USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 822 hydrogens (10 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: B 39 HIS HD1 : B 39 HIS ND1 : B 50 ZNZN :(H bumps) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0.949 K(o=0.95,f=-0.57) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0795 X(o=-0.08,f=-0.11) USER MOD Single : A 17 TYR OH : rot -175:sc= 1.01 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -82:sc= 0.759 USER MOD Single : A 25 HIS : no HD1:sc= 0.0161 X(o=0.016,f=-0.18) USER MOD Single : A 26 ASN : amide:sc= 0.919 K(o=0.92,f=-0.56) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : +bothHN:sc= -0.56 K(o=-0.56,f=-5.9!) USER MOD Single : A 45 THR OG1 : rot 76:sc=0.000843 USER MOD Single : B 2 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= -0.0821 X(o=-0.082,f=0) USER MOD Single : B 17 TYR OH : rot -175:sc= 0.478 USER MOD Single : B 23 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 THR OG1 : rot -177:sc= -0.115 USER MOD Single : B 25 HIS : no HD1:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : B 26 ASN : amide:sc= 0.866 K(o=0.87,f=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 LYS NZ :NH3+ 176:sc= 1.11 (180deg=1.1) USER MOD Single : B 45 THR OG1 : rot 80:sc= 1.26 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 2.853 12.024 -13.163 1.00 0.00 C HETATM 2 O ACE A 0 2.682 11.880 -14.371 1.00 0.00 O HETATM 3 CH3 ACE A 0 2.216 13.184 -12.435 1.00 0.00 C HETATM 0 H1 ACE A 0 1.552 12.805 -11.658 1.00 0.00 H new HETATM 0 H2 ACE A 0 2.993 13.799 -11.980 1.00 0.00 H new HETATM 0 H3 ACE A 0 1.643 13.786 -13.140 1.00 0.00 H new ATOM 7 N ASP A 1 3.578 11.193 -12.415 1.00 0.00 N ATOM 8 CA ASP A 1 4.351 10.048 -12.938 1.00 0.00 C ATOM 9 C ASP A 1 4.163 8.752 -12.136 1.00 0.00 C ATOM 10 O ASP A 1 4.389 7.655 -12.648 1.00 0.00 O ATOM 11 CB ASP A 1 5.834 10.433 -12.949 1.00 0.00 C ATOM 12 CG ASP A 1 6.694 9.486 -13.805 1.00 0.00 C ATOM 13 OD1 ASP A 1 6.306 9.159 -14.952 1.00 0.00 O ATOM 14 OD2 ASP A 1 7.799 9.097 -13.362 1.00 0.00 O ATOM 0 H ASP A 1 3.651 11.293 -11.403 1.00 0.00 H new ATOM 0 HA ASP A 1 3.979 9.837 -13.941 1.00 0.00 H new ATOM 0 HB2 ASP A 1 5.937 11.450 -13.327 1.00 0.00 H new ATOM 0 HB3 ASP A 1 6.211 10.433 -11.926 1.00 0.00 H new ATOM 19 N TYR A 2 3.681 8.871 -10.895 1.00 0.00 N ATOM 20 CA TYR A 2 3.322 7.736 -10.030 1.00 0.00 C ATOM 21 C TYR A 2 2.406 6.737 -10.738 1.00 0.00 C ATOM 22 O TYR A 2 2.567 5.535 -10.591 1.00 0.00 O ATOM 23 CB TYR A 2 2.588 8.203 -8.761 1.00 0.00 C ATOM 24 CG TYR A 2 3.044 9.514 -8.162 1.00 0.00 C ATOM 25 CD1 TYR A 2 4.241 9.577 -7.427 1.00 0.00 C ATOM 26 CD2 TYR A 2 2.251 10.665 -8.329 1.00 0.00 C ATOM 27 CE1 TYR A 2 4.645 10.796 -6.852 1.00 0.00 C ATOM 28 CE2 TYR A 2 2.650 11.883 -7.754 1.00 0.00 C ATOM 29 CZ TYR A 2 3.851 11.955 -7.012 1.00 0.00 C ATOM 30 OH TYR A 2 4.231 13.137 -6.454 1.00 0.00 O ATOM 0 H TYR A 2 3.525 9.776 -10.452 1.00 0.00 H new ATOM 0 HA TYR A 2 4.267 7.257 -9.773 1.00 0.00 H new ATOM 0 HB2 TYR A 2 1.526 8.284 -8.992 1.00 0.00 H new ATOM 0 HB3 TYR A 2 2.691 7.427 -8.002 1.00 0.00 H new ATOM 0 HD1 TYR A 2 4.848 8.692 -7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 2 1.335 10.612 -8.899 1.00 0.00 H new ATOM 0 HE1 TYR A 2 5.564 10.847 -6.287 1.00 0.00 H new ATOM 0 HE2 TYR A 2 2.039 12.765 -7.879 1.00 0.00 H new ATOM 0 HH TYR A 2 3.568 13.827 -6.666 1.00 0.00 H new ATOM 40 N LEU A 3 1.458 7.249 -11.526 1.00 0.00 N ATOM 41 CA LEU A 3 0.423 6.489 -12.230 1.00 0.00 C ATOM 42 C LEU A 3 1.036 5.521 -13.253 1.00 0.00 C ATOM 43 O LEU A 3 0.628 4.363 -13.334 1.00 0.00 O ATOM 44 CB LEU A 3 -0.535 7.484 -12.913 1.00 0.00 C ATOM 45 CG LEU A 3 -1.278 8.416 -11.932 1.00 0.00 C ATOM 46 CD1 LEU A 3 -1.957 9.544 -12.704 1.00 0.00 C ATOM 47 CD2 LEU A 3 -2.343 7.670 -11.123 1.00 0.00 C ATOM 0 H LEU A 3 1.388 8.252 -11.699 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.129 5.880 -11.514 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.032 8.093 -13.617 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.269 6.925 -13.494 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.535 8.813 -11.241 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.480 10.199 -12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.205 10.118 -13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.671 9.122 -13.411 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.840 8.366 -10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.078 7.237 -11.801 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.871 6.876 -10.544 1.00 0.00 H new ATOM 59 N ARG A 4 2.062 5.977 -13.986 1.00 0.00 N ATOM 60 CA ARG A 4 2.855 5.166 -14.921 1.00 0.00 C ATOM 61 C ARG A 4 3.666 4.093 -14.193 1.00 0.00 C ATOM 62 O ARG A 4 3.713 2.952 -14.651 1.00 0.00 O ATOM 63 CB ARG A 4 3.750 6.109 -15.745 1.00 0.00 C ATOM 64 CG ARG A 4 4.546 5.390 -16.845 1.00 0.00 C ATOM 65 CD ARG A 4 5.267 6.380 -17.771 1.00 0.00 C ATOM 66 NE ARG A 4 6.287 7.178 -17.057 1.00 0.00 N ATOM 67 CZ ARG A 4 7.580 7.271 -17.305 1.00 0.00 C ATOM 68 NH1 ARG A 4 8.171 6.636 -18.279 1.00 0.00 N ATOM 69 NH2 ARG A 4 8.302 8.035 -16.545 1.00 0.00 N ATOM 0 H ARG A 4 2.372 6.948 -13.943 1.00 0.00 H new ATOM 0 HA ARG A 4 2.188 4.627 -15.593 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.129 6.880 -16.201 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.446 6.615 -15.075 1.00 0.00 H new ATOM 0 HG2 ARG A 4 5.277 4.723 -16.387 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.871 4.768 -17.433 1.00 0.00 H new ATOM 0 HD2 ARG A 4 5.742 5.832 -18.585 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.535 7.050 -18.222 1.00 0.00 H new ATOM 0 HE ARG A 4 5.946 7.729 -16.269 1.00 0.00 H new ATOM 0 HH11 ARG A 4 7.630 6.030 -18.895 1.00 0.00 H new ATOM 0 HH12 ARG A 4 9.175 6.745 -18.424 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.868 8.547 -15.777 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.304 8.124 -16.716 1.00 0.00 H new ATOM 83 N GLU A 5 4.259 4.428 -13.045 1.00 0.00 N ATOM 84 CA GLU A 5 4.992 3.456 -12.216 1.00 0.00 C ATOM 85 C GLU A 5 4.057 2.388 -11.610 1.00 0.00 C ATOM 86 O GLU A 5 4.364 1.193 -11.640 1.00 0.00 O ATOM 87 CB GLU A 5 5.789 4.203 -11.136 1.00 0.00 C ATOM 88 CG GLU A 5 6.731 3.272 -10.364 1.00 0.00 C ATOM 89 CD GLU A 5 7.650 4.067 -9.417 1.00 0.00 C ATOM 90 OE1 GLU A 5 7.268 4.301 -8.244 1.00 0.00 O ATOM 91 OE2 GLU A 5 8.771 4.451 -9.834 1.00 0.00 O ATOM 0 H GLU A 5 4.248 5.373 -12.662 1.00 0.00 H new ATOM 0 HA GLU A 5 5.691 2.913 -12.853 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.369 5.000 -11.601 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.098 4.677 -10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.146 2.554 -9.789 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.337 2.700 -11.067 1.00 0.00 H new ATOM 98 N LEU A 6 2.880 2.813 -11.137 1.00 0.00 N ATOM 99 CA LEU A 6 1.775 1.975 -10.669 1.00 0.00 C ATOM 100 C LEU A 6 1.347 0.971 -11.739 1.00 0.00 C ATOM 101 O LEU A 6 1.391 -0.234 -11.503 1.00 0.00 O ATOM 102 CB LEU A 6 0.598 2.888 -10.251 1.00 0.00 C ATOM 103 CG LEU A 6 0.435 3.005 -8.733 1.00 0.00 C ATOM 104 CD1 LEU A 6 1.666 3.536 -7.990 1.00 0.00 C ATOM 105 CD2 LEU A 6 -0.734 3.935 -8.394 1.00 0.00 C ATOM 0 H LEU A 6 2.663 3.807 -11.067 1.00 0.00 H new ATOM 0 HA LEU A 6 2.104 1.394 -9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.751 3.882 -10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.325 2.499 -10.680 1.00 0.00 H new ATOM 0 HG LEU A 6 0.264 1.981 -8.400 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.454 3.583 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.511 2.870 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.910 4.533 -8.356 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.838 4.009 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.543 4.925 -8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.653 3.534 -8.820 1.00 0.00 H new ATOM 117 N LEU A 7 0.998 1.462 -12.930 1.00 0.00 N ATOM 118 CA LEU A 7 0.691 0.633 -14.100 1.00 0.00 C ATOM 119 C LEU A 7 1.800 -0.379 -14.420 1.00 0.00 C ATOM 120 O LEU A 7 1.503 -1.568 -14.526 1.00 0.00 O ATOM 121 CB LEU A 7 0.378 1.503 -15.337 1.00 0.00 C ATOM 122 CG LEU A 7 -1.131 1.618 -15.606 1.00 0.00 C ATOM 123 CD1 LEU A 7 -1.847 2.521 -14.605 1.00 0.00 C ATOM 124 CD2 LEU A 7 -1.386 2.156 -17.014 1.00 0.00 C ATOM 0 H LEU A 7 0.919 2.462 -13.113 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.199 0.060 -13.842 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.795 2.499 -15.192 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.869 1.076 -16.212 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.532 0.610 -15.501 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.909 2.562 -14.847 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.719 2.122 -13.599 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.425 3.525 -14.653 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.460 2.230 -17.186 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.933 3.142 -17.114 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.947 1.479 -17.747 1.00 0.00 H new ATOM 136 N LYS A 8 3.067 0.050 -14.532 1.00 0.00 N ATOM 137 CA LYS A 8 4.204 -0.856 -14.802 1.00 0.00 C ATOM 138 C LYS A 8 4.307 -1.993 -13.783 1.00 0.00 C ATOM 139 O LYS A 8 4.555 -3.136 -14.163 1.00 0.00 O ATOM 140 CB LYS A 8 5.532 -0.072 -14.876 1.00 0.00 C ATOM 141 CG LYS A 8 6.039 0.103 -16.316 1.00 0.00 C ATOM 142 CD LYS A 8 5.172 1.047 -17.165 1.00 0.00 C ATOM 143 CE LYS A 8 5.561 1.013 -18.652 1.00 0.00 C ATOM 144 NZ LYS A 8 6.960 1.460 -18.895 1.00 0.00 N ATOM 0 H LYS A 8 3.336 1.030 -14.439 1.00 0.00 H new ATOM 0 HA LYS A 8 4.012 -1.314 -15.772 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.395 0.909 -14.422 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.289 -0.592 -14.289 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.059 0.487 -16.289 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.078 -0.873 -16.799 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.124 0.768 -17.059 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.271 2.065 -16.789 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.438 -0.001 -19.031 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.879 1.649 -19.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.166 1.416 -19.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.075 2.438 -18.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.617 0.839 -18.382 1.00 0.00 H new ATOM 158 N GLY A 9 4.082 -1.697 -12.505 1.00 0.00 N ATOM 159 CA GLY A 9 4.223 -2.667 -11.430 1.00 0.00 C ATOM 160 C GLY A 9 3.035 -3.589 -11.230 1.00 0.00 C ATOM 161 O GLY A 9 3.206 -4.799 -11.076 1.00 0.00 O ATOM 0 H GLY A 9 3.795 -0.771 -12.188 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.106 -3.276 -11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.406 -2.130 -10.499 1.00 0.00 H new ATOM 165 N GLU A 10 1.829 -3.038 -11.310 1.00 0.00 N ATOM 166 CA GLU A 10 0.609 -3.836 -11.376 1.00 0.00 C ATOM 167 C GLU A 10 0.655 -4.772 -12.583 1.00 0.00 C ATOM 168 O GLU A 10 0.315 -5.949 -12.423 1.00 0.00 O ATOM 169 CB GLU A 10 -0.639 -2.937 -11.453 1.00 0.00 C ATOM 170 CG GLU A 10 -0.945 -2.118 -10.187 1.00 0.00 C ATOM 171 CD GLU A 10 -1.719 -2.937 -9.157 1.00 0.00 C ATOM 172 OE1 GLU A 10 -1.285 -3.902 -8.500 1.00 0.00 O ATOM 173 OE2 GLU A 10 -2.931 -2.830 -8.876 1.00 0.00 O ATOM 0 H GLU A 10 1.669 -2.031 -11.331 1.00 0.00 H new ATOM 0 HA GLU A 10 0.545 -4.430 -10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.518 -2.249 -12.289 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.503 -3.563 -11.677 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.012 -1.767 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.522 -1.234 -10.457 1.00 0.00 H new ATOM 180 N LEU A 11 1.133 -4.326 -13.762 1.00 0.00 N ATOM 181 CA LEU A 11 1.079 -5.231 -14.910 1.00 0.00 C ATOM 182 C LEU A 11 2.082 -6.399 -14.832 1.00 0.00 C ATOM 183 O LEU A 11 1.791 -7.506 -15.288 1.00 0.00 O ATOM 184 CB LEU A 11 1.059 -4.398 -16.192 1.00 0.00 C ATOM 185 CG LEU A 11 2.411 -4.218 -16.882 1.00 0.00 C ATOM 186 CD1 LEU A 11 2.736 -5.358 -17.851 1.00 0.00 C ATOM 187 CD2 LEU A 11 2.422 -2.916 -17.680 1.00 0.00 C ATOM 0 H LEU A 11 1.535 -3.404 -13.934 1.00 0.00 H new ATOM 0 HA LEU A 11 0.145 -5.793 -14.906 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.371 -4.864 -16.897 