.480 1.467 1.00 0.00 N ATOM 607 CA LYS A 54 10.902 3.553 0.048 1.00 0.00 C ATOM 608 C LYS A 54 10.560 4.952 -0.471 1.00 0.00 C ATOM 609 O LYS A 54 11.438 5.677 -0.934 1.00 0.00 O ATOM 610 CB LYS A 54 10.195 2.426 -0.709 1.00 0.00 C ATOM 611 CG LYS A 54 11.164 1.286 -1.025 1.00 0.00 C ATOM 612 CD LYS A 54 10.625 0.405 -2.154 1.00 0.00 C ATOM 613 CE LYS A 54 11.418 -0.899 -2.259 1.00 0.00 C ATOM 614 NZ LYS A 54 11.984 -1.056 -3.617 1.00 0.00 N ATOM 0 H LYS A 54 9.646 3.192 1.686 1.00 0.00 H new ATOM 0 HA LYS A 54 11.968 3.401 -0.123 1.00 0.00 H new ATOM 0 HB2 LYS A 54 9.365 2.048 -0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.771 2.815 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 54 12.133 1.696 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.324 0.682 -0.132 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.573 0.182 -1.975 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.680 0.945 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.221 -0.903 -1.522 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.770 -1.745 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.519 -1.946 -3.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.213 -1.074 -4.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.619 -0.258 -3.823 1.00 0.00 H new ATOM 623 N LEU A 55 9.282 5.286 -0.374 1.00 0.00 N ATOM 624 CA LEU A 55 8.813 6.585 -0.829 1.00 0.00 C ATOM 625 C LEU A 55 8.872 7.579 0.334 1.00 0.00 C ATOM 626 O LEU A 55 8.691 8.780 0.139 1.00 0.00 O ATOM 627 CB LEU A 55 7.426 6.463 -1.463 1.00 0.00 C ATOM 628 CG LEU A 55 6.585 5.266 -1.010 1.00 0.00 C ATOM 629 CD1 LEU A 55 5.092 5.548 -1.187 1.00 0.00 C ATOM 630 CD2 LEU A 55 7.016 3.989 -1.734 1.00 0.00 C ATOM 0 H LEU A 55 8.557 4.681 0.012 1.00 0.00 H new ATOM 0 HA LEU A 55 9.463 6.971 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.869 7.375 -1.249 1.00 0.00 H new ATOM 0 HB3 LEU A 55 7.546 6.409 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 55 6.760 5.108 0.054 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.517 4.683 -0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.813 6.417 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.881 5.746 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.403 3.154 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.888 4.119 -2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.064 3.783 -1.515 1.00 0.00 H new ATOM 641 N GLN A 56 9.127 7.041 1.518 1.00 0.00 N ATOM 642 CA GLN A 56 9.213 7.865 2.711 1.00 0.00 C ATOM 643 C GLN A 56 7.830 8.402 3.084 1.00 0.00 C ATOM 644 O GLN A 56 7.617 9.614 3.110 1.00 0.00 O ATOM 645 CB GLN A 56 10.212 9.009 2.518 1.00 0.00 C ATOM 646 CG GLN A 56 11.593 8.471 2.135 1.00 0.00 C ATOM 647 CD GLN A 56 12.702 9.321 2.756 1.00 0.00 C ATOM 648 OE1 GLN A 56 12.997 10.419 2.318 1.00 0.00 O ATOM 649 NE2 GLN A 56 13.300 8.750 3.798 1.00 0.00 N ATOM 0 H GLN A 56 9.277 6.045 1.676 1.00 0.00 H new ATOM 0 HA GLN A 56 9.575 7.246 3.532 1.00 0.00 H new ATOM 0 HB2 GLN A 56 9.852 9.684 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 56 10.286 9.591 3.437 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.691 7.438 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 56 11.698 8.466 1.050 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.003 7.827 4.113 