USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 2 HIS HE2 : A 2 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 4 HIS HD1 : A 4 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: C 2 HIS HD1 : C 2 HIS ND1 : C 101 ZNZN :(H bumps) USER MOD NoAdj-H: C 4 HIS HD1 : C 4 HIS ND1 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: C 4 HIS HE2 : C 4 HIS NE2 : C 101 ZNZN :(H bumps) USER MOD NoAdj-H: E 2 HIS HD1 : E 2 HIS ND1 : C 101 ZNZN :(H bumps) USER MOD NoAdj-H: E 2 HIS HE2 : E 2 HIS NE2 : E 101 ZNZN :(H bumps) USER MOD NoAdj-H: E 4 HIS HD1 : E 4 HIS ND1 : E 101 ZNZN :(H bumps) USER MOD NoAdj-H: G 2 HIS HD1 : G 2 HIS ND1 : G 101 ZNZN :(H bumps) USER MOD NoAdj-H: G 4 HIS HD1 : G 4 HIS ND1 : E 101 ZNZN :(H bumps) USER MOD NoAdj-H: G 4 HIS HE2 : G 4 HIS NE2 : G 101 ZNZN :(H bumps) USER MOD NoAdj-H: I 2 HIS HD1 : I 2 HIS ND1 : G 101 ZNZN :(H bumps) USER MOD NoAdj-H: I 2 HIS HE2 : I 2 HIS NE2 : I 101 ZNZN :(H bumps) USER MOD NoAdj-H: I 4 HIS HD1 : I 4 HIS ND1 : I 101 ZNZN :(H bumps) USER MOD NoAdj-H: K 2 HIS HD1 : K 2 HIS ND1 : K 101 ZNZN :(H bumps) USER MOD NoAdj-H: K 4 HIS HD1 : K 4 HIS ND1 : I 101 ZNZN :(H bumps) USER MOD NoAdj-H: K 4 HIS HE2 : K 4 HIS NE2 : K 101 ZNZN :(H bumps) USER MOD NoAdj-H: O 2 HIS HE2 : O 2 HIS NE2 : O 101 ZNZN :(H bumps) USER MOD NoAdj-H: O 4 HIS HD1 : O 4 HIS ND1 : O 101 ZNZN :(H bumps) USER MOD NoAdj-H: Q 2 HIS HD1 : Q 2 HIS ND1 : Q 101 ZNZN :(H bumps) USER MOD NoAdj-H: Q 4 HIS HD1 : Q 4 HIS ND1 : O 101 ZNZN :(H bumps) USER MOD NoAdj-H: Q 4 HIS HE2 : Q 4 HIS NE2 : Q 101 ZNZN :(H bumps) USER MOD NoAdj-H: S 2 HIS HD1 : S 2 HIS ND1 : Q 101 ZNZN :(H bumps) USER MOD NoAdj-H: S 2 HIS HE2 : S 2 HIS NE2 : S 101 ZNZN :(H bumps) USER MOD NoAdj-H: S 4 HIS HD1 : S 4 HIS ND1 : S 101 ZNZN :(H bumps) USER MOD NoAdj-H: U 2 HIS HD1 : U 2 HIS ND1 : U 101 ZNZN :(H bumps) USER MOD NoAdj-H: U 4 HIS HD1 : U 4 HIS ND1 : S 101 ZNZN :(H bumps) USER MOD NoAdj-H: U 4 HIS HE2 : U 4 HIS NE2 : U 101 ZNZN :(H bumps) USER MOD NoAdj-H: W 2 HIS HD1 : W 2 HIS ND1 : U 101 ZNZN :(H bumps) USER MOD NoAdj-H: W 2 HIS HE2 : W 2 HIS NE2 : W 101 ZNZN :(H bumps) USER MOD NoAdj-H: W 4 HIS HD1 : W 4 HIS ND1 : W 101 ZNZN :(H bumps) USER MOD NoAdj-H: Y 2 HIS HD1 : Y 2 HIS ND1 : Y 101 ZNZN :(H bumps) USER MOD NoAdj-H: Y 4 HIS HD1 : Y 4 HIS ND1 : W 101 ZNZN :(H bumps) USER MOD NoAdj-H: Y 4 HIS HE2 : Y 4 HIS NE2 : Y 101 ZNZN :(H bumps) USER MOD Set 1.1: O 6 GLN : amide:sc= 0.58 K(o=0.11,f=-0.99) USER MOD Set 1.2: Q 6 GLN : amide:sc= 0.546 K(o=0.11,f=-4.6!) USER MOD Set 1.3: S 6 GLN : amide:sc= -0.172 K(o=0.11,f=-8.2!) USER MOD Set 1.4: U 6 GLN : amide:sc= 0.151 K(o=0.11,f=-10!) USER MOD Set 1.5: W 6 GLN : amide:sc= -0.408 K(o=0.11,f=-8.4!) USER MOD Set 1.6: Y 6 GLN : amide:sc= -0.582 K(o=0.11,f=-9.6!) USER MOD Set 2.1: A 6 GLN : amide:sc= 0.42 K(o=-0.16,f=-0.98) USER MOD Set 2.2: C 6 GLN : amide:sc= 0.464 K(o=-0.16,f=-4.2!) USER MOD Set 2.3: E 6 GLN : amide:sc= -0.229 K(o=-0.16,f=-7.3!) USER MOD Set 2.4: G 6 GLN : amide:sc= 0.16 K(o=-0.16,f=-7.9!) USER MOD Set 2.5: I 6 GLN : amide:sc= -0.482 K(o=-0.16,f=-8.1!) USER MOD Set 2.6: K 6 GLN : amide:sc= -0.494 K(o=-0.16,f=-10!) USER MOD Single : A 1 ILE N :NH3+ -151:sc= -0.0795 (180deg=-0.801) USER MOD Single : C 1 ILE N :NH3+ -168:sc= -2.09! (180deg=-2.59!) USER MOD Single : E 1 ILE N :NH3+ -153:sc= -0.164 (180deg=-0.747) USER MOD Single : G 1 ILE N :NH3+ -167:sc= -2.1! (180deg=-2.58!) USER MOD Single : I 1 ILE N :NH3+ -153:sc= -0.16 (180deg=-0.752) USER MOD Single : K 1 ILE N :NH3+ -173:sc= -0.443 (180deg=-0.678) USER MOD Single : O 1 ILE N :NH3+ -151:sc= -0.127 (180deg=-0.806) USER MOD Single : Q 1 ILE N :NH3+ -173:sc= -2.05! (180deg=-2.55!) USER MOD Single : S 1 ILE N :NH3+ -152:sc= -0.109 (180deg=-0.752) USER MOD Single : U 1 ILE N :NH3+ -172:sc= -1.94! (180deg=-2.4!) USER MOD Single : W 1 ILE N :NH3+ -153:sc= -0.0989 (180deg=-0.733) USER MOD Single : Y 1 ILE N :NH3+ -173:sc= -0.416 (180deg=-0.648) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.145 -11.710 7.291 1.00 0.00 N ATOM 2 CA ILE A 1 -11.339 -10.489 8.125 1.00 0.00 C ATOM 3 C ILE A 1 -11.396 -9.266 7.215 1.00 0.00 C ATOM 4 O ILE A 1 -10.549 -9.094 6.330 1.00 0.00 O ATOM 5 CB ILE A 1 -10.176 -10.360 9.123 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.246 -11.519 10.126 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.273 -9.023 9.866 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.946 -11.581 10.929 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.576 -12.528 7.767 