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.656 -3.413 -15.958 1.00 0.00 H new ATOM 0 HG LEU A 11 3.159 -4.207 -16.090 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.707 -5.178 -18.312 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.762 -6.302 -17.307 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.970 -5.407 -18.625 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.389 -2.797 -18.168 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.636 -2.945 -18.435 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.249 -2.076 -17.008 1.00 0.00 H new ATOM 199 N GLN A 12 3.220 -6.185 -14.170 1.00 0.00 N ATOM 200 CA GLN A 12 4.243 -7.197 -13.907 1.00 0.00 C ATOM 201 C GLN A 12 3.743 -8.291 -12.945 1.00 0.00 C ATOM 202 O GLN A 12 4.167 -9.444 -13.045 1.00 0.00 O ATOM 203 CB GLN A 12 5.511 -6.495 -13.386 1.00 0.00 C ATOM 204 CG GLN A 12 6.802 -7.327 -13.501 1.00 0.00 C ATOM 205 CD GLN A 12 7.029 -8.373 -12.404 1.00 0.00 C ATOM 206 OE1 GLN A 12 6.594 -8.247 -11.266 1.00 0.00 O ATOM 207 NE2 GLN A 12 7.765 -9.424 -12.701 1.00 0.00 N ATOM 0 H GLN A 12 3.463 -5.270 -13.789 1.00 0.00 H new ATOM 0 HA GLN A 12 4.481 -7.716 -14.836 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.646 -5.563 -13.935 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.359 -6.229 -12.340 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.798 -7.836 -14.465 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.651 -6.644 -13.505 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.132 -9.539 -13.646 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.968 -10.123 -11.986 1.00 0.00 H new ATOM 216 N GLY A 13 2.783 -7.961 -12.071 1.00 0.00 N ATOM 217 CA GLY A 13 2.160 -8.919 -11.159 1.00 0.00 C ATOM 218 C GLY A 13 1.126 -9.783 -11.875 1.00 0.00 C ATOM 219 O GLY A 13 1.102 -11.000 -11.678 1.00 0.00 O ATOM 0 H GLY A 13 2.417 -7.013 -11.979 1.00 0.00 H new ATOM 0 HA2 GLY A 13 2.927 -9.557 -10.720 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.683 -8.384 -10.338 1.00 0.00 H new ATOM 223 N ILE A 14 0.326 -9.182 -12.771 1.00 0.00 N ATOM 224 CA ILE A 14 -0.737 -9.901 -13.502 1.00 0.00 C ATOM 225 C ILE A 14 -0.173 -11.103 -14.274 1.00 0.00 C ATOM 226 O ILE A 14 -0.748 -12.195 -14.223 1.00 0.00 O ATOM 227 CB ILE A 14 -1.522 -8.927 -14.414 1.00 0.00 C ATOM 228 CG1 ILE A 14 -2.342 -7.952 -13.540 1.00 0.00 C ATOM 229 CG2 ILE A 14 -2.467 -9.664 -15.386 1.00 0.00 C ATOM 230 CD1 ILE A 14 -2.942 -6.769 -14.309 1.00 0.00 C ATOM 0 H ILE A 14 0.394 -8.193 -13.010 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.442 -10.306 -12.776 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.794 -8.382 -15.015 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.149 -8.505 -13.059 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.702 -7.567 -12.746 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.994 -8.936 -16.003 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.886 -10.328 -16.025 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.190 -10.249 -14.817 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.501 -6.134 -13.622 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.141 -6.189 -14.768 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.611 -7.141 -15.085 1.00 0.00 H new ATOM 242 N LYS A 15 0.980 -10.938 -14.941 1.00 0.00 N ATOM 243 CA LYS A 15 1.588 -12.019 -15.738 1.00 0.00 C ATOM 244 C LYS A 15 2.153 -13.180 -14.908 1.00 0.00 C ATOM 245 O LYS A 15 2.093 -14.331 -15.336 1.00 0.00 O ATOM 246 CB LYS A 15 2.622 -11.475 -16.743 1.00 0.00 C ATOM 247 CG LYS A 15 3.837 -10.770 -16.113 1.00 0.00 C ATOM 248 CD LYS A 15 4.976 -10.530 -17.118 1.00 0.00 C ATOM 249 CE LYS A 15 5.677 -11.844 -17.502 1.00 0.00 C ATOM 250 NZ LYS A 15 6.804 -11.618 -18.445 1.00 0.00 N ATOM 0 H LYS A 15 1.511 -10.067 -14.945 1.00 0.00 H new ATOM 0 HA LYS A 15 0.763 -12.453 -16.303 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.979 -12.302 -17.356 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.122 -10.775 -17.412 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.520 -9.814 -15.695 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.211 -11.372 -15.285 1.00 0.00 H new ATOM 0 HD2 LYS A 15 4.577 -10.054 -18.014 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.703 -9.841 -16.688 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.050 -12.333 -16.602 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.954 -12.521 -17.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.249 -12.528 -18.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.445 -11.175 -19.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.507 -10.992 -18.002 1.00 0.00 H new ATOM 264 N GLN A 16 2.673 -12.894 -13.714 1.00 0.00 N ATOM 265 CA GLN A 16 3.313 -13.869 -12.830 1.00 0.00 C ATOM 266 C GLN A 16 2.297 -14.714 -12.064 1.00 0.00 C ATOM 267 O GLN A 16 2.508 -15.910 -11.863 1.00 0.00 O ATOM 268 CB GLN A 16 4.240 -13.114 -11.866 1.00 0.00 C ATOM 269 CG GLN A 16 5.613 -12.802 -12.482 1.00 0.00 C ATOM 270 CD GLN A 16 6.471 -14.058 -12.650 1.00 0.00 C ATOM 271 OE1 GLN A 16 7.075 -14.561 -11.714 1.00 0.00 O ATOM 272 NE2 GLN A 16 6.548 -14.636 -13.832 1.00 0.00 N ATOM 0 H GLN A 16 2.660 -11.952 -13.324 1.00 0.00 H new ATOM 0 HA GLN A 16 3.889 -14.567 -13.437 1.00 0.00 H new ATOM 0 HB2 GLN A 16 3.762 -12.182 -11.565 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.379 -13.708 -10.963 1.00 0.00 H new ATOM 0 HG2 GLN A 16 5.474 -12.327 -13.453 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.139 -12.087 -11.849 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.053 -14.235 -14.629 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.103 -15.484 -13.950 1.00 0.00 H new ATOM 281 N TYR A 17 1.155 -14.128 -11.711 1.00 0.00 N ATOM 282 CA TYR A 17 0.038 -14.855 -11.123 1.00 0.00 C ATOM 283 C TYR A 17 -0.523 -15.950 -12.032 1.00 0.00 C ATOM 284 O TYR A 17 -0.885 -17.020 -11.538 1.00 0.00 O ATOM 285 CB TYR A 17 -1.072 -13.864 -10.765 1.00 0.00 C ATOM 286 CG TYR A 17 -0.853 -13.103 -9.468 1.00 0.00 C ATOM 287 CD1 TYR A 17 -0.551 -13.803 -8.282 1.00 0.00 C ATOM 288 CD2 TYR A 17 -0.986 -11.701 -9.438 1.00 0.00 C ATOM 289 CE1 TYR A 17 -0.351 -13.103 -7.080 1.00 0.00 C ATOM 290 CE2 TYR A 17 -0.804 -10.997 -8.233 1.00 0.00 C ATOM 291 CZ TYR A 17 -0.485 -11.699 -7.051 1.00 0.00 C ATOM 292 OH TYR A 17 -0.428 -11.050 -5.860 1.00 0.00 O ATOM 0 H TYR A 17 0.980 -13.130 -11.827 1.00 0.00 H new ATOM 0 HA TYR A 17 0.417 -15.357 -10.233 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.175 -13.146 -11.578 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.015 -14.406 -10.697 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -0.473 -14.880 -8.297 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.229 -11.164 -10.343 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.095 -13.640 -6.179 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.908 -9.922 -8.213 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.617 -10.098 -5.997 1.00 0.00 H new ATOM 302 N ARG A 18 -0.567 -15.719 -13.353 1.00 0.00 N ATOM 303 CA ARG A 18 -1.073 -16.735 -14.292 1.00 0.00 C ATOM 304 C ARG A 18 -0.174 -17.981 -14.343 1.00 0.00 C ATOM 305 O ARG A 18 -0.664 -19.104 -14.417 1.00 0.00 O ATOM 306 CB ARG A 18 -1.303 -16.119 -15.674 1.00 0.00 C ATOM 307 CG ARG A 18 -2.063 -17.072 -16.612 1.00 0.00 C ATOM 308 CD ARG A 18 -2.337 -16.428 -17.977 1.00 0.00 C ATOM 309 NE ARG A 18 -3.102 -17.339 -18.855 1.00 0.00 N ATOM 310 CZ ARG A 18 -2.626 -18.295 -19.636 1.00 0.00 C ATOM 311 NH1 ARG A 18 -1.351 -18.541 -19.745 1.00 0.00 N ATOM 312 NH2 ARG A 18 -3.439 -19.036 -20.335 1.00 0.00 N ATOM 0 H ARG A 18 -0.263 -14.850 -13.792 1.00 0.00 H new ATOM 0 HA ARG A 18 -2.037 -17.084 -13.922 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.865 -15.191 -15.568 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.342 -15.861 -16.120 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.484 -17.985 -16.750 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.007 -17.361 -16.150 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.892 -15.500 -17.839 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.393 -16.166 -18.455 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.115 -17.216 -18.859 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.678 -17.987 -19.216 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.026 -19.288 -20.359 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.446 -18.880 -20.281 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.069 -19.772 -20.936 1.00 0.00 H new ATOM 326 N GLU A 19 1.140 -17.779 -14.247 1.00 0.00 N ATOM 327 CA GLU A 19 2.162 -18.827 -14.170 1.00 0.00 C ATOM 328 C GLU A 19 2.121 -19.639 -12.859 1.00 0.00 C ATOM 329 O GLU A 19 2.401 -20.836 -12.851 1.00 0.00 O ATOM 330 CB GLU A 19 3.537 -18.150 -14.298 1.00 0.00 C ATOM 331 CG GLU A 19 4.132 -18.296 -15.702 1.00 0.00 C ATOM 332 CD GLU A 19 5.436 -17.485 -15.836 1.00 0.00 C ATOM 333 OE1 GLU A 19 6.499 -17.951 -15.359 1.00 0.00 O ATOM 334 OE2 GLU A 19 5.410 -16.378 -16.427 1.00 0.00 O ATOM 0 H GLU A 19 1.540 -16.841 -14.219 1.00 0.00 H new ATOM 0 HA GLU A 19 1.970 -19.536 -14.975 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.442 -17.092 -14.055 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.222 -18.584 -13.569 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.331 -19.348 -15.909 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.410 -17.956 -16.444 1.00 0.00 H new ATOM 341 N ALA A 20 1.786 -18.996 -11.741 1.00 0.00 N ATOM 342 CA ALA A 20 1.958 -19.530 -10.392 1.00 0.00 C ATOM 343 C ALA A 20 0.984 -20.672 -10.060 1.00 0.00 C ATOM 344 O ALA A 20 1.325 -21.538 -9.251 1.00 0.00 O ATOM 345 CB ALA A 20 1.840 -18.370 -9.396 1.00 0.00 C ATOM 0 H ALA A 20 1.376 -18.062 -11.750 1.00 0.00 H new ATOM 0 HA ALA A 20 2.947 -19.983 -10.323 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.966 -18.748 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.612 -17.630 -9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.858 -17.907 -9.492 1.00 0.00 H new ATOM 351 N LEU A 21 -0.188 -20.734 -10.712 1.00 0.00 N ATOM 352 CA LEU A 21 -1.133 -21.852 -10.570 1.00 0.00 C ATOM 353 C LEU A 21 -0.488 -23.188 -10.946 1.00 0.00 C ATOM 354 O LEU A 21 -0.844 -24.209 -10.361 1.00 0.00 O ATOM 355 CB LEU A 21 -2.441 -21.571 -11.330 1.00 0.00 C ATOM 356 CG LEU A 21 -3.578 -22.579 -11.054 1.00 0.00 C ATOM 357 CD1 LEU A 21 -4.938 -21.877 -11.111 1.00 0.00 C ATOM 358 CD2 LEU A 21 -3.628 -23.718 -12.078 1.00 0.00 C ATOM 0 H LEU A 21 -0.507 -20.008 -11.354 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.402 -21.940 -9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.789 -20.571 -11.069 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.230 -21.566 -12.399 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.372 -22.990 -10.066 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.729 -22.600 -10.915 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.972 -21.089 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.082 -21.442 -12.100 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.447 -24.393 -11.831 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.786 -23.305 -13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.687 -24.267 -12.058 1.00 0.00 H new ATOM 370 N GLU A 22 0.522 -23.202 -11.822 1.00 0.00 N ATOM 371 CA GLU A 22 1.221 -24.450 -12.172 1.00 0.00 C ATOM 372 C GLU A 22 1.935 -25.120 -10.986 1.00 0.00 C ATOM 373 O GLU A 22 2.064 -26.346 -10.944 1.00 0.00 O ATOM 374 CB GLU A 22 2.246 -24.172 -13.272 1.00 0.00 C ATOM 375 CG GLU A 22 1.593 -24.045 -14.653 1.00 0.00 C ATOM 376 CD GLU A 22 2.651 -23.914 -15.767 1.00 0.00 C ATOM 377 OE1 GLU A 22 3.279 -24.939 -16.134 1.00 0.00 O ATOM 378 OE2 GLU A 22 2.846 -22.798 -16.305 1.00 0.00 O ATOM 0 H GLU A 22 0.874 -22.373 -12.300 1.00 0.00 H new ATOM 0 HA GLU A 22 0.451 -25.143 -12.510 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.784 -23.253 -13.041 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.982 -24.976 -13.292 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.969 -24.918 -14.843 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.937 -23.175 -14.668 1.00 0.00 H new ATOM 385 N TYR A 23 2.343 -24.315 -10.009 1.00 0.00 N ATOM 386 CA TYR A 23 3.037 -24.726 -8.784 1.00 0.00 C ATOM 387 C TYR A 23 2.143 -24.721 -7.526 1.00 0.00 C ATOM 388 O TYR A 23 2.604 -25.106 -6.449 1.00 0.00 O ATOM 389 