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.055 9.236 4.282 1.00 0.00 H new ATOM 656 N VAL A 57 6.926 7.475 3.367 1.00 0.00 N ATOM 657 CA VAL A 57 5.570 7.841 3.738 1.00 0.00 C ATOM 658 C VAL A 57 5.268 7.307 5.140 1.00 0.00 C ATOM 659 O VAL A 57 5.850 6.310 5.567 1.00 0.00 O ATOM 660 CB VAL A 57 4.585 7.337 2.681 1.00 0.00 C ATOM 661 CG1 VAL A 57 4.253 8.438 1.673 1.00 0.00 C ATOM 662 CG2 VAL A 57 5.126 6.092 1.977 1.00 0.00 C ATOM 0 H VAL A 57 7.107 6.471 3.347 1.00 0.00 H new ATOM 0 HA VAL A 57 5.462 8.925 3.773 1.00 0.00 H new ATOM 0 HB VAL A 57 3.661 7.059 3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.551 8.054 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.805 9.284 2.193 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.166 8.762 1.174 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.407 5.754 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.070 6.332 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.287 5.301 2.709 1.00 0.00 H new ATOM 672 N HIS A 58 4.361 7.994 5.817 1.00 0.00 N ATOM 673 CA HIS A 58 3.975 7.602 7.162 1.00 0.00 C ATOM 674 C HIS A 58 3.521 6.141 7.160 1.00 0.00 C ATOM 675 O HIS A 58 4.281 5.251 7.537 1.00 0.00 O ATOM 676 CB HIS A 58 2.912 8.551 7.722 1.00 0.00 C ATOM 677 CG HIS A 58 3.388 9.385 8.888 1.00 0.00 C ATOM 678 ND1 HIS A 58 4.019 10.607 8.729 1.00 0.00 N ATOM 679 CD2 HIS A 58 3.317 9.160 10.231 1.00 0.00 C ATOM 680 CE1 HIS A 58 4.310 11.086 9.929 1.00 0.00 C ATOM 681 NE2 HIS A 58 3.876 10.187 10.859 1.00 0.00 N ATOM 0 H HIS A 58 3.882 8.820 5.460 1.00 0.00 H new ATOM 0 HA HIS A 58 4.835 7.679 7.827 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.577 9.216 6.926 1.00 0.00 H new ATOM 0 HB3 HIS A 58 2.047 7.967 8.035 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.880 8.293 10.704 1.00 0.00 H new ATOM 0 HE1 HIS A 58 4.804 12.024 10.135 1.00 0.00 H new ATOM 0 HE2 HIS A 58 3.966 10.288 11.870 1.00 0.00 H new ATOM 688 N LYS A 59 2.284 5.939 6.731 1.00 0.00 N ATOM 689 CA LYS A 59 1.719 4.601 6.675 1.00 0.00 C ATOM 690 C LYS A 59 1.148 4.352 5.279 1.00 0.00 C ATOM 691 O LYS A 59 1.673 4.859 4.289 1.00 0.00 O ATOM 692 CB LYS A 59 0.702 4.401 7.801 1.00 0.00 C ATOM 693 CG LYS A 59 0.768 2.975 8.351 1.00 0.00 C ATOM 694 CD LYS A 59 0.260 2.919 9.793 1.00 0.00 C ATOM 695 CE LYS A 59 0.428 1.517 10.381 1.00 0.00 C ATOM 696 NZ LYS A 59 -0.459 1.336 11.551 1.00 0.00 N ATOM 0 H LYS A 59 1.656 6.680 6.419 1.00 0.00 H new ATOM 0 HA LYS A 59 2.494 3.853 6.841 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.897 5.113 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.302 4.606 7.430 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.170 2.312 7.725 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.795 2.613 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.805 3.640 10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.791 3.206 9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.197 0.768 9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.466 1.362 10.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.332 0.379 11.