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.596 -11.572 6.364 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.128 -11.882 7.159 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.273 -10.563 8.682 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.228 -10.396 8.586 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.094 -11.382 10.797 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.405 -12.460 9.599 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.446 -8.938 10.571 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.224 -8.204 9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.218 -8.975 10.407 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -8.997 -12.405 11.641 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.107 -11.739 10.251 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.806 -10.644 11.468 1.00 0.00 H new ATOM 22 N HIS A 2 -12.401 -8.413 7.430 1.00 0.00 N ATOM 23 CA HIS A 2 -12.554 -7.224 6.633 1.00 0.00 C ATOM 24 C HIS A 2 -12.311 -5.994 7.495 1.00 0.00 C ATOM 25 O HIS A 2 -13.005 -5.775 8.489 1.00 0.00 O ATOM 26 CB HIS A 2 -14.012 -7.223 6.127 1.00 0.00 C ATOM 27 CG HIS A 2 -14.402 -5.880 5.578 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.708 -5.379 5.665 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.687 -4.946 4.894 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.725 -4.193 5.041 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.528 -3.874 4.547 1.00 0.00 N ATOM 0 H HIS A 2 -13.112 -8.536 8.151 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.845 -7.206 5.805 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -14.131 -7.982 5.354 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.682 -7.492 6.943 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.500 -5.833 6.120 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.636 -5.017 4.655 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.603 -3.570 4.949 1.00 0.00 H new ATOM 38 N VAL A 3 -11.356 -5.166 7.080 1.00 0.00 N ATOM 39 CA VAL A 3 -11.063 -3.923 7.787 1.00 0.00 C ATOM 40 C VAL A 3 -11.307 -2.739 6.868 1.00 0.00 C ATOM 41 O VAL A 3 -10.685 -2.649 5.809 1.00 0.00 O ATOM 42 CB VAL A 3 -9.609 -3.922 8.252 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.280 -2.571 8.888 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.400 -5.041 9.281 1.00 0.00 C ATOM 0 H VAL A 3 -10.773 -5.333 6.260 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.717 -3.844 8.655 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.953 -4.090 7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.242 -2.569 9.221 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.428 -1.778 8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.935 -2.402 9.743 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.362 -5.041 9.613 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.055 -4.876 10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.635 -6.003 8.825 1.00 0.00 H new ATOM 54 N HIS A 4 -12.180 -1.810 7.272 1.00 0.00 N ATOM 55 CA HIS A 4 -12.442 -0.632 6.479 1.00 0.00 C ATOM 56 C HIS A 4 -12.052 0.626 7.241 1.00 0.00 C ATOM 57 O HIS A 4 -12.418 0.791 8.405 1.00 0.00 O ATOM 58 CB HIS A 4 -13.925 -0.624 6.073 1.00 0.00 C ATOM 59 CG HIS A 4 -14.107 0.243 4.860 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.467 -0.247 3.592 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.968 1.580 4.721 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.525 0.807 2.763 1.00 0.00 C ATOM 63 NE2 HIS A 4 -14.234 1.948 3.401 1.00 0.00 N ATOM 0 H HIS A 4 -12.709 -1.862 8.142 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.835 -0.651 5.574 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.261 -1.639 5.861 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.536 -0.251 6.895 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.693 2.261 5.512 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.775 0.743 1.714 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.211 2.888 3.006 1.00 0.00 H new ATOM 71 N LEU A 5 -11.287 1.501 6.587 1.00 0.00 N ATOM 72 CA LEU A 5 -10.813 2.730 7.223 1.00 0.00 C ATOM 73 C LEU A 5 -11.145 3.933 6.347 1.00 0.00 C ATOM 74 O LEU A 5 -10.724 3.993 5.190 1.00 0.00 O ATOM 75 CB LEU A 5 -9.291 2.633 7.374 1.00 0.00 C ATOM 76 CG LEU A 5 -8.900 1.209 7.812 1.00 0.00 C ATOM 77 CD1 LEU A 5 -7.400 1.009 7.630 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.276 0.971 9.283 1.00 0.00 C ATOM 0 H LEU A 5 -10.983 1.382 5.621 