CB TYR A 23 4.250 -23.805 -8.592 1.00 0.00 C ATOM 390 CG TYR A 23 5.350 -24.005 -9.618 1.00 0.00 C ATOM 391 CD1 TYR A 23 6.362 -24.955 -9.372 1.00 0.00 C ATOM 392 CD2 TYR A 23 5.367 -23.254 -10.812 1.00 0.00 C ATOM 393 CE1 TYR A 23 7.390 -25.157 -10.312 1.00 0.00 C ATOM 394 CE2 TYR A 23 6.391 -23.458 -11.757 1.00 0.00 C ATOM 395 CZ TYR A 23 7.407 -24.408 -11.509 1.00 0.00 C ATOM 396 OH TYR A 23 8.396 -24.598 -12.426 1.00 0.00 O ATOM 0 H TYR A 23 2.193 -23.307 -10.049 1.00 0.00 H new ATOM 0 HA TYR A 23 3.345 -25.764 -8.907 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.915 -22.768 -8.632 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.663 -23.969 -7.596 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.348 -25.530 -8.458 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.595 -22.523 -11.001 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.165 -25.884 -10.118 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.400 -22.887 -12.674 1.00 0.00 H new ATOM 0 HH TYR A 23 8.253 -24.001 -13.190 1.00 0.00 H new ATOM 406 N THR A 24 0.872 -24.312 -7.640 1.00 0.00 N ATOM 407 CA THR A 24 -0.020 -24.064 -6.483 1.00 0.00 C ATOM 408 C THR A 24 -1.437 -24.631 -6.618 1.00 0.00 C ATOM 409 O THR A 24 -2.066 -24.898 -5.593 1.00 0.00 O ATOM 410 CB THR A 24 -0.135 -22.562 -6.185 1.00 0.00 C ATOM 411 OG1 THR A 24 -0.575 -21.883 -7.323 1.00 0.00 O ATOM 412 CG2 THR A 24 1.172 -21.904 -5.747 1.00 0.00 C ATOM 0 H THR A 24 0.424 -24.141 -8.540 1.00 0.00 H new ATOM 0 HA THR A 24 0.462 -24.598 -5.665 1.00 0.00 H new ATOM 0 HB THR A 24 -0.840 -22.492 -5.357 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.185 -21.716 -7.919 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.000 -20.844 -5.557 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.533 -22.382 -4.836 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.917 -22.015 -6.535 1.00 0.00 H new ATOM 420 N HIS A 25 -1.934 -24.859 -7.842 1.00 0.00 N ATOM 421 CA HIS A 25 -3.222 -25.500 -8.189 1.00 0.00 C ATOM 422 C HIS A 25 -4.407 -25.143 -7.261 1.00 0.00 C ATOM 423 O HIS A 25 -5.149 -26.020 -6.813 1.00 0.00 O ATOM 424 CB HIS A 25 -2.994 -27.013 -8.376 1.00 0.00 C ATOM 425 CG HIS A 25 -2.245 -27.338 -9.648 1.00 0.00 C ATOM 426 ND1 HIS A 25 -2.822 -27.715 -10.847 1.00 0.00 N ATOM 427 CD2 HIS A 25 -0.893 -27.263 -9.846 1.00 0.00 C ATOM 428 CE1 HIS A 25 -1.838 -27.868 -11.756 1.00 0.00 C ATOM 429 NE2 HIS A 25 -0.654 -27.609 -11.162 1.00 0.00 N ATOM 0 H HIS A 25 -1.416 -24.584 -8.676 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.557 -25.078 -9.136 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -2.437 -27.400 -7.523 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.957 -27.523 -8.386 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.152 -26.985 -9.111 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.975 -28.151 -12.789 1.00 0.00 H new ATOM 0 HE2 HIS A 25 0.262 -27.660 -11.609 1.00 0.00 H new ATOM 438 N ASN A 26 -4.584 -23.851 -6.964 1.00 0.00 N ATOM 439 CA ASN A 26 -5.610 -23.333 -6.045 1.00 0.00 C ATOM 440 C ASN A 26 -6.529 -22.287 -6.716 1.00 0.00 C ATOM 441 O ASN A 26 -6.075 -21.536 -7.583 1.00 0.00 O ATOM 442 CB ASN A 26 -4.904 -22.777 -4.788 1.00 0.00 C ATOM 443 CG ASN A 26 -4.954 -23.764 -3.631 1.00 0.00 C ATOM 444 OD1 ASN A 26 -5.843 -23.720 -2.793 1.00 0.00 O ATOM 445 ND2 ASN A 26 -4.027 -24.687 -3.547 1.00 0.00 N ATOM 0 H ASN A 26 -4.003 -23.115 -7.366 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.275 -24.146 -5.754 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -3.865 -22.547 -5.026 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.377 -21.842 -4.489 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.049 -25.364 -2.785 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.283 -24.728 -4.244 1.00 0.00 H new ATOM 452 N PRO A 27 -7.804 -22.169 -6.284 1.00 0.00 N ATOM 453 CA PRO A 27 -8.768 -21.202 -6.832 1.00 0.00 C ATOM 454 C PRO A 27 -8.502 -19.751 -6.390 1.00 0.00 C ATOM 455 O PRO A 27 -9.196 -18.828 -6.817 1.00 0.00 O ATOM 456 CB PRO A 27 -10.134 -21.692 -6.333 1.00 0.00 C ATOM 457 CG PRO A 27 -9.804 -22.321 -4.981 1.00 0.00 C ATOM 458 CD PRO A 27 -8.442 -22.962 -5.236 1.00 0.00 C ATOM 0 HA PRO A 27 -8.699 -21.164 -7.919 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.845 -20.872 -6.233 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.577 -22.416 -7.017 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.759 -21.575 -4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -10.550 -23.058 -4.684 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.838 -22.965 -4.329 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.554 -24.000 -5.548 1.00 0.00 H new ATOM 466 N VAL A 28 -7.505 -19.528 -5.527 1.00 0.00 N ATOM 467 CA VAL A 28 -7.189 -18.232 -4.923 1.00 0.00 C ATOM 468 C VAL A 28 -6.462 -17.328 -5.916 1.00 0.00 C ATOM 469 O VAL A 28 -6.686 -16.124 -5.936 1.00 0.00 O ATOM 470 CB VAL A 28 -6.375 -18.458 -3.641 1.00 0.00 C ATOM 471 CG1 VAL A 28 -6.198 -17.159 -2.871 1.00 0.00 C ATOM 472 CG2 VAL A 28 -7.045 -19.458 -2.680 1.00 0.00 C ATOM 0 H VAL A 28 -6.876 -20.270 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.112 -17.718 -4.657 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.417 -18.856 -3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.618 -17.348 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.673 -16.435 -3.494 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.176 -16.762 -2.598 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.426 -19.579 -1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.026 -19.082 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.158 -20.421 -3.178 1.00 0.00 H new ATOM 482 N LEU A 29 -5.665 -17.887 -6.828 1.00 0.00 N ATOM 483 CA LEU A 29 -5.017 -17.132 -7.898 1.00 0.00 C ATOM 484 C LEU A 29 -6.048 -16.571 -8.899 1.00 0.00 C ATOM 485 O LEU A 29 -5.921 -15.428 -9.344 1.00 0.00 O ATOM 486 CB LEU A 29 -3.954 -18.028 -8.549 1.00 0.00 C ATOM 487 CG LEU A 29 -2.895 -18.531 -7.540 1.00 0.00 C ATOM 488 CD1 LEU A 29 -3.158 -19.965 -7.077 1.00 0.00 C ATOM 489 CD2 LEU A 29 -1.502 -18.473 -8.153 1.00 0.00 C ATOM 0 H LEU A 29 -5.450 -18.884 -6.844 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.517 -16.253 -7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.442 -18.885 -9.014 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.457 -17.474 -9.345 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.962 -17.871 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.385 -20.267 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.133 -20.018 -6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.144 -20.634 -7.938 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.770 -18.831 -7.428 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.469 -19.102 -9.042 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.268 -17.444 -8.427 1.00 0.00 H new ATOM 501 N ALA A 30 -7.142 -17.311 -9.123 1.00 0.00 N ATOM 502 CA ALA A 30 -8.366 -16.874 -9.810 1.00 0.00 C ATOM 503 C ALA A 30 -9.254 -15.900 -8.982 1.00 0.00 C ATOM 504 O ALA A 30 -10.405 -15.643 -9.344 1.00 0.00 O ATOM 505 CB ALA A 30 -9.133 -18.129 -10.253 1.00 0.00 C ATOM 0 H ALA A 30 -7.201 -18.281 -8.814 1.00 0.00 H new ATOM 0 HA ALA A 30 -8.077 -16.279 -10.676 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.048 -17.834 -10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -8.511 -18.716 -10.928 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.385 -18.729 -9.379 1.00 0.00 H new ATOM 511 N LYS A 31 -8.715 -15.335 -7.891 1.00 0.00 N ATOM 512 CA LYS A 31 -9.269 -14.239 -7.084 1.00 0.00 C ATOM 513 C LYS A 31 -8.260 -13.093 -6.940 1.00 0.00 C ATOM 514 O LYS A 31 -8.621 -11.934 -7.114 1.00 0.00 O ATOM 515 CB LYS A 31 -9.707 -14.793 -5.711 1.00 0.00 C ATOM 516 CG LYS A 31 -10.647 -13.857 -4.931 1.00 0.00 C ATOM 517 CD LYS A 31 -12.115 -13.911 -5.384 1.00 0.00 C ATOM 518 CE LYS A 31 -12.772 -15.245 -4.995 1.00 0.00 C ATOM 519 NZ LYS A 31 -14.223 -15.261 -5.317 1.00 0.00 N ATOM 0 H LYS A 31 -7.818 -15.655 -7.525 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.142 -13.824 -7.588 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.205 -15.751 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.820 -14.985 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.596 -14.111 -3.872 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.286 -12.833 -5.031 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.667 -13.086 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.169 -13.778 -6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.275 -16.061 -5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.635 -15.420 -3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.630 -16.177 -5.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.702 -14.498 -4.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.353 -15.119 -6.339 1.00 0.00 H new ATOM 533 N ILE A 32 -6.982 -13.419 -6.734 1.00 0.00 N ATOM 534 CA ILE A 32 -5.880 -12.452 -6.628 1.00 0.00 C ATOM 535 C ILE A 32 -5.709 -11.657 -7.925 1.00 0.00 C ATOM 536 O ILE A 32 -5.947 -10.449 -7.934 1.00 0.00 O ATOM 537 CB ILE A 32 -4.565 -13.136 -6.191 1.00 0.00 C ATOM 538 CG1 ILE A 32 -4.622 -13.831 -4.811 1.00 0.00 C ATOM 539 CG2 ILE A 32 -3.483 -12.057 -6.105 1.00 0.00 C ATOM 540 CD1 ILE A 32 -3.551 -14.927 -4.672 1.00 0.00 C ATOM 0 H ILE A 32 -6.674 -14.386 -6.633 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.141 -11.739 -5.847 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.364 -13.911 -6.930 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.484 -13.088 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.610 -14.269 -4.666 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.541 -12.510 -5.798 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.359 -11.588 -7.081 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.778 -11.303 -5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.628 -15.388 -3.687 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.704 -15.685 -5.441 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.561 -14.486 -4.789 1.00 0.00 H new ATOM 552 N LEU A 33 -5.346 -12.309 -9.036 1.00 0.00 N ATOM 553 CA LEU A 33 -5.170 -11.598 -10.309 1.00 0.00 C ATOM 554 C LEU A 33 -6.519 -11.192 -10.920 1.00 0.00 C ATOM 555 O LEU A 33 -6.578 -10.250 -11.706 1.00 0.00 O ATOM 556 CB LEU A 33 -4.249 -12.397 -11.251 1.00 0.00 C ATOM 557 CG LEU A 33 -4.949 -13.321 -12.266 1.00 0.00 C ATOM 558 CD1 LEU A 33 -5.063 -12.674 -13.647 1.00 0.00 C ATOM 559 CD2 LEU A 33 -4.206 -14.645 -12.451 1.00 0.00 C ATOM 0 H LEU A 33 -5.170 -13.313 -9.081 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.657 -10.653 -10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.628 -11.691 -11.802 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.579 -13.003 -10.642 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.940 -13.501 -11.848 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.563 -13.361 -14.330 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.641 -11.753 -13.571 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.067 -12.446 -14.026 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.737 -15.262 -13.175 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.197 -14.448 -12.813 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.154 -15.169 -11.497 1.00 0.00 H new ATOM 571 N GLU A 34 -7.609 -11.856 -10.519 1.00 0.00 N ATOM 572 CA GLU A 34 -8.966 -11.439 -10.867 1.00 0.00 C ATOM 573 C GLU A 34 -9.264 -10.029 -10.329 1.00 0.00 C ATOM 574 O GLU A 34 -9.863 -9.219 -11.035 1.00 0.00 O ATOM 575 CB GLU A 34 -9.975 -12.475 -10.354 1.00 0.00 C ATOM 576 CG GLU A 34 -11.428 -12.253 -10.799 1.00 0.00 C ATOM 577 CD GLU A 34 -11.656 -12.384 -12.322 1.00 0.00 C ATOM 578 OE1 GLU A 34 -10.940 -13.161 -13.001 1.00 0.00 O ATOM 579 OE2 GLU A 34 -12.595 -11.736 -12.844 1.00 0.00 O ATOM 0 H GLU A 34 -7.572 -12.698 -9.944 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.057 -11.387 -11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.657 -13.463 -10.687 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.943 -12.480 -9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.066 -12.972 -10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.745 -11.260 -10.480 1.00 0.00 H new ATOM 586 N ASP A 35 -8.785 -9.689 -9.126 1.00 0.00 N ATOM 587 CA ASP A 35 -8.805 -8.314 -8.634 1.00 