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.220 2.039 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.449 1.463 11.259 1.00 0.00 H new ATOM 705 N VAL A 60 0.079 3.569 5.242 1.00 0.00 N ATOM 706 CA VAL A 60 -0.571 3.247 3.983 1.00 0.00 C ATOM 707 C VAL A 60 -1.423 4.436 3.533 1.00 0.00 C ATOM 708 O VAL A 60 -1.552 4.694 2.338 1.00 0.00 O ATOM 709 CB VAL A 60 -1.377 1.954 4.126 1.00 0.00 C ATOM 710 CG1 VAL A 60 -2.225 1.697 2.879 1.00 0.00 C ATOM 711 CG2 VAL A 60 -0.459 0.767 4.421 1.00 0.00 C ATOM 0 H VAL A 60 -0.353 3.148 6.065 1.00 0.00 H new ATOM 0 HA VAL A 60 0.172 3.068 3.206 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.054 2.071 4.972 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.788 0.772 3.006 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.917 2.526 2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.575 1.609 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.056 -0.140 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.253 0.646 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.081 0.947 5.351 1.00 0.00 H new ATOM 721 N THR A 61 -1.980 5.127 4.516 1.00 0.00 N ATOM 722 CA THR A 61 -2.816 6.282 4.235 1.00 0.00 C ATOM 723 C THR A 61 -2.003 7.374 3.538 1.00 0.00 C ATOM 724 O THR A 61 -2.342 7.796 2.434 1.00 0.00 O ATOM 725 CB THR A 61 -3.443 6.743 5.553 1.00 0.00 C ATOM 726 OG1 THR A 61 -4.114 7.954 5.215 1.00 0.00 O ATOM 727 CG2 THR A 61 -2.396 7.171 6.582 1.00 0.00 C ATOM 0 H THR A 61 -1.869 4.910 5.507 1.00 0.00 H new ATOM 0 HA THR A 61 -3.620 6.028 3.544 1.00 0.00 H new ATOM 0 HB THR A 61 -4.049 5.937 5.967 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.550 8.320 6.013 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.895 7.489 7.498 1.00 0.00 H new ATOM 0 HG22 THR A 61 -1.736 6.331 6.800 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.810 7.999 6.182 1.00 0.00 H new ATOM 735 N GLU A 62 -0.942 7.799 4.210 1.00 0.00 N ATOM 736 CA GLU A 62 -0.076 8.831 3.667 1.00 0.00 C ATOM 737 C GLU A 62 0.578 8.349 2.371 1.00 0.00 C ATOM 738 O GLU A 62 0.765 9.129 1.439 1.00 0.00 O ATOM 739 CB GLU A 62 0.978 9.256 4.691 1.00 0.00 C ATOM 740 CG GLU A 62 1.895 10.337 4.117 1.00 0.00 C ATOM 741 CD GLU A 62 1.693 11.669 4.842 1.00 0.00 C ATOM 742 OE1 GLU A 62 0.678 12.345 4.626 1.00 0.00 O ATOM 743 OE2 GLU A 62 2.639 11.994 5.658 1.00 0.00 O ATOM 0 H GLU A 62 -0.663 7.447 5.126 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.685 9.706 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.487 9.630 5.590 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.571 8.391 4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.935 10.023 4.209 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.693 10.463 3.053 1.00 0.00 H new ATOM 749 N LEU A 63 0.910 7.066 2.355 1.00 0.00 N ATOM 750 CA LEU A 63 1.540 6.471 1.190 1.00 0.00 C ATOM 751 C LEU A 63 0.576 6.541 0.003 1.00 0.00 C ATOM 752 O LEU A 63 0.977 6.893 -1.105 1.00 0.00 O ATOM 753 CB LEU A 63 2.023 5.054 1.507 1.00 0.00 C ATOM 754 CG LEU A 63 2.230 4.129 0.304 1.00 0.00 C ATOM 755 CD1 LEU A 63 3.357 3.131 0.569 1.00 0.00 C ATOM 756 CD2 LEU A 63 0.923 3.432 -0.081 1.00 0.00 C ATOM 0 H LEU A 63 0.754 6.423 3.131 1.00 0.00 H new ATOM 0 HA LEU A 63 2.432 7.032 0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.965 5.126 2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.302 4.588 2.179 1.00 0.00 H new ATOM 0 HG LEU A 63 2.533 4.737 -0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.484 2.486 -0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.285 3.671 0.758 