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.294 2.852 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.806 2.879 6.429 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.942 3.358 8.109 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.443 0.495 7.193 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.127 0.001 7.941 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.139 1.148 6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.860 1.735 8.238 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.991 -0.041 9.572 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.752 1.690 9.913 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.352 1.095 9.408 1.00 0.00 H new ATOM 90 N GLN A 6 -11.865 4.901 6.902 1.00 0.00 N ATOM 91 CA GLN A 6 -12.208 6.109 6.156 1.00 0.00 C ATOM 92 C GLN A 6 -11.844 7.327 6.990 1.00 0.00 C ATOM 93 O GLN A 6 -12.515 7.638 7.974 1.00 0.00 O ATOM 94 CB GLN A 6 -13.702 6.115 5.835 1.00 0.00 C ATOM 95 CG GLN A 6 -14.023 7.301 4.927 1.00 0.00 C ATOM 96 CD GLN A 6 -15.523 7.373 4.676 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.307 7.526 5.614 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.969 7.266 3.455 1.00 0.00 N ATOM 0 H GLN A 6 -12.221 4.876 7.858 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.652 6.133 5.219 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.984 5.182 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.282 6.180 6.755 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.678 8.227 5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.492 7.199 3.981 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.315 7.139 2.682 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.972 7.309 3.273 1.00 0.00 H new ATOM 107 N ILE A 7 -10.768 8.010 6.598 1.00 0.00 N ATOM 108 CA ILE A 7 -10.304 9.194 7.325 1.00 0.00 C ATOM 109 C ILE A 7 -10.342 10.417 6.417 1.00 0.00 C ATOM 110 O ILE A 7 -10.642 11.490 6.913 1.00 0.00 O ATOM 111 CB ILE A 7 -8.871 8.970 7.821 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.832 7.741 8.731 1.00 0.00 C ATOM 113 CG2 ILE A 7 -8.415 10.196 8.617 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.379 7.369 9.020 1.00 0.00 C ATOM 115 OXT ILE A 7 -10.076 10.261 5.236 1.00 0.00 O ATOM 0 H ILE A 7 -10.203 7.766 5.785 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.962 9.362 8.178 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.211 8.815 6.967 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.358 7.948 9.663 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.345 6.906 8.254 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.396 10.041 8.972 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.446 11.078 7.977 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.078 10.343 9.470 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.350 6.493 9.668 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.868 7.145 8.084 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.881 8.203 9.514 1.00 0.00 H new TER 127 ILE A 7 ATOM 128 N ILE C 1 -7.211 -11.530 3.901 1.00 0.00 N ATOM 129 CA ILE C 1 -8.104 -10.481 4.461 1.00 0.00 C ATOM 130 C ILE C 1 -8.221 -9.343 3.449 1.00 0.00 C ATOM 131 O ILE C 1 -7.367 -9.186 2.562 1.00 0.00 O ATOM 132 CB ILE C 1 -7.538 -9.969 5.831 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.856 -8.593 5.703 1.00 0.00 C ATOM 134 CG2 ILE C 1 -6.506 -10.954 6.391 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.637 -8.691 4.777 1.00 0.00 C ATOM 0 H1 ILE C 1 -7.282 -12.391 4.479 1.00 0.00 H new ATOM 0 H2 ILE C 1 -7.497 -11.744 2.924 1.00 0.00 H new ATOM 0 H3 ILE C 1 -6.229 -11.189 3.907 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.096 -10.892 4.647 1.00 0.00 H new ATOM 0 HB ILE C 1 -8.393 -9.883 6.501 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.564 -7.863 5.309 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -6.547 -8.239 6.687 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.125 -10.581 7.342 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -6.976 -11.925 6.545 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -5.682 -11.057 5.685 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.163 -7.713 4.694 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.924 -9.406 5.188 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.956 -9.024 3.789 1.00 0.00 H new ATOM 149 N HIS C 2 -9.259 -8.515 3.611 1.00 0.00 N ATOM 150 CA HIS C 2 -9.423 -7.354 2.738 1.00 0.00 C ATOM 151 C HIS C 2 -9.210 -6.097 3.572 1.00 0.00 