0.00 C ATOM 588 C ASP A 35 -7.830 -7.397 -9.369 1.00 0.00 C ATOM 589 O ASP A 35 -8.249 -6.331 -9.821 1.00 0.00 O ATOM 590 CB ASP A 35 -8.482 -8.275 -7.145 1.00 0.00 C ATOM 591 CG ASP A 35 -9.458 -9.000 -6.213 1.00 0.00 C ATOM 592 OD1 ASP A 35 -10.666 -9.126 -6.535 1.00 0.00 O ATOM 593 OD2 ASP A 35 -8.990 -9.371 -5.110 1.00 0.00 O ATOM 0 H ASP A 35 -8.376 -10.358 -8.473 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.814 -7.946 -8.819 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.490 -8.704 -7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.427 -7.231 -6.835 1.00 0.00 H new ATOM 598 N GLU A 36 -6.565 -7.801 -9.559 1.00 0.00 N ATOM 599 CA GLU A 36 -5.604 -6.996 -10.328 1.00 0.00 C ATOM 600 C GLU A 36 -6.103 -6.626 -11.743 1.00 0.00 C ATOM 601 O GLU A 36 -5.675 -5.616 -12.303 1.00 0.00 O ATOM 602 CB GLU A 36 -4.252 -7.711 -10.444 1.00 0.00 C ATOM 603 CG GLU A 36 -3.578 -8.152 -9.138 1.00 0.00 C ATOM 604 CD GLU A 36 -3.147 -7.038 -8.184 1.00 0.00 C ATOM 605 OE1 GLU A 36 -3.271 -5.816 -8.450 1.00 0.00 O ATOM 606 OE2 GLU A 36 -2.674 -7.348 -7.064 1.00 0.00 O ATOM 0 H GLU A 36 -6.185 -8.674 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 36 -5.490 -6.069 -9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.389 -8.594 -11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.565 -7.050 -10.973 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.264 -8.811 -8.606 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.699 -8.744 -9.391 1.00 0.00 H new ATOM 613 N GLU A 37 -7.043 -7.396 -12.306 1.00 0.00 N ATOM 614 CA GLU A 37 -7.637 -7.130 -13.623 1.00 0.00 C ATOM 615 C GLU A 37 -8.551 -5.893 -13.605 1.00 0.00 C ATOM 616 O GLU A 37 -8.583 -5.131 -14.575 1.00 0.00 O ATOM 617 CB GLU A 37 -8.410 -8.367 -14.111 1.00 0.00 C ATOM 618 CG GLU A 37 -8.703 -8.301 -15.616 1.00 0.00 C ATOM 619 CD GLU A 37 -9.406 -9.576 -16.117 1.00 0.00 C ATOM 620 OE1 GLU A 37 -8.713 -10.570 -16.445 1.00 0.00 O ATOM 621 OE2 GLU A 37 -10.658 -9.582 -16.222 1.00 0.00 O ATOM 0 H GLU A 37 -7.417 -8.231 -11.855 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.824 -6.917 -14.317 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.833 -9.265 -13.892 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -9.348 -8.449 -13.562 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.329 -7.434 -15.827 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.770 -8.161 -16.162 1.00 0.00 H new ATOM 628 N LYS A 38 -9.249 -5.652 -12.483 1.00 0.00 N ATOM 629 CA LYS A 38 -9.958 -4.387 -12.239 1.00 0.00 C ATOM 630 C LYS A 38 -8.997 -3.288 -11.821 1.00 0.00 C ATOM 631 O LYS A 38 -9.138 -2.181 -12.320 1.00 0.00 O ATOM 632 CB LYS A 38 -11.041 -4.487 -11.152 1.00 0.00 C ATOM 633 CG LYS A 38 -12.311 -5.261 -11.541 1.00 0.00 C ATOM 634 CD LYS A 38 -12.222 -6.767 -11.286 1.00 0.00 C ATOM 635 CE LYS A 38 -12.130 -7.105 -9.789 1.00 0.00 C ATOM 636 NZ LYS A 38 -13.468 -7.259 -9.161 1.00 0.00 N ATOM 0 H LYS A 38 -9.337 -6.326 -11.723 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.436 -4.152 -13.190 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.604 -4.961 -10.273 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.329 -3.477 -10.859 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.156 -4.857 -10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.518 -5.093 -12.598 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.097 -7.257 -11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.349 -7.169 -11.800 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.563 -8.027 -9.661 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.578 -6.318 -9.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.354 -7.486 -8.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.001 -6.371 -9.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.986 -8.027 -9.633 1.00 0.00 H new ATOM 650 N HIS A 39 -8.038 -3.561 -10.928 1.00 0.00 N ATOM 651 CA HIS A 39 -7.227 -2.567 -10.230 1.00 0.00 C ATOM 652 C HIS A 39 -6.597 -1.504 -11.138 1.00 0.00 C ATOM 653 O HIS A 39 -6.670 -0.315 -10.825 1.00 0.00 O ATOM 654 CB HIS A 39 -6.147 -3.326 -9.472 1.00 0.00 C ATOM 655 CG HIS A 39 -6.554 -4.017 -8.201 1.00 0.00 C ATOM 656 ND1 HIS A 39 -5.637 -4.448 -7.243 1.00 0.00 N ATOM 657 CD2 HIS A 39 -7.822 -4.279 -7.766 1.00 0.00 C ATOM 658 CE1 HIS A 39 -6.381 -4.948 -6.243 1.00 0.00 C ATOM 659 NE2 HIS A 39 -7.691 -4.841 -6.520 1.00 0.00 N ATOM 0 H HIS A 39 -7.800 -4.517 -10.665 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.883 -2.003 -9.566 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.726 -4.075 -10.143 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -5.346 -2.626 -9.234 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -4.620 -4.395 -7.291 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -8.743 -4.083 -8.296 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -5.980 -5.378 -5.337 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.457 -5.128 -5.910 1.00 0.00 H new ATOM 667 N ILE A 40 -6.026 -1.915 -12.276 1.00 0.00 N ATOM 668 CA ILE A 40 -5.436 -0.982 -13.252 1.00 0.00 C ATOM 669 C ILE A 40 -6.485 -0.036 -13.854 1.00 0.00 C ATOM 670 O ILE A 40 -6.230 1.161 -13.967 1.00 0.00 O ATOM 671 CB ILE A 40 -4.650 -1.757 -14.340 1.00 0.00 C ATOM 672 CG1 ILE A 40 -3.410 -2.423 -13.695 1.00 0.00 C ATOM 673 CG2 ILE A 40 -4.245 -0.834 -15.505 1.00 0.00 C ATOM 674 CD1 ILE A 40 -2.526 -3.223 -14.663 1.00 0.00 C ATOM 0 H ILE A 40 -5.958 -2.896 -12.548 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.727 -0.346 -12.721 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.294 -2.531 -14.759 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.802 -1.648 -13.227 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.746 -3.088 -12.899 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.696 -1.409 -16.250 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.140 -0.410 -15.961 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.613 -0.029 -15.129 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.684 -3.651 -14.118 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.112 -4.024 -15.113 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.153 -2.562 -15.446 1.00 0.00 H new ATOM 686 N GLU A 41 -7.677 -0.527 -14.201 1.00 0.00 N ATOM 687 CA GLU A 41 -8.787 0.320 -14.661 1.00 0.00 C ATOM 688 C GLU A 41 -9.379 1.160 -13.515 1.00 0.00 C ATOM 689 O GLU A 41 -9.676 2.339 -13.686 1.00 0.00 O ATOM 690 CB GLU A 41 -9.852 -0.559 -15.338 1.00 0.00 C ATOM 691 CG GLU A 41 -10.920 0.279 -16.052 1.00 0.00 C ATOM 692 CD GLU A 41 -11.843 -0.611 -16.907 1.00 0.00 C ATOM 693 OE1 GLU A 41 -12.866 -1.118 -16.384 1.00 0.00 O ATOM 694 OE2 GLU A 41 -11.556 -0.805 -18.115 1.00 0.00 O ATOM 0 H GLU A 41 -7.903 -1.521 -14.172 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.406 1.033 -15.392 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.371 -1.222 -16.057 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.329 -1.192 -14.590 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.513 0.822 -15.316 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.439 1.024 -16.686 1.00 0.00 H new ATOM 701 N TRP A 42 -9.481 0.579 -12.322 1.00 0.00 N ATOM 702 CA TRP A 42 -9.979 1.188 -11.086 1.00 0.00 C ATOM 703 C TRP A 42 -9.210 2.421 -10.585 1.00 0.00 C ATOM 704 O TRP A 42 -9.805 3.224 -9.869 1.00 0.00 O ATOM 705 CB TRP A 42 -10.024 0.083 -10.015 1.00 0.00 C ATOM 706 CG TRP A 42 -11.298 -0.701 -9.886 1.00 0.00 C ATOM 707 CD1 TRP A 42 -12.352 -0.656 -10.732 1.00 0.00 C ATOM 708 CD2 TRP A 42 -11.660 -1.687 -8.864 1.00 0.00 C ATOM 709 NE1 TRP A 42 -13.359 -1.480 -10.274 1.00 0.00 N ATOM 710 CE2 TRP A 42 -12.985 -2.152 -9.130 1.00 0.00 C ATOM 711 CE3 TRP A 42 -10.996 -2.265 -7.759 1.00 0.00 C ATOM 712 CZ2 TRP A 42 -13.622 -3.113 -8.330 1.00 0.00 C ATOM 713 CZ3 TRP A 42 -11.619 -3.238 -6.955 1.00 0.00 C ATOM 714 CH2 TRP A 42 -12.933 -3.657 -7.232 1.00 0.00 C ATOM 0 H TRP A 42 -9.201 -0.392 -12.181 1.00 0.00 H new ATOM 0 HA TRP A 42 -10.968 1.592 -11.303 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.216 -0.619 -10.221 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.811 0.541 -9.049 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.398 -0.063 -11.633 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -14.268 -1.580 -10.726 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.988 -1.954 -7.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -14.629 -3.431 -8.555 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.085 -3.666 -6.120 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -13.411 -4.394 -6.603 1.00 0.00 H new ATOM 725 N LEU A 43 -7.947 2.622 -10.979 1.00 0.00 N ATOM 726 CA LEU A 43 -7.219 3.896 -10.794 1.00 0.00 C ATOM 727 C LEU A 43 -7.218 4.817 -12.034 1.00 0.00 C ATOM 728 O LEU A 43 -6.940 6.005 -11.899 1.00 0.00 O ATOM 729 CB LEU A 43 -5.815 3.626 -10.231 1.00 0.00 C ATOM 730 CG LEU A 43 -4.823 3.119 -11.288 1.00 0.00 C ATOM 731 CD1 LEU A 43 -3.886 4.224 -11.781 1.00 0.00 C ATOM 732 CD2 LEU A 43 -3.966 2.000 -10.715 1.00 0.00 C ATOM 0 H LEU A 43 -7.391 1.902 -11.440 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.774 4.475 -10.056 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.426 4.543 -9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.888 2.891 -9.429 1.00 0.00 H new ATOM 0 HG LEU A 43 -5.421 2.761 -12.126 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.204 3.816 -12.527 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.473 5.027 -12.227 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.313 4.617 -10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.268 1.651 -11.476 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.409 2.372 -9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.606 1.175 -10.404 1.00 0.00 H new ATOM 744 N GLU A 44 -7.558 4.314 -13.224 1.00 0.00 N ATOM 745 CA GLU A 44 -7.577 5.051 -14.491 1.00 0.00 C ATOM 746 C GLU A 44 -8.937 5.705 -14.778 1.00 0.00 C ATOM 747 O GLU A 44 -8.977 6.846 -15.237 1.00 0.00 O ATOM 748 CB GLU A 44 -7.224 4.048 -15.606 1.00 0.00 C ATOM 749 CG GLU A 44 -5.807 4.205 -16.177 1.00 0.00 C ATOM 750 CD GLU A 44 -5.812 5.010 -17.492 1.00 0.00 C ATOM 751 OE1 GLU A 44 -5.920 6.258 -17.448 1.00 0.00 O ATOM 752 OE2 GLU A 44 -5.712 4.398 -18.584 1.00 0.00 O ATOM 0 H GLU A 44 -7.840 3.340 -13.336 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.856 5.867 -14.439 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.335 3.036 -15.216 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.944 4.158 -16.417 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.173 4.706 -15.446 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.374 3.220 -16.354 1.00 0.00 H new ATOM 759 N THR A 45 -10.055 5.047 -14.447 1.00 0.00 N ATOM 760 CA THR A 45 -11.405 5.618 -14.517 1.00 0.00 C ATOM 761 C THR A 45 -11.509 6.925 -13.723 1.00 0.00 C ATOM 762 O THR A 45 -12.138 7.891 -14.157 1.00 0.00 O ATOM 763 CB THR A 45 -12.437 4.590 -14.033 1.00 0.00 C ATOM 764 OG1 THR A 45 -12.481 3.515 -14.947 1.00 0.00 O ATOM 765 CG2 THR A 45 -13.860 5.136 -13.917 1.00 0.00 C ATOM 0 H THR A 45 -10.046 4.082 -14.116 1.00 0.00 H new ATOM 0 HA THR A 45 -11.617 5.862 -15.558 1.00 0.00 H new ATOM 0 HB THR A 45 -12.111 4.292 -13.036 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.695 2.944 -14.818 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.526 4.346 -13.569 1.00 0.00 H new ATOM 0 HG22 THR A 45 -13.876 5.963 -13.207 1.00 0.00 H new ATOM 0 HG23 THR A 45 -14.195 5.489 -14.892 1.00 0.00 H new ATOM 773 N ILE A 46 -10.812 6.972 -12.583 1.00 0.00 N ATOM 774 CA ILE A 46 -10.689 8.127 -11.679 1.00 0.00 C ATOM 775 C ILE A 46 -10.147 9.380 -12.383 1.00 0.00 C ATOM 776 O ILE A 46 -10.550 10.503 -12.074 1.00 0.00 O ATOM 777 CB ILE A 46 -9.775 7.758 -10.484 1.00 0.00 C ATOM 778 CG1 ILE A 46 -10.064 6.369 -9.875 1.00 0.00 C ATOM 779 CG2 ILE A 46 -9.839 8.819 -9.378 1.00 0.00 C ATOM 780 CD1 ILE A 46 -11.492 6.159 -9.348 1.00 0.00 C ATOM 0 H ILE A 46 -10.290 6.164 -12.245 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.692 8.369 -11.328 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.771 7.721 -10.906 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.860 5.611 -10.631 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.365 6.199 -9.056 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.186 8.527 -8.556 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -9.514 