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.108 2.523 1.439 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.097 2.781 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.566 2.838 0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.174 4.180 -0.340 1.00 0.00 H new ATOM 767 N LEU A 64 -0.674 6.198 0.276 1.00 0.00 N ATOM 768 CA LEU A 64 -1.697 6.218 -0.755 1.00 0.00 C ATOM 769 C LEU A 64 -1.670 7.570 -1.468 1.00 0.00 C ATOM 770 O LEU A 64 -1.797 7.635 -2.691 1.00 0.00 O ATOM 771 CB LEU A 64 -3.062 5.862 -0.163 1.00 0.00 C ATOM 772 CG LEU A 64 -3.283 4.386 0.173 1.00 0.00 C ATOM 773 CD1 LEU A 64 -4.208 4.232 1.383 1.00 0.00 C ATOM 774 CD2 LEU A 64 -3.799 3.617 -1.044 1.00 0.00 C ATOM 0 H LEU A 64 -1.001 5.905 1.196 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.494 5.456 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.205 6.446 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.834 6.173 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.322 3.950 0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.349 3.173 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.762 4.724 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.173 4.689 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.947 2.571 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.746 4.046 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.072 3.685 -1.853 1.00 0.00 H new ATOM 785 N ASN A 65 -1.503 8.619 -0.676 1.00 0.00 N ATOM 786 CA ASN A 65 -1.457 9.966 -1.217 1.00 0.00 C ATOM 787 C ASN A 65 -0.193 10.130 -2.063 1.00 0.00 C ATOM 788 O ASN A 65 -0.158 10.946 -2.982 1.00 0.00 O ATOM 789 CB ASN A 65 -1.415 11.008 -0.097 1.00 0.00 C ATOM 790 CG ASN A 65 -2.824 11.331 0.405 1.00 0.00 C ATOM 791 OD1 ASN A 65 -3.745 11.564 -0.361 1.00 0.00 O ATOM 792 ND2 ASN A 65 -2.939 11.332 1.730 1.00 0.00 N ATOM 0 H ASN A 65 -1.398 8.563 0.337 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.353 10.118 -1.818 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.808 10.636 0.728 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.937 11.918 -0.460 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.839 11.536 2.164 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -2.127 11.128 2.313 1.00 0.00 H new ATOM 798 N CYS A 66 0.815 9.340 -1.720 1.00 0.00 N ATOM 799 CA CYS A 66 2.078 9.388 -2.437 1.00 0.00 C ATOM 800 C CYS A 66 1.855 8.829 -3.843 1.00 0.00 C ATOM 801 O CYS A 66 2.470 9.291 -4.803 1.00 0.00 O ATOM 802 CB CYS A 66 3.180 8.632 -1.691 1.00 0.00 C ATOM 803 SG CYS A 66 4.490 9.795 -1.162 1.00 0.00 S ATOM 0 H CYS A 66 0.782 8.664 -0.956 1.00 0.00 H new ATOM 0 HA CYS A 66 2.419 10.421 -2.508 1.00 0.00 H new ATOM 0 HB2 CYS A 66 2.760 8.125 -0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 66 3.604 7.862 -2.335 1.00 0.00 H new ATOM 0 HG CYS A 66 4.111 10.414 -0.084 1.00 0.00 H new ATOM 808 N ALA A 67 0.972 7.844 -3.921 1.00 0.00 N ATOM 809 CA ALA A 67 0.659 7.218 -5.193 1.00 0.00 C ATOM 810 C ALA A 67 -0.476 7.988 -5.871 1.00 0.00 C ATOM 811 O ALA A 67 -0.385 8.327 -7.049 1.00 0.00 O ATOM 812 CB ALA A 67 0.309 5.746 -4.967 1.00 0.00 C ATOM 0 H ALA A 67 0.463 7.464 -3.123 1.00 0.00 H new ATOM 0 HA ALA A 67 1.523 7.250 -5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.074 5.277 -5.923 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.158 5.236 -4.511 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.555 5.675 -4.306 1.00 0.00 H new ATOM 818 N ARG A 68 -1.521 8.244 -5.096 1.00 0.00 N ATOM 819 CA ARG A 68 -2.672 8.968 -5.606 1.00 0.00 C ATOM 820 C ARG A 68 -2.298 10.422 -5.899 1.00 0.00 C ATOM 821 O ARG A 68 -2.491 10.904 -7.014 1.00 0.00 O ATOM 822 CB ARG A 68 -3.829 8.938 -4.604 1.00 0.00 C ATOM 823 CG ARG A 68 -5.127 8.490 -5.281 1.00 0.00 C ATOM 824 CD ARG A 68 -4.931 7.167 -6.021 1.00 0.00 C ATOM 825 NE ARG A 68 -5.108 7.370 -7.476 1.00 0.00 N ATOM 826 CZ ARG A 68 -6.243 7.830 -8.044 1.00 0.00 C ATOM 827 NH1 ARG A 68 -7.314 8.140 -7.282 1.00 0.00 N ATOM 828 NH2 ARG A 68 -6.290 7.973 -9.356 1.00 0.00 N ATOM 0 H ARG A 68 -1.594 7.962 -4.118 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.990 8.479 -6.527 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.589 8.260 -3.785 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.964 9.928 -4.169 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.912 8.379 -4.533 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.459 9.256 -5.981 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.935 6.772 -5.819 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.646 6.429 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.323 7.148 -8.088 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.269 8.027 -6.269 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.168 8.487 -7.719 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.476 7.737 -9.924 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.140 8.319 -9.801 1.00 0.00 H new ATOM 838 N ARG A 69 -1.767 11.080 -4.879 1.00 0.00 N ATOM 839 CA ARG A 69 -1.363 12.469 -5.013 1.00 0.00 C ATOM 840 C ARG A 69 -2.582 13.351 -5.292 1.00 0.00 C ATOM 841 O ARG A 69 -2.623 14.058 -6.298 1.00 0.00 O ATOM 842 CB ARG A 69 -0.347 12.642 -6.146 1.00 0.00 C ATOM 843 CG ARG A 69 0.581 13.827 -5.874 1.00 0.00 C ATOM 844 CD ARG A 69 1.469 13.561 -4.657 1.00 0.00 C ATOM 845 NE ARG A 69 2.839 14.060 -4.912 1.00 0.00 N ATOM 846 CZ ARG A 69 3.667 13.555 -5.852 1.00 0.00 C ATOM 847 NH1 ARG A 69 3.269 12.531 -6.635 1.00 0.00 N ATOM 848 NH2 ARG A 69 4.870 14.079 -5.992 1.00 0.00 N ATOM 0 H ARG A 69 -1.607 10.677 -3.956 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.898 12.771 -4.075 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.242 11.731 -6.253 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.871 12.795 -7.089 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.204 14.014 -6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.012 14.726 -5.706 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.052 14.052 -3.778 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.496 12.493 -4.443 1.00 0.00 H new ATOM 0 HE ARG A 69 3.179 14.834 -4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.337 12.133 -6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.900 12.155 -7.343 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.162 14.853 -5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.508 13.710 -6.697 1.00 0.00 H new ATOM 858 N MET A 70 -3.542 13.283 -4.383 1.00 0.00 N ATOM 859 CA MET A 70 -4.758 14.067 -4.518 1.00 0.00 C ATOM 860 C MET A 70 -5.006 14.914 -3.269 1.00 0.00 C ATOM 861 O MET A 70 -4.861 16.136 -3.305 1.00 0.00 O ATOM 862 CB MET A 70 -5.947 13.129 -4.743 1.00 