C ATOM 152 O HIS C 2 -9.924 -5.873 4.550 1.00 0.00 O ATOM 153 CB HIS C 2 -10.845 -7.338 2.122 1.00 0.00 C ATOM 154 CG HIS C 2 -10.884 -8.163 0.856 1.00 0.00 C ATOM 155 ND1 HIS C 2 -11.097 -7.594 -0.397 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.749 -9.512 0.634 1.00 0.00 C ATOM 157 CE1 HIS C 2 -11.081 -8.591 -1.300 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.873 -9.779 -0.726 1.00 0.00 N ATOM 0 H HIS C 2 -9.982 -8.625 4.322 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.699 -7.399 1.925 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.564 -7.731 2.841 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.141 -6.312 1.904 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.573 -10.253 1.399 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.220 -8.448 -2.361 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.817 -10.688 -1.186 1.00 0.00 H new ATOM 166 N VAL C 3 -8.268 -5.254 3.152 1.00 0.00 N ATOM 167 CA VAL C 3 -8.019 -3.987 3.841 1.00 0.00 C ATOM 168 C VAL C 3 -8.344 -2.836 2.912 1.00 0.00 C ATOM 169 O VAL C 3 -7.809 -2.761 1.801 1.00 0.00 O ATOM 170 CB VAL C 3 -6.555 -3.899 4.292 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.313 -2.535 4.958 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.238 -5.045 5.295 1.00 0.00 C ATOM 0 H VAL C 3 -7.668 -5.423 2.344 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.655 -3.933 4.724 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.901 -4.002 3.426 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.274 -2.467 5.281 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.524 -1.739 4.244 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.969 -2.431 5.822 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.197 -4.975 5.610 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -6.887 -4.956 6.166 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.407 -6.008 4.813 1.00 0.00 H new ATOM 182 N HIS C 4 -9.201 -1.932 3.364 1.00 0.00 N ATOM 183 CA HIS C 4 -9.562 -0.772 2.551 1.00 0.00 C ATOM 184 C HIS C 4 -9.122 0.493 3.280 1.00 0.00 C ATOM 185 O HIS C 4 -9.441 0.680 4.455 1.00 0.00 O ATOM 186 CB HIS C 4 -11.098 -0.774 2.302 1.00 0.00 C ATOM 187 CG HIS C 4 -11.550 -2.072 1.615 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.737 -2.743 1.955 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.978 -2.844 0.617 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.821 -3.845 1.184 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.779 -3.957 0.354 1.00 0.00 N ATOM 0 H HIS C 4 -9.656 -1.974 4.276 1.00 0.00 H new ATOM 0 HA HIS C 4 -9.062 -0.810 1.583 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.623 -0.660 3.251 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.369 0.081 1.683 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -10.048 -2.618 0.116 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.634 -4.554 1.231 1.00 0.00 H new ATOM 198 N LEU C 5 -8.389 1.359 2.578 1.00 0.00 N ATOM 199 CA LEU C 5 -7.894 2.608 3.166 1.00 0.00 C ATOM 200 C LEU C 5 -8.236 3.789 2.279 1.00 0.00 C ATOM 201 O LEU C 5 -7.699 3.924 1.177 1.00 0.00 O ATOM 202 CB LEU C 5 -6.373 2.503 3.339 1.00 0.00 C ATOM 203 CG LEU C 5 -5.771 3.850 3.765 1.00 0.00 C ATOM 204 CD1 LEU C 5 -6.417 4.321 5.071 1.00 0.00 C ATOM 205 CD2 LEU C 5 -4.251 3.679 3.961 1.00 0.00 C ATOM 0 H LEU C 5 -8.125 1.220 1.603 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.369 2.765 4.135 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -6.140 1.744 4.086 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.919 2.178 2.403 1.00 0.00 H new ATOM 0 HG LEU C 5 -5.960 4.597 2.994 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -5.985 5.277 5.367 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -7.491 4.438 4.924 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -6.236 3.584 5.853 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -3.814 4.630 4.264 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -4.065 2.932 4.733 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -3.798 3.353 3.025 1.00 0.00 H new ATOM 217 N GLN C 6 -9.100 4.667 2.783 1.00 0.00 N ATOM 218 CA GLN C 6 -9.484 5.864 2.047 1.00 0.00 C ATOM 219 C GLN C 6 -9.130 7.088 2.876 1.00 0.00 C ATOM 220 O GLN C 6 -9.688 7.306 3.950 1.00 0.00 O ATOM 221 CB GLN C 6 -10.981 5.837 1.751 1.00 0.00 C ATOM 222 CG GLN C 6 -11.333 7.022 0.857 1.00 0.00 C ATOM 223 CD GLN C 6 -12.832 7.073 0.607 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.633 6.958 1.540 