9.780 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.863 8.905 -9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.586 5.152 -8.943 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.701 6.887 -8.564 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -12.204 6.290 -10.163 1.00 0.00 H new ATOM 792 N LEU A 47 -9.248 9.185 -13.351 1.00 0.00 N ATOM 793 CA LEU A 47 -8.584 10.244 -14.112 1.00 0.00 C ATOM 794 C LEU A 47 -9.479 10.884 -15.196 1.00 0.00 C ATOM 795 O LEU A 47 -9.084 11.878 -15.811 1.00 0.00 O ATOM 796 CB LEU A 47 -7.279 9.702 -14.733 1.00 0.00 C ATOM 797 CG LEU A 47 -6.352 8.940 -13.766 1.00 0.00 C ATOM 798 CD1 LEU A 47 -5.131 8.418 -14.518 1.00 0.00 C ATOM 799 CD2 LEU A 47 -5.871 9.799 -12.595 1.00 0.00 C ATOM 0 H LEU A 47 -8.952 8.251 -13.636 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.357 11.043 -13.406 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.538 9.039 -15.559 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.724 10.539 -15.157 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.942 8.119 -13.358 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.481 7.881 -13.828 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.453 7.744 -15.312 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.586 9.256 -14.952 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.222 9.205 -11.951 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.317 10.657 -12.976 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.730 10.148 -12.022 1.00 0.00 H new ATOM 811 N GLY A 48 -10.665 10.320 -15.455 1.00 0.00 N ATOM 812 CA GLY A 48 -11.604 10.778 -16.488 1.00 0.00 C ATOM 813 C GLY A 48 -11.318 10.235 -17.898 1.00 0.00 C ATOM 814 O GLY A 48 -11.912 10.692 -18.875 1.00 0.00 O ATOM 0 H GLY A 48 -11.008 9.510 -14.938 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.613 10.486 -16.198 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.584 11.867 -16.521 1.00 0.00 H new HETATM 818 N NH2 A 49 -10.413 9.272 -18.048 1.00 0.00 N TER 821 NH2 A 49 HETATM 822 C ACE B 0 10.989 -18.958 -5.658 1.00 0.00 C HETATM 823 O ACE B 0 10.113 -18.357 -5.048 1.00 0.00 O HETATM 824 CH3 ACE B 0 10.927 -20.459 -5.799 1.00 0.00 C HETATM 0 H1 ACE B 0 10.887 -20.724 -6.856 1.00 0.00 H new HETATM 0 H2 ACE B 0 11.814 -20.904 -5.347 1.00 0.00 H new HETATM 0 H3 ACE B 0 10.036 -20.835 -5.296 1.00 0.00 H new ATOM 828 N ASP B 1 12.022 -18.345 -6.234 1.00 0.00 N ATOM 829 CA ASP B 1 12.303 -16.899 -6.139 1.00 0.00 C ATOM 830 C ASP B 1 11.144 -15.997 -6.608 1.00 0.00 C ATOM 831 O ASP B 1 10.935 -14.900 -6.086 1.00 0.00 O ATOM 832 CB ASP B 1 13.570 -16.608 -6.951 1.00 0.00 C ATOM 833 CG ASP B 1 14.103 -15.184 -6.716 1.00 0.00 C ATOM 834 OD1 ASP B 1 14.577 -14.893 -5.592 1.00 0.00 O ATOM 835 OD2 ASP B 1 14.086 -14.366 -7.668 1.00 0.00 O ATOM 0 H ASP B 1 12.709 -18.847 -6.796 1.00 0.00 H new ATOM 0 HA ASP B 1 12.439 -16.659 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP B 1 14.342 -17.330 -6.686 1.00 0.00 H new ATOM 0 HB3 ASP B 1 13.358 -16.743 -8.012 1.00 0.00 H new ATOM 840 N TYR B 2 10.352 -16.495 -7.559 1.00 0.00 N ATOM 841 CA TYR B 2 9.133 -15.852 -8.065 1.00 0.00 C ATOM 842 C TYR B 2 8.107 -15.519 -6.969 1.00 0.00 C ATOM 843 O TYR B 2 7.433 -14.492 -7.037 1.00 0.00 O ATOM 844 CB TYR B 2 8.495 -16.739 -9.145 1.00 0.00 C ATOM 845 CG TYR B 2 7.800 -18.000 -8.659 1.00 0.00 C ATOM 846 CD1 TYR B 2 8.539 -19.175 -8.417 1.00 0.00 C ATOM 847 CD2 TYR B 2 6.403 -17.996 -8.458 1.00 0.00 C ATOM 848 CE1 TYR B 2 7.895 -20.331 -7.937 1.00 0.00 C ATOM 849 CE2 TYR B 2 5.753 -19.154 -7.991 1.00 0.00 C ATOM 850 CZ TYR B 2 6.500 -20.318 -7.711 1.00 0.00 C ATOM 851 OH TYR B 2 5.879 -21.412 -7.197 1.00 0.00 O ATOM 0 H TYR B 2 10.546 -17.387 -8.015 1.00 0.00 H new ATOM 0 HA TYR B 2 9.435 -14.895 -8.490 1.00 0.00 H new ATOM 0 HB2 TYR B 2 7.770 -16.139 -9.695 1.00 0.00 H new ATOM 0 HB3 TYR B 2 9.272 -17.028 -9.853 1.00 0.00 H new ATOM 0 HD1 TYR B 2 9.603 -19.189 -8.600 1.00 0.00 H new ATOM 0 HD2 TYR B 2 5.832 -17.103 -8.663 1.00 0.00 H new ATOM 0 HE1 TYR B 2 8.466 -21.227 -7.742 1.00 0.00 H new ATOM 0 HE2 TYR B 2 4.683 -19.152 -7.847 1.00 0.00 H new ATOM 0 HH TYR B 2 4.920 -21.231 -7.105 1.00 0.00 H new ATOM 861 N LEU B 3 8.019 -16.359 -5.933 1.00 0.00 N ATOM 862 CA LEU B 3 7.152 -16.153 -4.763 1.00 0.00 C ATOM 863 C LEU B 3 7.582 -14.918 -3.961 1.00 0.00 C ATOM 864 O LEU B 3 6.749 -14.085 -3.607 1.00 0.00 O ATOM 865 CB LEU B 3 7.172 -17.393 -3.850 1.00 0.00 C ATOM 866 CG LEU B 3 6.613 -18.664 -4.511 1.00 0.00 C ATOM 867 CD1 LEU B 3 6.948 -19.888 -3.661 1.00 0.00 C ATOM 868 CD2 LEU B 3 5.095 -18.587 -4.694 1.00 0.00 C ATOM 0 H LEU B 3 8.560 -17.222 -5.881 1.00 0.00 H new ATOM 0 HA LEU B 3 6.139 -15.992 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU B 3 8.198 -17.582 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU B 3 6.594 -17.179 -2.951 1.00 0.00 H new ATOM 0 HG LEU B 3 7.076 -18.750 -5.494 1.00 0.00 H new ATOM 0 HD11 LEU B 3 6.548 -20.783 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU B 3 8.030 -19.980 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU B 3 6.506 -19.776 -2.671 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.738 -19.503 -5.164 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.617 -18.468 -3.722 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.848 -17.735 -5.327 1.00 0.00 H new ATOM 880 N ARG B 4 8.890 -14.763 -3.712 1.00 0.00 N ATOM 881 CA ARG B 4 9.444 -13.575 -3.046 1.00 0.00 C ATOM 882 C ARG B 4 9.268 -12.317 -3.895 1.00 0.00 C ATOM 883 O ARG B 4 8.911 -11.276 -3.350 1.00 0.00 O ATOM 884 CB ARG B 4 10.908 -13.827 -2.646 1.00 0.00 C ATOM 885 CG ARG B 4 11.503 -12.639 -1.868 1.00 0.00 C ATOM 886 CD ARG B 4 12.764 -13.027 -1.084 1.00 0.00 C ATOM 887 NE ARG B 4 12.435 -13.852 0.098 1.00 0.00 N ATOM 888 CZ ARG B 4 13.280 -14.324 0.997 1.00 0.00 C ATOM 889 NH1 ARG B 4 14.565 -14.119 0.919 1.00 0.00 N ATOM 890 NH2 ARG B 4 12.841 -15.019 2.008 1.00 0.00 N ATOM 0 H ARG B 4 9.593 -15.457 -3.966 1.00 0.00 H new ATOM 0 HA ARG B 4 8.882 -13.393 -2.130 1.00 0.00 H new ATOM 0 HB2 ARG B 4 10.968 -14.728 -2.035 1.00 0.00 H new ATOM 0 HB3 ARG B 4 11.503 -14.009 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG B 4 11.744 -11.836 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG B 4 10.755 -12.249 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG B 4 13.444 -13.577 -1.735 1.00 0.00 H new ATOM 0 HD3 ARG B 4 13.287 -12.126 -0.765 1.00 0.00 H new ATOM 0 HE ARG B 4 11.450 -14.081 0.234 1.00 0.00 H new ATOM 0 HH11 ARG B 4 14.949 -13.578 0.144 1.00 0.00 H new ATOM 0 HH12 ARG B 4 15.186 -14.500 1.633 1.00 0.00 H new ATOM 0 HH21 ARG B 4 11.842 -15.200 2.107 1.00 0.00 H new ATOM 0 HH22 ARG B 4 13.496 -15.382 2.700 1.00 0.00 H new ATOM 904 N GLU B 5 9.423 -12.410 -5.217 1.00 0.00 N ATOM 905 CA GLU B 5 9.105 -11.304 -6.136 1.00 0.00 C ATOM 906 C GLU B 5 7.624 -10.874 -6.034 1.00 0.00 C ATOM 907 O GLU B 5 7.319 -9.680 -6.037 1.00 0.00 O ATOM 908 CB GLU B 5 9.489 -11.698 -7.571 1.00 0.00 C ATOM 909 CG GLU B 5 9.424 -10.513 -8.541 1.00 0.00 C ATOM 910 CD GLU B 5 9.815 -10.934 -9.970 1.00 0.00 C ATOM 911 OE1 GLU B 5 11.032 -11.004 -10.277 1.00 0.00 O ATOM 912 OE2 GLU B 5 8.907 -11.173 -10.802 1.00 0.00 O ATOM 0 H GLU B 5 9.770 -13.248 -5.684 1.00 0.00 H new ATOM 0 HA GLU B 5 9.693 -10.434 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU B 5 10.498 -12.111 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.821 -12.486 -7.919 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.416 -10.099 -8.545 1.00 0.00 H new ATOM 0 HG3 GLU B 5 10.091 -9.723 -8.197 1.00 0.00 H new ATOM 919 N LEU B 6 6.712 -11.841 -5.868 1.00 0.00 N ATOM 920 CA LEU B 6 5.280 -11.635 -5.620 1.00 0.00 C ATOM 921 C LEU B 6 5.007 -10.871 -4.309 1.00 0.00 C ATOM 922 O LEU B 6 4.313 -9.852 -4.321 1.00 0.00 O ATOM 923 CB LEU B 6 4.583 -13.018 -5.626 1.00 0.00 C ATOM 924 CG LEU B 6 3.446 -13.164 -6.643 1.00 0.00 C ATOM 925 CD1 LEU B 6 3.904 -12.973 -8.093 1.00 0.00 C ATOM 926 CD2 LEU B 6 2.863 -14.578 -6.542 1.00 0.00 C ATOM 0 H LEU B 6 6.963 -12.829 -5.904 1.00 0.00 H new ATOM 0 HA LEU B 6 4.873 -11.006 -6.412 1.00 0.00 H new ATOM 0 HB2 LEU B 6 5.331 -13.785 -5.827 1.00 0.00 H new ATOM 0 HB3 LEU B 6 4.187 -13.213 -4.630 1.00 0.00 H new ATOM 0 HG LEU B 6 2.718 -12.389 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.051 -13.089 -8.762 1.00 0.00 H new ATOM 0 HD12 LEU B 6 4.326 -11.975 -8.213 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.661 -13.719 -8.337 1.00 0.00 H new ATOM 0 HD21 LEU B 6 2.053 -14.690 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.643 -15.309 -6.756 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.478 -14.742 -5.535 1.00 0.00 H new ATOM 938 N LEU B 7 5.574 -11.334 -3.187 1.00 0.00 N ATOM 939 CA LEU B 7 5.469 -10.662 -1.882 1.00 0.00 C ATOM 940 C LEU B 7 6.038 -9.233 -1.893 1.00 0.00 C ATOM 941 O LEU B 7 5.384 -8.309 -1.403 1.00 0.00 O ATOM 942 CB LEU B 7 6.186 -11.457 -0.770 1.00 0.00 C ATOM 943 CG LEU B 7 5.294 -12.481 -0.045 1.00 0.00 C ATOM 944 CD1 LEU B 7 5.434 -13.873 -0.652 1.00 0.00 C ATOM 945 CD2 LEU B 7 5.676 -12.557 1.431 1.00 0.00 C ATOM 0 H LEU B 7 6.124 -12.193 -3.158 1.00 0.00 H new ATOM 0 HA LEU B 7 4.400 -10.612 -1.677 1.00 0.00 H new ATOM 0 HB2 LEU B 7 7.038 -11.979 -1.205 1.00 0.00 H new ATOM 0 HB3 LEU B 7 6.583 -10.755 -0.036 1.00 0.00 H new ATOM 0 HG LEU B 7 4.262 -12.148 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU B 7 4.790 -14.570 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU B 7 5.142 -13.843 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU B 7 6.470 -14.202 -0.573 1.00 0.00 H new ATOM 0 HD21 LEU B 7 5.039 -13.284 1.935 1.00 0.00 H new ATOM 0 HD22 LEU B 7 6.718 -12.863 1.522 1.00 0.00 H new ATOM 0 HD23 LEU B 7 5.544 -11.578 1.892 1.00 0.00 H new ATOM 957 N LYS B 8 7.247 -9.050 -2.442 1.00 0.00 N ATOM 958 CA LYS B 8 8.016 -7.789 -2.481 1.00 0.00 C ATOM 959 C LYS B 8 7.446 -6.757 -3.473 1.00 0.00 C ATOM 960 O LYS B 8 8.194 -6.106 -4.207 1.00 0.00 O ATOM 961 CB LYS B 8 9.507 -8.105 -2.747 1.00 0.00 C ATOM 962 CG LYS B 8 10.216 -8.872 -1.615 1.00 0.00 C ATOM 963 CD LYS B 8 10.423 -8.019 -0.354 1.00 0.00 C ATOM 964 CE LYS B 8 11.244 -8.800 0.679 1.00 0.00 C ATOM 965 NZ LYS B 8 11.479 -7.998 1.909 1.00 0.00 N ATOM 0 H LYS B 8 7.745 -9.816 -2.896 1.00 0.00 H new ATOM 0 HA LYS B 8 7.925 -7.310 -1.506 1.00 0.00 H new ATOM 0 HB2 LYS B 8 9.582 -8.688 -3.665 1.00 0.00 H new ATOM 0 HB3 LYS B 8 10.037 -7.169 -2.920 1.00 0.00 H new ATOM 0 HG2 LYS B 8 9.630 -9.755 -1.358 1.00 0.00 H new ATOM 0 HG3 LYS B 8 11.184 -9.224 -1.972 1.00 0.00 H new ATOM 0 HD2 LYS B 8 10.935 -7.092 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS B 8 9.458 -7.742 0.070 1.00 0.00 H new ATOM 0 HE2 LYS B 8 10.722 -9.721 0.938 1.00 0.00 H new ATOM 0 HE3 LYS B 8 12.201 -9.087 0.243 1.00 0.00 H new ATOM 0 HZ1 LYS B 8 12.037 -8.556 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS B 8 11.998 -7.131 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 8 10.566 -7.745 2.338 1.00 0.00 H new ATOM 979 N GLY B 9 6.121 -6.589 -3.500 1.00 0.00 N ATOM 980 CA GLY B 9 5.479 -5.572 -4.325 1.00 0.00 C ATOM 981 C GLY B 9 3.999 -5.282 -4.128 1.00 0.00 C ATOM 982 O GLY B 9 3.537 -4.195 -4.469 1.00 0.00 O ATOM 0 H GLY B 9 5.470 -7.152 -2.953 1.00 0.00 H new ATOM 0 HA2 GLY B 9 6.019 -4.638 -4.173 1.00 0.00 H new ATOM 0 HA3 GLY B 9 5.621 -5.857 -5.367 1.00 0.00 H new ATOM 986 N GLU B 10 3.254 -6.192 -3.518 1.00 0.00 N ATOM 987 CA GLU B 10 1.871 -5.926 -3.106 1.00 0.00 C ATOM 988 C GLU B 10 1.813 -4.790 -2.062 1.00 0.00 C ATOM 989 O GLU B 10 0.989 -3.884 -2.173 1.00 0.00 O ATOM 990 CB GLU B 10 1.276 -7.235 -2.568 1.00 0.00 C ATOM 991 CG GLU B 10 0.914 -8.275 -3.649 1.00 0.00 C ATOM 992 CD GLU B 10 -0.429 -7.984 -4.321 1.00 0.00 C ATOM 993 OE1 GLU B 10 -1.354 -7.316 -3.842 1.00 0.00 O ATOM 994 OE2 GLU B 10 -0.833 -8.353 -5.438 1.00 0.00 O ATOM 0 H GLU B 10 3.582 -7.131 -3.293 1.00 0.00 H new ATOM 0 HA GLU B 10 1.281 -5.586 -3.957 1.00 0.00 H new ATOM 0 HB2 GLU B 10 1.989 -7.684 -1.876 1.00 0.00 H new ATOM 0 HB3 GLU B 10 0.379 -7.001 -1.994 1.00 0.00 H new ATOM 0 HG2 GLU B 10 1.698 -8.294 -4.406 1.00 0.00 H new ATOM 0 HG3 GLU B 10 0.883 -9.267 -3.197 1.00 0.00 H new ATOM 1001 N LEU B 11 2.765 -4.752 -1.118 1.00 0.00 N ATOM 1002 CA LEU B 11 2.931 -3.728 -0.086 1.00 0.00 C ATOM 1003 C LEU B 11 3.249 -2.346 -0.690 1.00 0.00 C ATOM 1004 O