0.00 C ATOM 863 CG MET A 70 -7.230 13.922 -5.000 1.00 0.00 C ATOM 864 SD MET A 70 -7.505 14.084 -6.756 1.00 0.00 S ATOM 865 CE MET A 70 -8.922 13.015 -6.948 1.00 0.00 C ATOM 0 H MET A 70 -3.503 12.697 -3.549 1.00 0.00 H new ATOM 0 HA MET A 70 -4.644 14.736 -5.371 1.00 0.00 H new ATOM 0 HB2 MET A 70 -5.743 12.475 -5.591 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.080 12.489 -3.871 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.078 13.418 -4.536 1.00 0.00 H new ATOM 0 HG3 MET A 70 -7.156 14.909 -4.543 1.00 0.00 H new ATOM 0 HE1 MET A 70 -9.228 13.000 -7.994 1.00 0.00 H new ATOM 0 HE2 MET A 70 -8.661 12.005 -6.632 1.00 0.00 H new ATOM 0 HE3 MET A 70 -9.743 13.386 -6.335 1.00 0.00 H new ATOM 873 N ARG A 71 -5.375 14.234 -2.194 1.00 0.00 N ATOM 874 CA ARG A 71 -5.643 14.910 -0.937 1.00 0.00 C ATOM 875 C ARG A 71 -5.821 13.888 0.188 1.00 0.00 C ATOM 876 O ARG A 71 -4.995 13.810 1.097 1.00 0.00 O ATOM 877 CB ARG A 71 -6.902 15.775 -1.035 1.00 0.00 C ATOM 878 CG ARG A 71 -6.715 17.098 -0.289 1.00 0.00 C ATOM 879 CD ARG A 71 -7.399 17.058 1.080 1.00 0.00 C ATOM 880 NE ARG A 71 -6.431 17.417 2.140 1.00 0.00 N ATOM 881 CZ ARG A 71 -6.053 18.682 2.422 1.00 0.00 C ATOM 882 NH1 ARG A 71 -6.559 19.722 1.724 1.00 0.00 N ATOM 883 NH2 ARG A 71 -5.179 18.889 3.390 1.00 0.00 N ATOM 0 H ARG A 71 -5.495 13.221 -2.168 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.790 15.552 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.132 15.973 -2.082 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.752 15.235 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.652 17.301 -0.162 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.127 17.915 -0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -8.241 17.750 1.095 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.801 16.062 1.266 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.024 16.662 2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.233 19.555 0.977 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.267 20.674 1.944 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.800 18.099 3.912 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.883 19.839 3.615 1.00 0.00 H new ATOM 893 N LEU A 72 -6.903 13.131 0.090 1.00 0.00 N ATOM 894 CA LEU A 72 -7.200 12.118 1.088 1.00 0.00 C ATOM 895 C LEU A 72 -7.302 10.751 0.407 1.00 0.00 C ATOM 896 O LEU A 72 -6.405 9.921 0.536 1.00 0.00 O ATOM 897 CB LEU A 72 -8.448 12.501 1.887 1.00 0.00 C ATOM 898 CG LEU A 72 -8.371 12.279 3.399 1.00 0.00 C ATOM 899 CD1 LEU A 72 -9.355 13.185 4.138 1.00 0.00 C ATOM 900 CD2 LEU A 72 -8.579 10.803 3.747 1.00 0.00 C ATOM 0 H LEU A 72 -7.585 13.199 -0.665 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.391 12.053 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.663 13.554 1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.293 11.932 1.499 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.370 12.552 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.279 13.006 5.211 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.119 14.228 3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.370 12.968 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.520 10.672 4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.559 10.481 3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.806 