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.256 7.238 -0.615 1.00 0.00 N ATOM 0 H GLN C 6 -9.545 4.571 3.696 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.948 5.902 1.099 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.251 4.902 1.260 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.549 5.885 2.680 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.005 7.949 1.326 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.803 6.940 -0.092 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.587 7.332 -1.379 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.257 7.273 -0.807 1.00 0.00 H new ATOM 234 N ILE C 7 -8.176 7.869 2.377 1.00 0.00 N ATOM 235 CA ILE C 7 -7.715 9.063 3.087 1.00 0.00 C ATOM 236 C ILE C 7 -7.925 10.298 2.216 1.00 0.00 C ATOM 237 O ILE C 7 -7.400 10.316 1.115 1.00 0.00 O ATOM 238 CB ILE C 7 -6.223 8.915 3.410 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.954 7.549 4.079 1.00 0.00 C ATOM 240 CG2 ILE C 7 -5.808 10.044 4.365 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.478 7.167 3.909 1.00 0.00 C ATOM 242 OXT ILE C 7 -8.609 11.205 2.660 1.00 0.00 O ATOM 0 H ILE C 7 -7.707 7.699 1.487 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.283 9.175 4.010 1.00 0.00 H new ATOM 0 HB ILE C 7 -5.646 8.973 2.487 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.207 7.597 5.138 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.590 6.784 3.634 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -4.748 9.949 4.602 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -5.988 11.008 3.889 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.392 9.977 5.283 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -4.295 6.203 4.383 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -4.239 7.101 2.848 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -3.850 7.926 4.376 1.00 0.00 H new TER 254 ILE C 7 ATOM 255 N ILE E 1 -5.048 -11.748 -0.506 1.00 0.00 N ATOM 256 CA ILE E 1 -5.228 -10.518 0.316 1.00 0.00 C ATOM 257 C ILE E 1 -5.363 -9.306 -0.605 1.00 0.00 C ATOM 258 O ILE E 1 -4.574 -9.136 -1.542 1.00 0.00 O ATOM 259 CB ILE E 1 -4.016 -10.336 1.241 1.00 0.00 C ATOM 260 CG1 ILE E 1 -3.986 -11.485 2.263 1.00 0.00 C ATOM 261 CG2 ILE E 1 -4.110 -8.978 1.954 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.647 -11.480 3.001 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.403 -12.572 0.020 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.577 -11.651 -1.396 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.038 -11.880 -0.716 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.129 -10.613 0.921 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.095 -10.356 0.658 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.805 -11.374 2.974 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.130 -12.439 1.757 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.249 -8.851 2.610 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.123 -8.178 1.213 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -5.025 -8.940 2.545 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.627 -12.295 3.725 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.836 -11.612 2.285 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.521 -10.530 3.521 1.00 0.00 H new ATOM 276 N HIS E 2 -6.363 -8.454 -0.333 1.00 0.00 N ATOM 277 CA HIS E 2 -6.569 -7.270 -1.140 1.00 0.00 C ATOM 278 C HIS E 2 -6.295 -6.019 -0.312 1.00 0.00 C ATOM 279 O HIS E 2 -6.944 -5.793 0.709 1.00 0.00 O ATOM 280 CB HIS E 2 -8.050 -7.272 -1.582 1.00 0.00 C ATOM 281 CG HIS E 2 -8.439 -5.940 -2.165 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.716 -5.372 -2.015 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.733 -5.067 -2.935 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.722 -4.217 -2.689 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.548 -3.974 -3.269 1.00 0.00 N ATOM 0 H HIS E 2 -7.027 -8.571 0.432 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.898 -7.271 -1.999 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.212 -8.058 -2.320 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.688 -7.500 -0.728 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.705 -5.195 -3.241 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.577 -3.560 -2.755 1.00 0.00 H new ATOM 292 N VAL E 3 -5.372 -5.181 -0.787 1.00 0.00 N ATOM 293 CA VAL E 3 -5.068 -3.916 -0.112 1.00 0.00 C ATOM 294 C VAL E 3 -5.367 -2.748 -1.037 1.00 0.00 C ATOM 295 O VAL E 3 -4.781 -2.662 -2.116 1.00 0.00 O ATOM 296 CB VAL E 3 -3.595 -3.887 0.291 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.255 -2.517 0.878 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.331 -4.969 1.344 1.00 0.00 C ATOM 0 H VAL E 3 -4.825 -5.353 -1.631 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.689 -3.832 0.780 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.976 -4.073 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.204 -2.495 1.166 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.443 -1.745 0.132 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.875 -2.333 1.755 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.280 -4.948 1.631 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.951 -4.782 2.221 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.574 -5.947 0.929 1.00 0.00 H new ATOM 308 N HIS E 4 -6.239 -1.824 -0.612 1.00 0.00 N ATOM 309 CA HIS E 4 -6.541 -0.660 -1.411 1.00 0.00 C ATOM 310 C HIS E 4 -6.148 0.618 -0.678 1.00 0.00 C ATOM 311 O HIS E 4 -6.494 0.800 0.490 1.00 0.00 O ATOM 312 CB HIS E 4 -8.036 -0.689 -1.768 1.00 0.00 C ATOM 313 CG HIS E 4 -8.284 0.151 -2.987 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.643 -0.371 -4.246 1.00 0.00 N ATOM 315 CD2 HIS E 4 -8.232 1.490 -3.139 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.787 0.672 -5.078 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.554 1.832 -4.454 1.00 0.00 N ATOM 0 H HIS E 4 -6.738 -1.871 0.277 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.960 -0.675 -2.333 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.356 -1.715 -1.951 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.626 -0.315 -0.931 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.979 2.193 -2.359 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -9.057 0.586 -6.120 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -8.602 2.769 -4.854 1.00 0.00 H new ATOM 325 N LEU E 5 -5.408 1.495 -1.365 1.00 0.00 N ATOM 326 CA LEU E 5 -4.933 2.747 -0.765 1.00 0.00 C ATOM 327 C LEU E 5 -5.310 3.926 -1.655 1.00 0.00 C ATOM 328 O LEU E 5 -4.880 3.994 -2.808 1.00 0.00 O ATOM 329 CB LEU E 5 -3.404 2.677 -0.652 1.00 0.00 C ATOM 330 CG LEU E 5 -2.971 1.256 -0.249 1.00 0.00 C ATOM 331 CD1 LEU E 5 -1.474 1.091 -0.471 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.302 0.996 1.226 1.00 0.00 C ATOM 0 H LEU E 5 -5.125 1.361 -2.336 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.387 2.881 0.217 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.948 2.949 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -3.052 3.397 0.087 1.00 0.00 H new ATOM 0 HG LEU E 5 -3.512 0.538 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -1.173 0.084 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -1.242 1.253 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -0.934 1.818 0.136 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -2.990 -0.013 1.497 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -2.775 1.718 1.850 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -4.376 1.098 1.381 1.00 0.00 H new ATOM 344 N GLN E 6 -6.083 4.863 -1.116 1.00 0.00 N ATOM 345 CA GLN E 6 -6.475 6.048 -1.879 1.00 0.00 C ATOM 346 C GLN E 6 -6.114 7.293 -1.084 1.00 0.00 C ATOM 347 O GLN E 6 -6.763 7.614 -0.089 1.00 0.00 O ATOM 348 CB GLN E 6 -7.978 6.009 -2.162 1.00 0.00 C ATOM 349 CG GLN E 6 -8.361 7.183 -3.067 1.00 0.00 C ATOM 350 CD GLN E 6 -9.869 7.210 -3.295 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.658 7.349 -2.350 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.319 7.082 -4.513 1.00 0.00 N ATOM 0 H GLN E 6 -6.448 4.829 -0.164 1.00 0.00 H new ATOM 0 HA GLN E 6 -5.946 6.067 -2.832 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.244 5.066 -2.640 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.536 6.060 -1.227 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.039 8.120 -2.613 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.844 7.097 -4.023 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.666 6.968 -5.288 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.323 7.096 -4.690 1.00 0.00 H new ATOM 361 N ILE E 7 -5.064 7.988 -1.524 1.00 0.00 N ATOM 362 CA ILE E 7 -4.604 9.198 -0.839 1.00 0.00 C ATOM 363 C ILE E 7 -4.726 10.403 -1.763 1.00 0.00 C ATOM 364 O ILE E 7 -5.031 11.475 -1.268 1.00 0.00 O ATOM 365 CB ILE E 7 -3.140 9.031 -0.416 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.016 7.820 0.510 1.00 0.00 C ATOM 367 CG2 ILE E 7 -2.678 10.289 0.329 