LEU B 11 2.718 -1.322 -0.260 1.00 0.00 O ATOM 1005 CB LEU B 11 4.013 -4.300 0.866 1.00 0.00 C ATOM 1006 CG LEU B 11 4.942 -3.290 1.544 1.00 0.00 C ATOM 1007 CD1 LEU B 11 4.227 -2.425 2.583 1.00 0.00 C ATOM 1008 CD2 LEU B 11 6.096 -4.013 2.240 1.00 0.00 C ATOM 0 H LEU B 11 3.478 -5.478 -1.054 1.00 0.00 H new ATOM 0 HA LEU B 11 2.017 -3.529 0.473 1.00 0.00 H new ATOM 0 HB2 LEU B 11 3.511 -4.875 1.644 1.00 0.00 H new ATOM 0 HB3 LEU B 11 4.628 -5.000 0.300 1.00 0.00 H new ATOM 0 HG LEU B 11 5.309 -2.639 0.750 1.00 0.00 H new ATOM 0 HD11 LEU B 11 4.938 -1.729 3.029 1.00 0.00 H new ATOM 0 HD12 LEU B 11 3.425 -1.866 2.101 1.00 0.00 H new ATOM 0 HD13 LEU B 11 3.808 -3.063 3.361 1.00 0.00 H new ATOM 0 HD21 LEU B 11 6.748 -3.282 2.718 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.698 -4.692 2.994 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.665 -4.582 1.505 1.00 0.00 H new ATOM 1020 N GLN B 12 4.058 -2.342 -1.747 1.00 0.00 N ATOM 1021 CA GLN B 12 4.399 -1.175 -2.558 1.00 0.00 C ATOM 1022 C GLN B 12 3.185 -0.597 -3.312 1.00 0.00 C ATOM 1023 O GLN B 12 3.200 0.576 -3.690 1.00 0.00 O ATOM 1024 CB GLN B 12 5.549 -1.531 -3.519 1.00 0.00 C ATOM 1025 CG GLN B 12 6.912 -1.551 -2.807 1.00 0.00 C ATOM 1026 CD GLN B 12 8.093 -1.779 -3.758 1.00 0.00 C ATOM 1027 OE1 GLN B 12 7.959 -2.190 -4.905 1.00 0.00 O ATOM 1028 NE2 GLN B 12 9.306 -1.507 -3.323 1.00 0.00 N ATOM 0 H GLN B 12 4.515 -3.192 -2.077 1.00 0.00 H new ATOM 0 HA GLN B 12 4.730 -0.385 -1.884 1.00 0.00 H new ATOM 0 HB2 GLN B 12 5.359 -2.507 -3.965 1.00 0.00 H new ATOM 0 HB3 GLN B 12 5.577 -0.808 -4.334 1.00 0.00 H new ATOM 0 HG2 GLN B 12 7.054 -0.605 -2.284 1.00 0.00 H new ATOM 0 HG3 GLN B 12 6.907 -2.336 -2.051 1.00 0.00 H new ATOM 0 HE21 GLN B 12 9.442 -1.164 -2.372 1.00 0.00 H new ATOM 0 HE22 GLN B 12 10.110 -1.640 -3.937 1.00 0.00 H new ATOM 1037 N GLY B 13 2.110 -1.380 -3.465 1.00 0.00 N ATOM 1038 CA GLY B 13 0.803 -0.904 -3.911 1.00 0.00 C ATOM 1039 C GLY B 13 -0.029 -0.377 -2.742 1.00 0.00 C ATOM 1040 O GLY B 13 -0.509 0.756 -2.809 1.00 0.00 O ATOM 0 H GLY B 13 2.129 -2.382 -3.277 1.00 0.00 H new ATOM 0 HA2 GLY B 13 0.935 -0.114 -4.650 1.00 0.00 H new ATOM 0 HA3 GLY B 13 0.268 -1.716 -4.404 1.00 0.00 H new ATOM 1044 N ILE B 14 -0.139 -1.142 -1.641 1.00 0.00 N ATOM 1045 CA ILE B 14 -0.974 -0.780 -0.469 1.00 0.00 C ATOM 1046 C ILE B 14 -0.661 0.644 0.008 1.00 0.00 C ATOM 1047 O ILE B 14 -1.562 1.479 0.133 1.00 0.00 O ATOM 1048 CB ILE B 14 -0.788 -1.773 0.713 1.00 0.00 C ATOM 1049 CG1 ILE B 14 -1.224 -3.215 0.377 1.00 0.00 C ATOM 1050 CG2 ILE B 14 -1.567 -1.313 1.964 1.00 0.00 C ATOM 1051 CD1 ILE B 14 -0.745 -4.256 1.400 1.00 0.00 C ATOM 0 H ILE B 14 0.348 -2.032 -1.533 1.00 0.00 H new ATOM 0 HA ILE B 14 -2.012 -0.833 -0.798 1.00 0.00 H new ATOM 0 HB ILE B 14 0.284 -1.776 0.911 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -2.312 -3.252 0.316 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.840 -3.482 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE B 14 -1.415 -2.030 2.771 1.00 0.00 H new ATOM 0 HG22 ILE B 14 -1.207 -0.333 2.277 1.00 0.00 H new ATOM 0 HG23 ILE B 14 -2.630 -1.251 1.729 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -1.088 -5.246 1.100 1.00 0.00 H new ATOM 0 HD12 ILE B 14 0.344 -4.248 1.445 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.151 -4.014 2.382 1.00 0.00 H new ATOM 1063 N LYS B 15 0.625 0.930 0.253 1.00 0.00 N ATOM 1064 CA LYS B 15 1.062 2.188 0.871 1.00 0.00 C ATOM 1065 C LYS B 15 0.859 3.409 -0.035 1.00 0.00 C ATOM 1066 O LYS B 15 0.528 4.491 0.447 1.00 0.00 O ATOM 1067 CB LYS B 15 2.515 2.037 1.356 1.00 0.00 C ATOM 1068 CG LYS B 15 2.897 3.155 2.339 1.00 0.00 C ATOM 1069 CD LYS B 15 4.261 2.898 2.991 1.00 0.00 C ATOM 1070 CE LYS B 15 4.564 4.009 4.004 1.00 0.00 C ATOM 1071 NZ LYS B 15 5.856 3.782 4.703 1.00 0.00 N ATOM 0 H LYS B 15 1.391 0.295 0.028 1.00 0.00 H new ATOM 0 HA LYS B 15 0.425 2.385 1.734 1.00 0.00 H new ATOM 0 HB2 LYS B 15 2.640 1.068 1.839 1.00 0.00 H new ATOM 0 HB3 LYS B 15 3.190 2.057 0.500 1.00 0.00 H new ATOM 0 HG2 LYS B 15 2.920 4.109 1.813 1.00 0.00 H new ATOM 0 HG3 LYS B 15 2.134 3.235 3.113 1.00 0.00 H new ATOM 0 HD2 LYS B 15 4.261 1.928 3.489 1.00 0.00 H new ATOM 0 HD3 LYS B 15 5.039 2.865 2.229 1.00 0.00 H new ATOM 0 HE2 LYS B 15 4.592 4.970 3.491 1.00 0.00 H new ATOM 0 HE3 LYS B 15 3.759 4.062 4.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 6.025 4.554 5.379 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 5.820 2.876 5.213 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 6.628 3.757 4.006 1.00 0.00 H new ATOM 1085 N GLN B 16 0.999 3.227 -1.348 1.00 0.00 N ATOM 1086 CA GLN B 16 0.779 4.270 -2.352 1.00 0.00 C ATOM 1087 C GLN B 16 -0.701 4.577 -2.559 1.00 0.00 C ATOM 1088 O GLN B 16 -1.088 5.745 -2.609 1.00 0.00 O ATOM 1089 CB GLN B 16 1.436 3.839 -3.677 1.00 0.00 C ATOM 1090 CG GLN B 16 2.891 4.319 -3.812 1.00 0.00 C ATOM 1091 CD GLN B 16 2.991 5.708 -4.448 1.00 0.00 C ATOM 1092 OE1 GLN B 16 3.302 5.859 -5.622 1.00 0.00 O ATOM 1093 NE2 GLN B 16 2.725 6.778 -3.726 1.00 0.00 N ATOM 0 H GLN B 16 1.274 2.332 -1.753 1.00 0.00 H new ATOM 0 HA GLN B 16 1.237 5.191 -1.991 1.00 0.00 H new ATOM 0 HB2 GLN B 16 1.410 2.752 -3.752 1.00 0.00 H new ATOM 0 HB3 GLN B 16 0.852 4.230 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN B 16 3.357 4.339 -2.827 1.00 0.00 H new ATOM 0 HG3 GLN B 16 3.452 3.605 -4.415 1.00 0.00 H new ATOM 0 HE21 GLN B 16 2.463 6.679 -2.745 1.00 0.00 H new ATOM 0 HE22 GLN B 16 2.781 7.705 -4.148 1.00 0.00 H new ATOM 1102 N TYR B 17 -1.544 3.549 -2.608 1.00 0.00 N ATOM 1103 CA TYR B 17 -2.984 3.720 -2.770 1.00 0.00 C ATOM 1104 C TYR B 17 -3.635 4.465 -1.604 1.00 0.00 C ATOM 1105 O TYR B 17 -4.575 5.235 -1.817 1.00 0.00 O ATOM 1106 CB TYR B 17 -3.630 2.344 -2.922 1.00 0.00 C ATOM 1107 CG TYR B 17 -3.504 1.717 -4.301 1.00 0.00 C ATOM 1108 CD1 TYR B 17 -3.833 2.456 -5.458 1.00 0.00 C ATOM 1109 CD2 TYR B 17 -3.087 0.377 -4.424 1.00 0.00 C ATOM 1110 CE1 TYR B 17 -3.741 1.858 -6.728 1.00 0.00 C ATOM 1111 CE2 TYR B 17 -2.993 -0.225 -5.692 1.00 0.00 C ATOM 1112 CZ TYR B 17 -3.341 0.511 -6.846 1.00 0.00 C ATOM 1113 OH TYR B 17 -3.449 -0.113 -8.047 1.00 0.00 O ATOM 0 H TYR B 17 -1.248 2.575 -2.537 1.00 0.00 H new ATOM 0 HA TYR B 17 -3.143 4.330 -3.659 1.00 0.00 H new ATOM 0 HB2 TYR B 17 -3.184 1.669 -2.192 1.00 0.00 H new ATOM 0 HB3 TYR B 17 -4.688 2.428 -2.674 1.00 0.00 H new ATOM 0 HD1 TYR B 17 -4.156 3.483 -5.368 1.00 0.00 H new ATOM 0 HD2 TYR B 17 -2.838 -0.191 -3.540 1.00 0.00 H new ATOM 0 HE1 TYR B 17 -3.977 2.431 -7.613 1.00 0.00 H new ATOM 0 HE2 TYR B 17 -2.656 -1.247 -5.783 1.00 0.00 H new ATOM 0 HH TYR B 17 -3.207 -1.057 -7.948 1.00 0.00 H new ATOM 1123 N ARG B 18 -3.121 4.274 -0.382 1.00 0.00 N ATOM 1124 CA ARG B 18 -3.643 4.967 0.803 1.00 0.00 C ATOM 1125 C ARG B 18 -3.401 6.485 0.741 1.00 0.00 C ATOM 1126 O ARG B 18 -4.221 7.262 1.225 1.00 0.00 O ATOM 1127 CB ARG B 18 -3.069 4.345 2.089 1.00 0.00 C ATOM 1128 CG ARG B 18 -4.118 4.020 3.168 1.00 0.00 C ATOM 1129 CD ARG B 18 -4.922 5.237 3.643 1.00 0.00 C ATOM 1130 NE ARG B 18 -5.873 4.871 4.711 1.00 0.00 N ATOM 1131 CZ ARG B 18 -6.711 5.685 5.329 1.00 0.00 C ATOM 1132 NH1 ARG B 18 -6.769 6.958 5.053 1.00 0.00 N ATOM 1133 NH2 ARG B 18 -7.515 5.232 6.247 1.00 0.00 N ATOM 0 H ARG B 18 -2.343 3.644 -0.188 1.00 0.00 H new ATOM 0 HA ARG B 18 -4.724 4.832 0.817 1.00 0.00 H new ATOM 0 HB2 ARG B 18 -2.539 3.429 1.829 1.00 0.00 H new ATOM 0 HB3 ARG B 18 -2.333 5.030 2.511 1.00 0.00 H new ATOM 0 HG2 ARG B 18 -4.808 3.272 2.776 1.00 0.00 H new ATOM 0 HG3 ARG B 18 -3.616 3.572 4.025 1.00 0.00 H new ATOM 0 HD2 ARG B 18 -4.240 6.005 4.008 1.00 0.00 H new ATOM 0 HD3 ARG B 18 -5.465 5.667 2.802 1.00 0.00 H new ATOM 0 HE ARG B 18 -5.885 3.893 5.001 1.00 0.00 H new ATOM 0 HH11 ARG B 18 -6.156 7.354 4.341 1.00 0.00 H new ATOM 0 HH12 ARG B 18 -7.428 7.558 5.549 1.00 0.00 H new ATOM 0 HH21 ARG B 18 -7.501 4.242 6.494 1.00 0.00 H new ATOM 0 HH22 ARG B 18 -8.159 5.867 6.719 1.00 0.00 H new ATOM 1147 N GLU B 19 -2.298 6.908 0.119 1.00 0.00 N ATOM 1148 CA GLU B 19 -1.946 8.323 -0.084 1.00 0.00 C ATOM 1149 C GLU B 19 -2.649 8.944 -1.305 1.00 0.00 C ATOM 1150 O GLU B 19 -3.066 10.097 -1.275 1.00 0.00 O ATOM 1151 CB GLU B 19 -0.423 8.405 -0.265 1.00 0.00 C ATOM 1152 CG GLU B 19 0.110 9.839 -0.164 1.00 0.00 C ATOM 1153 CD GLU B 19 1.650 9.855 -0.192 1.00 0.00 C ATOM 1154 OE1 GLU B 19 2.242 9.779 -1.297 1.00 0.00 O ATOM 1155 OE2 GLU B 19 2.280 9.946 0.890 1.00 0.00 O ATOM 0 H GLU B 19 -1.607 6.265 -0.268 1.00 0.00 H new ATOM 0 HA GLU B 19 -2.279 8.890 0.785 1.00 0.00 H new ATOM 0 HB2 GLU B 19 0.062 7.788 0.491 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -0.154 7.990 -1.236 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -0.279 10.435 -0.989 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -0.246 10.300 0.757 1.00 0.00 H new ATOM 1162 N ALA B 20 -2.809 8.168 -2.375 1.00 0.00 N ATOM 1163 CA ALA B 20 -3.392 8.555 -3.658 1.00 0.00 C ATOM 1164 C ALA B 20 -4.820 9.112 -3.539 1.00 0.00 C ATOM 1165 O ALA B 20 -5.183 10.021 -4.285 1.00 0.00 O ATOM 1166 CB ALA B 20 -3.305 7.357 -4.610 1.00 0.00 C ATOM 0 H ALA B 20 -2.517 7.191 -2.369 1.00 0.00 H new ATOM 0 HA ALA B 20 -2.817 9.387 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -3.736 7.627 -5.574 1.00 0.00 H new ATOM 0 HB2 ALA B 20 -2.261 7.075 -4.745 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -3.856 6.517 -4.189 1.00 0.00 H new ATOM 1172 N LEU B 21 -5.599 8.650 -2.554 1.00 0.00 N ATOM 1173 CA LEU B 21 -6.922 9.198 -2.240 1.00 0.00 C ATOM 1174 C LEU B 21 -6.874 10.687 -1.878 1.00 0.00 C ATOM 1175 O LEU B 21 -7.857 11.382 -2.114 1.00 0.00 O ATOM 1176 CB LEU B 21 -7.601 8.324 -1.171 1.00 0.00 C ATOM 1177 CG LEU B 21 -9.091 8.621 -0.895 1.00 0.00 C ATOM 1178 CD1 LEU B 21 -9.814 7.338 -0.478 1.00 0.00 C ATOM 1179 CD2 LEU B 21 -9.305 9.618 0.251 1.00 0.00 C ATOM 0 H LEU B 21 -5.325 7.877 -1.947 1.00 0.00 H new ATOM 0 HA LEU B 21 -7.539 9.161 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -7.510 7.281 -1.473 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -7.050 8.435 -0.237 1.00 0.00 H new ATOM 0 HG LEU B 21 -9.480 9.041 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -10.864 7.558 -0.286 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -9.738 6.601 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -9.355 6.939 0.427 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -10.373 9.784 0.394 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -8.874 9.216 1.168 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -8.821 10.563 0.006 1.00 0.00 H new ATOM 1191 N GLU B 22 -5.750 11.233 -1.403 1.00 0.00 N ATOM 1192 CA GLU B 22 -5.685 12.689 -1.173 1.00 0.00 C ATOM 1193 C GLU B 22 -5.763 13.515 -2.470 1.00 0.00 C ATOM 1194 O GLU B 22 -6.301 14.624 -2.473 1.00 0.00 O ATOM 1195 CB GLU B 22 -4.428 13.070 -0.382 1.00 0.00 C ATOM 1196 CG GLU B 22 -4.670 13.109 1.135 1.00 0.00 C ATOM 1197 CD GLU B 22 -5.397 14.400 1.574 1.00 0.00 C ATOM 1198 OE1 GLU B 22 -6.588 14.590 1.221 1.00 0.00 O ATOM 1199 OE2 GLU B 22 -4.783 15.235 2.282 1.00 0.00 O ATOM 0 H GLU B 22 -4.900 10.717 -1.176 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.569 12.935 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -3.635 12.354 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -4.077 14.047 -0.715 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -5.261 12.242 1.430 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -3.715 13.036 1.656 1.00 0.00 H new ATOM 1206 N TYR B 23 -5.279 12.958 -3.581 1.00 0.00 N ATOM 1207 CA TYR B 23 -5.340 13.559 -4.919 1.00 0.00 C ATOM 1208 C TYR B 23 -6.646 13.262 -5.686 1.00 0.00 C ATOM 1209 O TYR B 23 -6.886 13.885 -6.724 1.00 0.00 O ATOM 1210 CB TYR B 23 -4.115 13.099 -5.728 1.00 0.00 C ATOM 1211 CG TYR B 23 -2.826 13.790 -5.318 1.00 0.00 C ATOM 1212 CD1 TYR B 23 -2.067 13.308 -4.233 1.00 0.00 C ATOM 1213 CD2 TYR B 23 -2.401 14.936 -6.019 1.00 0.00 C ATOM 1214 CE1 TYR B 23 -0.887 13.976 -3.846 1.00 0.00 C ATOM 1215 CE2 TYR B 23 -1.219 15.602 -5.640 1.00 0.00 C ATOM 1216 CZ TYR B 23 -0.459 15.124 -4.548 1.00 0.00 C ATOM 1217 OH TYR B 23 0.680 15.765 -4.169 1.00 0.00 O ATOM 0 H TYR B 23 -4.819 12.048 -3.577 1.00 0.00 H new ATOM 0 HA TYR B 23 -5.330 14.641 -4.785 1.00 0.00 H new ATOM 0 HB2 TYR B 23 -3.995 12.022 -5.610 1.00 0.00 H new ATOM 0 HB3 TYR B 23 -4.297 13.285 -6.786 1.00 0.00 H new