10.203 3.266 1.00 0.00 H new ATOM 911 N ILE A 73 -8.404 10.561 -0.304 1.00 0.00 N ATOM 912 CA ILE A 73 -8.636 9.311 -1.006 1.00 0.00 C ATOM 913 C ILE A 73 -8.950 8.211 0.010 1.00 0.00 C ATOM 914 O ILE A 73 -8.180 7.263 0.164 1.00 0.00 O ATOM 915 CB ILE A 73 -7.453 8.982 -1.920 1.00 0.00 C ATOM 916 CG1 ILE A 73 -6.952 10.236 -2.639 1.00 0.00 C ATOM 917 CG2 ILE A 73 -7.811 7.863 -2.901 1.00 0.00 C ATOM 918 CD1 ILE A 73 -5.591 10.675 -2.095 1.00 0.00 C ATOM 0 H ILE A 73 -9.146 11.253 -0.409 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.502 9.398 -1.662 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.634 8.616 -1.301 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.874 10.039 -3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.674 11.043 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.953 7.649 -3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.083 6.965 -2.346 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -8.653 8.176 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.259 11.568 -2.624 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -5.678 10.895 -1.031 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.865 9.875 -2.242 1.00 0.00 H new ATOM 929 N GLU A 74 -10.083 8.373 0.677 1.00 0.00 N ATOM 930 CA GLU A 74 -10.510 7.405 1.674 1.00 0.00 C ATOM 931 C GLU A 74 -10.878 6.081 1.005 1.00 0.00 C ATOM 932 O GLU A 74 -10.912 5.039 1.659 1.00 0.00 O ATOM 933 CB GLU A 74 -11.679 7.947 2.498 1.00 0.00 C ATOM 934 CG GLU A 74 -12.886 8.247 1.606 1.00 0.00 C ATOM 935 CD GLU A 74 -12.949 9.734 1.251 1.00 0.00 C ATOM 936 OE1 GLU A 74 -12.731 10.104 0.089 1.00 0.00 O ATOM 937 OE2 GLU A 74 -13.239 10.517 2.236 1.00 0.00 O ATOM 0 H GLU A 74 -10.719 9.160 0.547 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.680 7.225 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.958 7.221 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.372 8.854 3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.825 7.654 0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.803 7.952 2.117 1.00 0.00 H new ATOM 943 N TYR A 75 -11.144 6.162 -0.290 1.00 0.00 N ATOM 944 CA TYR A 75 -11.509 4.981 -1.056 1.00 0.00 C ATOM 945 C TYR A 75 -12.468 4.090 -0.265 1.00 0.00 C ATOM 946 O TYR A 75 -13.258 3.351 -0.849 1.00 0.00 O ATOM 947 CB TYR A 75 -10.205 4.219 -1.300 1.00 0.00 C ATOM 948 CG TYR A 75 -10.029 3.734 -2.741 1.00 0.00 C ATOM 949 CD1 TYR A 75 -10.858 2.753 -3.246 1.00 0.00 C ATOM 950 CD2 TYR A 75 -9.042 4.278 -3.535 1.00 0.00 C ATOM 951 CE1 TYR A 75 -10.693 2.296 -4.601 1.00 0.00 C ATOM 952 CE2 TYR A 75 -8.875 3.821 -4.891 1.00 0.00 C ATOM 953 CZ TYR A 75 -9.709 2.853 -5.356 1.00 0.00 C ATOM 954 OH TYR A 75 -9.552 2.422 -6.637 1.00 0.00 O ATOM 0 H TYR A 75 -11.114 7.027 -0.829 1.00 0.00 H new ATOM 0 HA TYR A 75 -12.008 5.262 -1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.365 4.863 -1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -10.168 3.359 -0.631 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -11.632 2.328 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.394 5.047 -3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -11.335 1.529 -5.008 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.105 4.238 -5.524 1.00 0.00 H new ATOM 0 HH TYR A 75 -9.082 1.562 -6.638 1.00 0.00 H new TER 963 TYR A 75