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.538 7.501 0.734 1.00 0.00 C ATOM 369 OXT ILE E 7 -4.521 10.235 -2.954 1.00 0.00 O ATOM 0 H ILE E 7 -4.518 7.736 -2.348 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.224 9.357 0.043 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.519 8.882 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.503 8.026 1.463 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.523 6.960 0.072 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -1.637 10.172 0.630 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -2.771 11.155 -0.327 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -3.298 10.436 1.214 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.448 6.638 1.394 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.065 7.278 -0.222 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.046 8.360 1.190 1.00 0.00 H new TER 381 ILE E 7 ATOM 382 N ILE G 1 -1.139 -11.487 -3.897 1.00 0.00 N ATOM 383 CA ILE G 1 -2.050 -10.443 -3.353 1.00 0.00 C ATOM 384 C ILE G 1 -2.182 -9.322 -4.376 1.00 0.00 C ATOM 385 O ILE G 1 -1.326 -9.158 -5.255 1.00 0.00 O ATOM 386 CB ILE G 1 -1.492 -9.897 -1.996 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.816 -8.521 -2.148 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.458 -10.864 -1.410 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.413 -8.635 -3.055 1.00 0.00 C ATOM 0 H1 ILE G 1 -1.212 -12.347 -3.317 1.00 0.00 H new ATOM 0 H2 ILE G 1 -1.408 -11.706 -4.877 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.160 -11.138 -3.877 1.00 0.00 H new ATOM 0 HA ILE G 1 -3.034 -10.871 -3.163 1.00 0.00 H new ATOM 0 HB ILE G 1 -2.352 -9.798 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.522 -7.805 -2.568 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.521 -8.142 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE G 1 -0.082 -10.467 -0.467 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.925 -11.833 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE G 1 0.369 -10.980 -2.110 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.883 -7.657 -3.156 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.124 -9.336 -2.618 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.108 -8.994 -4.038 1.00 0.00 H new ATOM 403 N HIS G 2 -3.236 -8.512 -4.225 1.00 0.00 N ATOM 404 CA HIS G 2 -3.417 -7.363 -5.107 1.00 0.00 C ATOM 405 C HIS G 2 -3.225 -6.093 -4.286 1.00 0.00 C ATOM 406 O HIS G 2 -3.938 -5.872 -3.307 1.00 0.00 O ATOM 407 CB HIS G 2 -4.837 -7.376 -5.724 1.00 0.00 C ATOM 408 CG HIS G 2 -4.852 -8.199 -6.992 1.00 0.00 C ATOM 409 ND1 HIS G 2 -5.091 -7.638 -8.244 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.668 -9.542 -7.218 1.00 0.00 C ATOM 411 CE1 HIS G 2 -5.040 -8.632 -9.150 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.787 -9.811 -8.578 1.00 0.00 N ATOM 0 H HIS G 2 -3.960 -8.629 -3.516 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.690 -7.404 -5.918 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.548 -7.787 -5.007 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.156 -6.356 -5.941 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.462 -10.278 -6.455 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.186 -8.493 -10.211 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.700 -10.716 -9.039 1.00 0.00 H new ATOM 420 N VAL G 3 -2.297 -5.241 -4.716 1.00 0.00 N ATOM 421 CA VAL G 3 -2.063 -3.963 -4.043 1.00 0.00 C ATOM 422 C VAL G 3 -2.406 -2.826 -4.980 1.00 0.00 C ATOM 423 O VAL G 3 -1.874 -2.756 -6.090 1.00 0.00 O ATOM 424 CB VAL G 3 -0.598 -3.854 -3.598 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.363 -2.474 -2.958 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.273 -4.978 -2.574 1.00 0.00 C ATOM 0 H VAL G 3 -1.697 -5.410 -5.523 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.699 -3.906 -3.159 1.00 0.00 H new ATOM 0 HB VAL G 3 0.056 -3.967 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.677 -2.392 -2.640 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.582 -1.693 -3.686 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -1.017 -2.358 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.768 -4.896 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.922 -4.876 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.437 -5.951 -3.037 1.00 0.00 H new ATOM 436 N HIS G 4 -3.274 -1.925 -4.535 1.00 0.00 N ATOM 437 CA HIS G 4 -3.650 -0.778 -5.361 1.00 0.00 C ATOM 438 C HIS G 4 -3.226 0.503 -4.646 1.00 0.00 C ATOM 439 O HIS G 4 -3.551 