ATOM 0 HD1 TYR B 23 -2.389 12.427 -3.698 1.00 0.00 H new ATOM 0 HD2 TYR B 23 -2.984 15.305 -6.850 1.00 0.00 H new ATOM 0 HE1 TYR B 23 -0.309 13.609 -3.011 1.00 0.00 H new ATOM 0 HE2 TYR B 23 -0.894 16.477 -6.183 1.00 0.00 H new ATOM 0 HH TYR B 23 0.833 16.535 -4.756 1.00 0.00 H new ATOM 1227 N THR B 24 -7.503 12.350 -5.202 1.00 0.00 N ATOM 1228 CA THR B 24 -8.670 11.842 -5.965 1.00 0.00 C ATOM 1229 C THR B 24 -9.996 11.814 -5.197 1.00 0.00 C ATOM 1230 O THR B 24 -11.060 11.768 -5.819 1.00 0.00 O ATOM 1231 CB THR B 24 -8.412 10.418 -6.478 1.00 0.00 C ATOM 1232 OG1 THR B 24 -8.429 9.510 -5.400 1.00 0.00 O ATOM 1233 CG2 THR B 24 -7.085 10.236 -7.222 1.00 0.00 C ATOM 0 H THR B 24 -7.413 11.940 -4.272 1.00 0.00 H new ATOM 0 HA THR B 24 -8.776 12.561 -6.777 1.00 0.00 H new ATOM 0 HB THR B 24 -9.212 10.226 -7.193 1.00 0.00 H new ATOM 0 HG1 THR B 24 -8.218 8.610 -5.727 1.00 0.00 H new ATOM 0 HG21 THR B 24 -6.989 9.200 -7.547 1.00 0.00 H new ATOM 0 HG22 THR B 24 -7.062 10.893 -8.092 1.00 0.00 H new ATOM 0 HG23 THR B 24 -6.258 10.486 -6.557 1.00 0.00 H new ATOM 1241 N HIS B 25 -9.946 11.825 -3.860 1.00 0.00 N ATOM 1242 CA HIS B 25 -11.053 11.661 -2.904 1.00 0.00 C ATOM 1243 C HIS B 25 -12.140 10.641 -3.333 1.00 0.00 C ATOM 1244 O HIS B 25 -13.338 10.906 -3.222 1.00 0.00 O ATOM 1245 CB HIS B 25 -11.553 13.046 -2.440 1.00 0.00 C ATOM 1246 CG HIS B 25 -10.723 13.553 -1.281 1.00 0.00 C ATOM 1247 ND1 HIS B 25 -11.020 13.366 0.059 1.00 0.00 N ATOM 1248 CD2 HIS B 25 -9.476 14.115 -1.353 1.00 0.00 C ATOM 1249 CE1 HIS B 25 -9.970 13.795 0.785 1.00 0.00 C ATOM 1250 NE2 HIS B 25 -9.023 14.262 -0.052 1.00 0.00 N ATOM 0 H HIS B 25 -9.058 11.960 -3.377 1.00 0.00 H new ATOM 0 HA HIS B 25 -10.666 11.162 -2.015 1.00 0.00 H new ATOM 0 HB2 HIS B 25 -11.501 13.753 -3.268 1.00 0.00 H new ATOM 0 HB3 HIS B 25 -12.600 12.980 -2.143 1.00 0.00 H new ATOM 0 HD2 HIS B 25 -8.947 14.391 -2.253 1.00 0.00 H new ATOM 0 HE1 HIS B 25 -9.899 13.769 1.862 1.00 0.00 H new ATOM 0 HE2 HIS B 25 -8.124 14.657 0.225 1.00 0.00 H new ATOM 1259 N ASN B 26 -11.721 9.469 -3.834 1.00 0.00 N ATOM 1260 CA ASN B 26 -12.599 8.416 -4.375 1.00 0.00 C ATOM 1261 C ASN B 26 -12.538 7.113 -3.539 1.00 0.00 C ATOM 1262 O ASN B 26 -11.440 6.609 -3.293 1.00 0.00 O ATOM 1263 CB ASN B 26 -12.212 8.160 -5.849 1.00 0.00 C ATOM 1264 CG ASN B 26 -13.186 8.811 -6.815 1.00 0.00 C ATOM 1265 OD1 ASN B 26 -14.119 8.187 -7.296 1.00 0.00 O ATOM 1266 ND2 ASN B 26 -13.021 10.078 -7.114 1.00 0.00 N ATOM 0 H ASN B 26 -10.733 9.219 -3.876 1.00 0.00 H new ATOM 0 HA ASN B 26 -13.633 8.757 -4.320 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -11.209 8.544 -6.032 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -12.181 7.086 -6.034 1.00 0.00 H new ATOM 0 HD21 ASN B 26 -13.672 10.541 -7.748 1.00 0.00 H new ATOM 0 HD22 ASN B 26 -12.242 10.599 -6.712 1.00 0.00 H new ATOM 1273 N PRO B 27 -13.687 6.509 -3.155 1.00 0.00 N ATOM 1274 CA PRO B 27 -13.735 5.312 -2.300 1.00 0.00 C ATOM 1275 C PRO B 27 -13.250 4.033 -3.001 1.00 0.00 C ATOM 1276 O PRO B 27 -12.910 3.046 -2.353 1.00 0.00 O ATOM 1277 CB PRO B 27 -15.202 5.184 -1.873 1.00 0.00 C ATOM 1278 CG PRO B 27 -15.965 5.796 -3.046 1.00 0.00 C ATOM 1279 CD PRO B 27 -15.043 6.929 -3.493 1.00 0.00 C ATOM 0 HA PRO B 27 -13.057 5.426 -1.455 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -15.484 4.144 -1.709 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -15.398 5.718 -0.943 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -16.131 5.071 -3.843 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -16.944 6.167 -2.743 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -15.139 7.109 -4.564 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -15.299 7.861 -2.989 1.00 0.00 H new ATOM 1287 N VAL B 28 -13.168 4.048 -4.332 1.00 0.00 N ATOM 1288 CA VAL B 28 -12.596 2.976 -5.162 1.00 0.00 C ATOM 1289 C VAL B 28 -11.162 2.648 -4.770 1.00 0.00 C ATOM 1290 O VAL B 28 -10.828 1.474 -4.650 1.00 0.00 O ATOM 1291 CB VAL B 28 -12.688 3.365 -6.645 1.00 0.00 C ATOM 1292 CG1 VAL B 28 -12.322 2.188 -7.540 1.00 0.00 C ATOM 1293 CG2 VAL B 28 -14.086 3.848 -7.065 1.00 0.00 C ATOM 0 H VAL B 28 -13.509 4.834 -4.886 1.00 0.00 H new ATOM 0 HA VAL B 28 -13.179 2.071 -4.992 1.00 0.00 H new ATOM 0 HB VAL B 28 -11.984 4.188 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -12.395 2.489 -8.585 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -11.302 1.870 -7.324 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -13.007 1.361 -7.352 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -14.079 4.106 -8.124 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -14.813 3.055 -6.890 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -14.359 4.726 -6.479 1.00 0.00 H new ATOM 1303 N LEU B 29 -10.332 3.649 -4.465 1.00 0.00 N ATOM 1304 CA LEU B 29 -8.964 3.420 -4.008 1.00 0.00 C ATOM 1305 C LEU B 29 -8.918 2.625 -2.692 1.00 0.00 C ATOM 1306 O LEU B 29 -7.991 1.836 -2.496 1.00 0.00 O ATOM 1307 CB LEU B 29 -8.226 4.761 -3.895 1.00 0.00 C ATOM 1308 CG LEU B 29 -7.821 5.372 -5.247 1.00 0.00 C ATOM 1309 CD1 LEU B 29 -8.974 6.020 -6.020 1.00 0.00 C ATOM 1310 CD2 LEU B 29 -6.768 6.447 -5.010 1.00 0.00 C ATOM 0 H LEU B 29 -10.590 4.634 -4.528 1.00 0.00 H new ATOM 0 HA LEU B 29 -8.453 2.804 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -8.862 5.470 -3.364 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -7.331 4.621 -3.289 1.00 0.00 H new ATOM 0 HG LEU B 29 -7.452 4.541 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -8.600 6.425 -6.960 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -9.739 5.272 -6.226 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -9.404 6.825 -5.424 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -6.475 6.886 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -7.179 7.223 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.895 6.002 -4.532 1.00 0.00 H new ATOM 1322 N ALA B 30 -9.942 2.753 -1.837 1.00 0.00 N ATOM 1323 CA ALA B 30 -10.084 1.914 -0.649 1.00 0.00 C ATOM 1324 C ALA B 30 -10.348 0.438 -1.008 1.00 0.00 C ATOM 1325 O ALA B 30 -9.731 -0.432 -0.405 1.00 0.00 O ATOM 1326 CB ALA B 30 -11.159 2.483 0.286 1.00 0.00 C ATOM 0 H ALA B 30 -10.689 3.438 -1.952 1.00 0.00 H new ATOM 0 HA ALA B 30 -9.134 1.929 -0.114 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -11.251 1.845 1.165 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -10.876 3.489 0.595 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -12.114 2.519 -0.237 1.00 0.00 H new ATOM 1332 N LYS B 31 -11.176 0.125 -2.019 1.00 0.00 N ATOM 1333 CA LYS B 31 -11.353 -1.249 -2.540 1.00 0.00 C ATOM 1334 C LYS B 31 -10.084 -1.818 -3.173 1.00 0.00 C ATOM 1335 O LYS B 31 -9.774 -2.988 -2.958 1.00 0.00 O ATOM 1336 CB LYS B 31 -12.498 -1.321 -3.566 1.00 0.00 C ATOM 1337 CG LYS B 31 -13.875 -0.961 -2.993 1.00 0.00 C ATOM 1338 CD LYS B 31 -14.962 -1.174 -4.058 1.00 0.00 C ATOM 1339 CE LYS B 31 -16.350 -0.864 -3.484 1.00 0.00 C ATOM 1340 NZ LYS B 31 -17.423 -1.114 -4.483 1.00 0.00 N ATOM 0 H LYS B 31 -11.746 0.819 -2.503 1.00 0.00 H new ATOM 0 HA LYS B 31 -11.599 -1.857 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -12.273 -0.648 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -12.540 -2.329 -3.978 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -14.086 -1.577 -2.119 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -13.879 0.077 -2.660 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -14.767 -0.533 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -14.932 -2.203 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -16.524 -1.478 -2.600 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -16.387 0.177 -3.162 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -18.348 -0.894 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -17.270 -0.510 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -17.403 -2.113 -4.772 1.00 0.00 H new ATOM 1354 N ILE B 32 -9.331 -0.986 -3.896 1.00 0.00 N ATOM 1355 CA ILE B 32 -8.034 -1.386 -4.480 1.00 0.00 C ATOM 1356 C ILE B 32 -7.093 -1.843 -3.363 1.00 0.00 C ATOM 1357 O ILE B 32 -6.713 -3.014 -3.327 1.00 0.00 O ATOM 1358 CB ILE B 32 -7.383 -0.301 -5.367 1.00 0.00 C ATOM 1359 CG1 ILE B 32 -8.270 0.215 -6.521 1.00 0.00 C ATOM 1360 CG2 ILE B 32 -6.153 -0.952 -6.006 1.00 0.00 C ATOM 1361 CD1 ILE B 32 -7.705 1.463 -7.219 1.00 0.00 C ATOM 0 H ILE B 32 -9.594 -0.021 -4.096 1.00 0.00 H new ATOM 0 HA ILE B 32 -8.229 -2.216 -5.159 1.00 0.00 H new ATOM 0 HB ILE B 32 -7.175 0.557 -4.728 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -8.392 -0.579 -7.257 1.00 0.00 H new ATOM 0 HG13 ILE B 32 -9.262 0.444 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -5.650 -0.228 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -5.468 -1.282 -5.224 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -6.464 -1.810 -6.602 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -8.380 1.769 -8.019 1.00 0.00 H new ATOM 0 HD12 ILE B 32 -7.609 2.272 -6.495 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -6.726 1.233 -7.639 1.00 0.00 H new ATOM 1373 N LEU B 33 -6.769 -0.960 -2.411 1.00 0.00 N ATOM 1374 CA LEU B 33 -5.877 -1.315 -1.302 1.00 0.00 C ATOM 1375 C LEU B 33 -6.465 -2.354 -0.345 1.00 0.00 C ATOM 1376 O LEU B 33 -5.703 -3.084 0.287 1.00 0.00 O ATOM 1377 CB LEU B 33 -5.359 -0.058 -0.589 1.00 0.00 C ATOM 1378 CG LEU B 33 -6.379 0.717 0.265 1.00 0.00 C ATOM 1379 CD1 LEU B 33 -6.434 0.238 1.718 1.00 0.00 C ATOM 1380 CD2 LEU B 33 -6.007 2.198 0.294 1.00 0.00 C ATOM 0 H LEU B 33 -7.110 0.001 -2.386 1.00 0.00 H new ATOM 0 HA LEU B 33 -5.015 -1.817 -1.741 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -4.527 -0.348 0.053 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.959 0.621 -1.342 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.351 0.546 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -7.171 0.824 2.267 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -6.715 -0.815 1.744 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.455 0.363 2.180 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.731 2.743 0.899 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -5.013 2.315 0.725 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -6.011 2.594 -0.721 1.00 0.00 H new ATOM 1392 N GLU B 34 -7.794 -2.465 -0.261 1.00 0.00 N ATOM 1393 CA GLU B 34 -8.432 -3.528 0.523 1.00 0.00 C ATOM 1394 C GLU B 34 -8.091 -4.903 -0.061 1.00 0.00 C ATOM 1395 O GLU B 34 -7.810 -5.840 0.687 1.00 0.00 O ATOM 1396 CB GLU B 34 -9.953 -3.329 0.645 1.00 0.00 C ATOM 1397 CG GLU B 34 -10.630 -4.408 1.502 1.00 0.00 C ATOM 1398 CD GLU B 34 -12.122 -4.091 1.717 1.00 0.00 C ATOM 1399 OE1 GLU B 34 -12.461 -3.353 2.675 1.00 0.00 O ATOM 1400 OE2 GLU B 34 -12.971 -4.595 0.941 1.00 0.00 O ATOM 0 H GLU B 34 -8.448 -1.834 -0.725 1.00 0.00 H new ATOM 0 HA GLU B 34 -8.031 -3.476 1.535 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -10.152 -2.349 1.079 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -10.396 -3.332 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -10.528 -5.379 1.017 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -10.127 -4.479 2.467 1.00 0.00 H new ATOM 1407 N ASP B 35 -8.047 -5.031 -1.390 1.00 0.00 N ATOM 1408 CA ASP B 35 -7.617 -6.278 -2.009 1.00 0.00 C ATOM 1409 C ASP B 35 -6.115 -6.538 -1.900 1.00 0.00 C ATOM 1410 O ASP B 35 -5.738 -7.630 -1.486 1.00 0.00 O ATOM 1411 CB ASP B 35 -8.046 -6.320 -3.464 1.00 0.00 C ATOM 1412 CG ASP B 35 -9.555 -6.238 -3.736 1.00 0.00 C ATOM 1413 OD1 ASP B 35 -10.368 -6.720 -2.905 1.00 0.00 O ATOM 1414 OD2 ASP B 35 -9.899 -5.733 -4.831 1.00 0.00 O ATOM 0 H ASP B 35 -8.301 -4.294 -2.047 1.00 0.00 H new ATOM 0 HA ASP B 35 -8.107 -7.074 -1.449 1.00 0.00 H new ATOM 0 HB2 ASP B 35 -7.560 -5.496 -3.987 1.00 0.00 H new ATOM 0 HB3 ASP B 35 -7.670 -7.243 -3.904 1.00 0.00 H new ATOM 1419 N GLU B 36 -5.241 -5.564 -2.182 1.00 0.00 N ATOM 1420 CA GLU B 36 -3.790 -5.739 -2.001 1.00 0.00 C ATOM 1421 C GLU B 36 -3.405 -6.133 -0.559 1.00 0.00 C ATOM 1422 O GLU B 36 -2.378 -6.781 -0.351 1.00 0.00 O ATOM 1423 CB GLU B 36 -3.050 -4.450 -2.408 1.00 0.00 C ATOM 1424 CG GLU B 36 -3.382 -3.774 -3.755 1.00 0.00 C ATOM 1425 CD GLU B 36 -3.078 -4.575 -5.020 1.00 0.00 C ATOM 1426 OE1 GLU B 36 -3.048 -5.824 -5.013 1.00 0.00 O ATOM 1427 OE2 GLU B 36 -2.887 -4.008 -6.128 1.00 0.00 O ATOM 0 H GLU B 36 -5.511 -4.646 -2.536 1.00 0.00 H new ATOM 0 HA GLU B 36 -3.489 -6.564 -2.646 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -3.221 -3.714 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -1.983 -4.673 -2.409 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -4.443 -3.524 -3.758 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -2.833 -2.834 -3.808 1.00 0.00 H new ATOM 1434 N GLU B 37 -4.246 -5.820 0.433 1.00 0.00 N ATOM 1435 CA GLU B 37 -4.041 -6.227 1.831 1.00 0.00 C ATOM 1436 C GLU B 37 -4.318 -7.732 2.029 1.00 0.00 C ATOM 1437 O GLU B 37 -3.567 -8.424 2.722 1.00 0.00 O ATOM 1438 CB GLU B 37 -4.946 -5.367 2.731 1.00 0.00 C ATOM 1439 CG GLU B 37 -4.714 -5.541 4.235 1.00 0.00 C ATOM 1440 CD GLU B 37 -3.397 -4.893 4.708 1.00 0.00 C ATOM 1441 OE1 GLU B 37 -3.402 -3.684 5.047 1.00 0.00 O ATOM 1442 OE2 GLU B 37 -2.359 -5.593 4.774 1.00 0.00 O ATOM 0 H GLU B 37 -5.095 -5.273 0.289 1.00 0.00 H new ATOM 0 HA GLU B 37 -2.998 -6.066 2.104 1.00 0.00 H new ATOM 0 HB2 GLU B 37 -4.797 -4.318 2.474 1.00 0.00 H new ATOM 0 HB3 GLU B 37 -5.986 -5.605 2.509 1.00 0.00 H new ATOM 0 HG2 GLU B 37 -5.548 -5.101 4.781 1.00 0.00 H new ATOM 0 HG3 GLU B 37 -4.700 -6.604 4.477 1.00 0.00 H new ATOM 1449 N LYS B 38 -5.361 -8.259 1.369 1.00 0.00 N ATOM 1450 CA LYS B 38 -5.687 -9.696 1.325 1.00 0.00 C ATOM 1451 C LYS B 38 -4.678 -10.476 0.498 1.00 0.00 C ATOM 1452 O LYS B 38 -4.251 -11.538 0.931 1.00 0.00 O ATOM 1453 CB LYS B 38 -7.093 -9.917 0.735 1.00 0.00 C ATOM 1454 CG LYS B 38 -8.198 -9.315 1.613 1.00 0.00 C ATOM 1455 CD LYS B 38 -9.611 -9.421 1.016 1.00 0.00 C ATOM 1456 CE LYS B 38 -9.692 -8.598 -0.272 1.00 0.00 C ATOM 1457 NZ LYS B 38 -11.063 -8.455 -0.813 1.00 0.00 N ATOM 0 H LYS B 38 -6.017 -7.686 0.838 1.00 0.00 H new ATOM 0 HA LYS B 38 -5.655 -10.060 2.352 1.00 0.00 H new ATOM 0 HB2 LYS B 38 -7.141 -9.473 -0.259 1.00 0.00 H new ATOM 0 HB3 LYS B 38 -7.270 -10.986 0.615 1.00 0.00 H new ATOM 0 HG2 LYS B 38 -8.188 -9.814 2.582 1.00 0.00 H new ATOM 0 HG3 LYS B 38 -7.970 -8.264 1.793 1.00 0.00 H new ATOM 0 HD2 LYS B 38 -9.851 -10.464 0.808 1.00 0.00 H new ATOM 0 HD3 LYS B 38 -10.347 -9.062 1.735 1.00 0.00 H new ATOM 0 HE2 LYS B 38 -9.282 -7.606 -0.083 1.00 0.00 H new ATOM 0 HE3 LYS B 38 -9.061 -9.064 -1.029 1.00 0.00 H new ATOM 0 HZ1 LYS B 38 -11.045 -7.831 -1.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 38 -11.426 -9.389 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS B 38 -11.682 -8.044 -0.085 1.00 0.00 H new ATOM 1471 N HIS B 39 -4.273 -9.951 -0.659 1.00 0.00 N ATOM 1472 CA HIS B 39 -3.440 -10.600 -1.662 1.00 0.00 C ATOM 1473 C HIS B 39 -2.150 -11.212 -1.105 1.00 0.00 C ATOM 1474 O HIS B 39 -1.843 -12.356 -1.429 1.00 0.00 O ATOM 1475 CB HIS B 39 -3.129 -9.534 -2.704 1.00 0.00 C ATOM 1476 CG HIS B 39 -4.203 -9.231 -3.709 1.00 0.00 C ATOM 1477 ND1 HIS B 39 -3.979 -8.471 -4.861 1.00 0.00 N ATOM 1478 CD2 HIS B 39 -5.519 -9.578 -3.649 1.00 0.00 C ATOM 1479 CE1 HIS B 39 -5.184 -8.379 -5.463 1.00 0.00 C ATOM 1480 NE2 HIS B 39 -6.113 -9.056 -4.768 1.00 0.00 N ATOM 0 H HIS B 39 -4.536 -9.004 -0.934 1.00 0.00 H new ATOM 0 HA HIS B 39 -3.980 -11.450 -2.081 1.00 0.00 H new ATOM 0 HB2 HIS B 39 -2.884 -8.610 -2.181 1.00 0.00 H new ATOM 0 HB3 HIS B 39 -2.234 -9.840 -3.246 1.00 0.00 H new ATOM 0 HD2 HIS B 39 -6.000 -10.152 -2.871 1.00 0.00 H new ATOM 0 HE1 HIS B 39 -5.375 -7.836 -6.377 1.00 0.00 H new ATOM 0 HE2 HIS B 39 -7.093 -9.163 -5.029 1.00 0.00 H new ATOM 1488 N ILE B 40 -1.425 -10.484 -0.246 1.00 0.00 N ATOM 1489 CA ILE B 40 -0.202 -11.011 0.405 1.00 0.00 C ATOM 1490 C ILE B 40 -0.501 -12.275 1.224 1.00 0.00 C ATOM 1491 O ILE B 40 0.166 -13.296 1.055 1.00 0.00 O ATOM 1492 CB ILE B 40 0.497 -9.946 1.288 1.00 0.00 C ATOM 1493 CG1 ILE B 40 0.971 -8.772 0.413 1.00 0.00 C ATOM 1494 CG2 ILE B 40 1.709 -10.541 2.036 1.00 0.00 C ATOM 1495 CD1 ILE B 40 1.507 -7.560 1.188 1.00 0.00 C ATOM 0 H ILE B 40 -1.658 -9.527 0.019 1.00 0.00 H new ATOM 0 HA ILE B 40 0.486 -11.276 -0.398 1.00 0.00 H new ATOM 0 HB ILE B 40 -0.227 -9.597 2.025 1.00 0.00 H new ATOM 0 HG12 ILE B 40 1.752 -9.130 -0.257 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.140 -8.446 -0.212 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.176 -9.767 2.646 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.376 -11.357 2.677 1.00 0.00 H new ATOM 0 HG23 ILE B 40 2.432 -10.919 1.314 1.00 0.00 H new ATOM 0 HD11 ILE B 40 1.816 -6.786 0.485 1.00 0.00 H new ATOM 0 HD12 ILE B 40 0.724 -7.168 1.838 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.362 -7.864 1.792 1.00 0.00 H new ATOM 1507 N GLU B 41 -1.513 -12.238 2.092 1.00 0.00 N ATOM 1508 CA GLU B 41 -1.901 -13.409 2.888 1.00 0.00 C ATOM 1509 C GLU B 41 -2.527 -14.513 2.026 1.00 0.00 C ATOM 1510 O GLU B 41 -2.268 -15.693 2.250 1.00 0.00 O ATOM 1511 CB GLU B 41 -2.827 -13.008 4.045 1.00 0.00 C ATOM 1512 CG GLU B 41 -2.095 -12.123 5.065 1.00 0.00 C ATOM 1513 CD GLU B 41 -2.924 -11.950 6.352 1.00 0.00 C ATOM 1514 OE1 GLU B 41 -3.770 -11.025 6.422 1.00 0.00 O ATOM 1515 OE2 GLU B 41 -2.728 -12.735 7.313 1.00 0.00 O ATOM 0 H GLU B 41 -2.082 -11.409 2.264 1.00 0.00 H new ATOM 0 HA GLU B 41 -0.988 -13.823 3.316 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -3.693 -12.474 3.653 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -3.202 -13.903 4.540 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -1.130 -12.567 5.308 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -1.895 -11.146 4.625 1.00 0.00 H new ATOM 1522 N TRP B 42 -3.288 -14.145 0.996 1.00 0.00 N ATOM 1523 CA TRP B 42 -3.864 -15.050 -0.003 1.00 0.00 C ATOM 1524 C TRP B 42 -2.825 -15.889 -0.765 1.00 0.00 C ATOM 1525 O TRP B 42 -3.054 -17.087 -0.951 1.00 0.00 O ATOM 1526 CB TRP B 42 -4.758 -14.212 -0.932 1.00 0.00 C ATOM 1527 CG TRP B 42 -6.149 -13.947 -0.448 1.00 0.00 C ATOM 1528 CD1 TRP B 42 -6.687 -14.346 0.728 1.00 0.00 C ATOM 1529 CD2 TRP B 42 -7.210 -13.236 -1.150 1.00 0.00 C ATOM 1530 NE1 TRP B 42 -8.014 -13.965 0.782 1.00 0.00 N ATOM 1531 CE2 TRP B 42 -8.396 -13.286 -0.357 1.00 0.00 C ATOM 1532 CE3 TRP B 42 -7.286 -12.552 -2.381 1.00 0.00 C ATOM 1533 CZ2 TRP B 42 -9.602 -12.708 -0.780 1.00 0.00 C ATOM 1534 CZ3 TRP B 42 -8.482 -11.946 -2.804 1.00 0.00 C ATOM 1535 CH2 TRP B 42 -9.642 -12.030 -2.012 1.00 0.00 C ATOM 0 H TRP B 42 -3.531 -13.169 0.826 1.00 0.00 H new ATOM 0 HA TRP B 42 -4.461 -15.805 0.509 1.00 0.00 H new ATOM 0 HB2 TRP B 42 -4.268 -13.254 -1.107 1.00 0.00 H new ATOM 0 HB3 TRP B 42 -4.821 -14.718 -1.895 1.00 0.00 H new ATOM 0 HD1 TRP B 42 -6.160 -14.880 1.505 1.00 0.00 H new ATOM 0 HE1 TRP B 42 -8.635 -14.161 1.567 1.00 0.00 H new ATOM 0 HE3 TRP B 42 -6.410 -12.493 -3.010 1.00 0.00 H new ATOM 0 HZ2 TRP B 42 -10.489 -12.783 -0.168 1.00 0.00 H new ATOM 0 HZ3 TRP B 42 -8.511 -11.413 -3.743 1.00 0.00 H new ATOM 0 HH2 TRP B 42 -10.561 -11.575 -2.349 1.00 0.00 H new ATOM 1546 N LEU B 43 -1.671 -15.326 -1.148 1.00 0.00 N ATOM 1547 CA LEU B 43 -0.584 -16.103 -1.767 1.00 0.00 C ATOM 1548 C LEU B 43 0.342 -16.798 -0.747 1.00 0.00 C ATOM 1549 O LEU B 43 0.814 -17.904 -1.014 1.00 0.00 O ATOM 1550 CB LEU B 43 0.144 -15.285 -2.845 1.00 0.00 C ATOM 1551 CG LEU B 43 0.886 -14.053 -2.317 1.00 0.00 C ATOM 1552 CD1 LEU B 43 2.353 -14.334 -2.013 1.00 0.00 C ATOM 1553 CD2 LEU B 43 0.832 -12.922 -3.337 1.00 0.00 C ATOM 0 H LEU B 43 -1.464 -14.333 -1.040 1.00 0.00 H new ATOM 0 HA LEU B 43 -1.046 -16.941 -2.289 1.00 0.00 H new ATOM 0 HB2 LEU B 43 0.858 -15.933 -3.354 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -0.583 -14.963 -3.591 1.00 0.00 H new ATOM 0 HG LEU B 43 0.383 -13.773 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU B 43 2.828 -13.426 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.425 -15.116 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.857 -14.662 -2.922 1.00 0.00 H new ATOM 0 HD21 LEU B 43 1.364 -12.054 -2.947 1.00 0.00 H new ATOM 0 HD22 LEU B 43 1.301 -13.247 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -0.207 -12.655 -3.529 1.00 0.00 H new ATOM 1565 N GLU B 44 0.544 -16.224 0.445 1.00 0.00 N ATOM 1566 CA GLU B 44 1.275 -16.877 1.548 1.00 0.00 C ATOM 1567 C GLU B 44 0.556 -18.121 2.097 1.00 0.00 C ATOM 1568 O GLU B 44 1.214 -19.106 2.440 1.00 0.00 O ATOM 1569 CB GLU B 44 1.488 -15.881 2.702 1.00 0.00 C ATOM 1570 CG GLU B 44 2.684 -14.945 2.491 1.00 0.00 C ATOM 1571 CD GLU B 44 3.982 -15.585 3.027 1.00 0.00 C ATOM 1572 OE1 GLU B 44 4.588 -16.425 2.324 1.00 0.00 O ATOM 1573 OE2 GLU B 44 4.394 -15.258 4.168 1.00 0.00 O ATOM 0 H GLU B 44 0.205 -15.290 0.677 1.00 0.00 H new ATOM 0 HA GLU B 44 2.229 -17.202 1.132 1.00 0.00 H new ATOM 0 HB2 GLU B 44 0.586 -15.282 2.825 1.00 0.00 H new ATOM 0 HB3 GLU B 44 1.631 -16.437 3.629 1.00 0.00 H new ATOM 0 HG2 GLU B 44 2.794 -14.722 1.430 1.00 0.00 H new ATOM 0 HG3 GLU B 44 2.504 -13.997 2.999 1.00 0.00 H new ATOM 1580 N THR B 45 -0.782 -18.108 2.166 1.00 0.00 N ATOM 1581 CA THR B 45 -1.595 -19.201 2.740 1.00 0.00 C ATOM 1582 C THR B 45 -1.334 -20.548 2.059 1.00 0.00 C ATOM 1583 O THR B 45 -1.277 -21.580 2.730 1.00 0.00 O ATOM 1584 CB THR B 45 -3.096 -18.842 2.699 1.00 0.00 C ATOM 1585 OG1 THR B 45 -3.348 -17.780 3.594 1.00 0.00 O ATOM 1586 CG2 THR B 45 -4.028 -19.975 3.135 1.00 0.00 C ATOM 0 H THR B 45 -1.343 -17.329 1.821 1.00 0.00 H new ATOM 0 HA THR B 45 -1.290 -19.313 3.780 1.00 0.00 H new ATOM 0 HB THR B 45 -3.300 -18.599 1.656 1.00 0.00 H new ATOM 0 HG1 THR B 45 -3.084 -16.933 3.179 1.00 0.00 H new ATOM 0 HG21 THR B 45 -5.063 -19.638 3.076 1.00 0.00 H new ATOM 0 HG22 THR B 45 -3.888 -20.834 2.479 1.00 0.00 H new ATOM 0 HG23 THR B 45 -3.797 -20.261 4.161 1.00 0.00 H new ATOM 1594 N ILE B 46 -1.111 -20.553 0.739 1.00 0.00 N ATOM 1595 CA ILE B 46 -0.863 -21.782 -0.034 1.00 0.00 C ATOM 1596 C ILE B 46 0.461 -22.457 0.369 1.00 0.00 C ATOM 1597 O ILE B 46 0.552 -23.684 0.414 1.00 0.00 O ATOM 1598 CB ILE B 46 -0.874 -21.498 -1.556 1.00 0.00 C ATOM 1599 CG1 ILE B 46 -1.993 -20.541 -2.034 1.00 0.00 C ATOM 1600 CG2 ILE B 46 -0.967 -22.835 -2.313 1.00 0.00 C ATOM 1601 CD1 ILE B 46 -3.421 -20.941 -1.640 1.00 0.00 C ATOM 0 H ILE B 46 -1.097 -19.704 0.173 1.00 0.00 H new ATOM 0 HA ILE B 46 -1.676 -22.470 0.199 1.00 0.00 H new ATOM 0 HB ILE B 46 0.058 -20.977 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE B 46 -1.791 -19.547 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE B 46 -1.943 -20.466 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE B 46 -0.975 -22.646 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE B 46 -0.108 -23.456 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE B 46 -1.884 -23.351 -2.028 1.00 0.00 H new ATOM 0 HD11 ILE B 46 -4.125 -20.203 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE B 46 -3.654 -21.919 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE B 46 -3.500 -20.986 -0.554 1.00 0.00 H new ATOM 1613 N LEU B 47 1.480 -21.659 0.711 1.00 0.00 N ATOM 1614 CA LEU B 47 2.828 -22.125 1.069 1.00 0.00 C ATOM 1615 C LEU B 47 2.904 -22.791 2.462 1.00 0.00 C ATOM 1616 O LEU B 47 3.924 -23.399 2.796 1.00 0.00 O ATOM 1617 CB LEU B 47 3.820 -20.948 0.959 1.00 0.00 C ATOM 1618 CG LEU B 47 3.801 -20.195 -0.387 1.00 0.00 C ATOM 1619 CD1 LEU B 47 4.859 -19.093 -0.376 1.00 0.00 C ATOM 1620 CD2 LEU B 47 4.067 -21.111 -1.585 1.00 0.00 C ATOM 0 H LEU B 47 1.389 -20.644 0.748 1.00 0.00 H new ATOM 0 HA LEU B 47 3.099 -22.908 0.361 1.00 0.00 H new ATOM 0 HB2 LEU B 47 3.606 -20.237 1.757 1.00 0.00 H new ATOM 0 HB3 LEU B 47 4.828 -21.326 1.131 1.00 0.00 H new ATOM 0 HG LEU B 47 2.800 -19.779 -0.498 1.00 0.00 H new ATOM 0 HD11 LEU B 47 4.843 -18.563 -1.329 1.00 0.00 H new ATOM 0 HD12 LEU B 47 4.647 -18.393 0.432 1.00 0.00 H new ATOM 0 HD13 LEU B 47 5.844 -19.535 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU B 47 4.041 -20.525 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU B 47 5.048 -21.575 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU B 47 3.302 -21.886 -1.627 1.00 0.00 H new ATOM 1632 N GLY B 48 1.825 -22.718 3.251 1.00 0.00 N ATOM 1633 CA GLY B 48 1.662 -23.383 4.551 1.00 0.00 C ATOM 1634 C GLY B 48 0.574 -24.470 4.567 1.00 0.00 C ATOM 1635 O GLY B 48 0.232 -24.994 5.627 1.00 0.00 O ATOM 0 H GLY B 48 1.005 -22.170 2.990 1.00 0.00 H new ATOM 0 HA2 GLY B 48 2.613 -23.831 4.840 1.00 0.00 H new ATOM 0 HA3 GLY B 48 1.422 -22.632 5.304 1.00 0.00 H new HETATM 1639 N NH2 B 49 0.005 -24.831 3.421 1.00 0.00 N TER 1642 NH2 B 49 HETATM 1643 ZN ZN A 50 -2.911 -4.244 -7.833 1.00 0.00 ZN HETATM 1644 ZN ZN B 50 -2.372 -7.412 -5.336 1.00 0.00 ZN