0.698 -3.474 1.00 0.00 O ATOM 440 CB HIS G 4 -5.186 -0.801 -5.609 1.00 0.00 C ATOM 441 CG HIS G 4 -5.621 -2.105 -6.294 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.813 -2.776 -5.971 1.00 0.00 N ATOM 443 CD2 HIS G 4 -5.030 -2.882 -7.275 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.880 -3.883 -6.733 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.826 -3.999 -7.542 1.00 0.00 N ATOM 0 H HIS G 4 -3.726 -1.962 -3.621 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.149 -0.822 -6.328 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.711 -0.693 -4.660 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.469 0.050 -6.229 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -4.092 -2.658 -7.762 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.692 -4.594 -6.694 1.00 0.00 H new ATOM 452 N LEU G 5 -2.503 1.373 -5.357 1.00 0.00 N ATOM 453 CA LEU G 5 -2.031 2.639 -4.782 1.00 0.00 C ATOM 454 C LEU G 5 -2.394 3.805 -5.681 1.00 0.00 C ATOM 455 O LEU G 5 -1.863 3.938 -6.785 1.00 0.00 O ATOM 456 CB LEU G 5 -0.511 2.566 -4.595 1.00 0.00 C ATOM 457 CG LEU G 5 0.058 3.931 -4.180 1.00 0.00 C ATOM 458 CD1 LEU G 5 -0.612 4.409 -2.886 1.00 0.00 C ATOM 459 CD2 LEU G 5 1.579 3.798 -3.966 1.00 0.00 C ATOM 0 H LEU G 5 -2.232 1.226 -6.329 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.513 2.797 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.270 1.821 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.042 2.239 -5.523 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.139 4.661 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU G 5 -0.202 5.378 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -1.686 4.503 -3.046 1.00 0.00 H new ATOM 0 HD13 LEU G 5 -0.425 3.687 -2.091 1.00 0.00 H new ATOM 0 HD21 LEU G 5 1.991 4.763 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU G 5 1.774 3.066 -3.182 1.00 0.00 H new ATOM 0 HD23 LEU G 5 2.050 3.471 -4.893 1.00 0.00 H new ATOM 471 N GLN G 6 -3.272 4.671 -5.181 1.00 0.00 N ATOM 472 CA GLN G 6 -3.682 5.855 -5.926 1.00 0.00 C ATOM 473 C GLN G 6 -3.345 7.096 -5.115 1.00 0.00 C ATOM 474 O GLN G 6 -3.937 7.346 -4.067 1.00 0.00 O ATOM 475 CB GLN G 6 -5.182 5.795 -6.214 1.00 0.00 C ATOM 476 CG GLN G 6 -5.562 6.967 -7.110 1.00 0.00 C ATOM 477 CD GLN G 6 -7.063 6.991 -7.362 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.870 6.873 -6.428 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.484 7.136 -8.589 1.00 0.00 N ATOM 0 H GLN G 6 -3.711 4.574 -4.266 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.151 5.894 -6.877 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.435 4.852 -6.700 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.746 5.835 -5.282 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.252 7.902 -6.644 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.031 6.892 -8.059 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.812 7.232 -9.351 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.485 7.153 -8.786 1.00 0.00 H new ATOM 488 N ILE G 7 -2.371 7.861 -5.603 1.00 0.00 N ATOM 489 CA ILE G 7 -1.927 9.072 -4.913 1.00 0.00 C ATOM 490 C ILE G 7 -2.187 10.293 -5.788 1.00 0.00 C ATOM 491 O ILE G 7 -1.685 10.317 -6.900 1.00 0.00 O ATOM 492 CB ILE G 7 -0.425 8.964 -4.618 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.114 7.621 -3.930 1.00 0.00 C ATOM 494 CG2 ILE G 7 -0.013 10.119 -3.693 1.00 0.00 C ATOM 495 CD1 ILE G 7 1.374 7.288 -4.088 1.00 0.00 C ATOM 496 OXT ILE G 7 -2.889 11.184 -5.338 1.00 0.00 O ATOM 0 H ILE G 7 -1.874 7.665 -6.472 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.479 9.178 -3.979 1.00 0.00 H new ATOM 0 HB ILE G 7 0.131 9.018 -5.554 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.374 7.675 -2.873 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.722 6.829 -4.367 1.00 0.00 H new ATOM 0 HG21 ILE G 7 1.053 10.050 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -0.224 11.070 -4.182 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -0.576 10.058 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.588 6.337 -3.600 1.00 0.00 H new ATOM 0 HD12 ILE G 7 1.620 7.215 -5.147 1.00 0.00 H new ATOM 0 HD13 ILE G 7 1.974 8.074 -3.630 1.00 0.00 H new TER 508 ILE G 7 ATOM 509 N ILE I 1 0.986 -11.742 -8.256 1.00 0.00 N ATOM 510 CA ILE I 1 0.808 -10.503 -7.447 1.00 0.00 C ATOM 511 C ILE I 1 0.649 -9.303 -8.376 1.00 0.00 C ATOM 512 O ILE I 1 1.425 -9.135 -9.319 1.00 0.00 O ATOM 513 CB ILE I 1 2.034 -10.296 -6.545 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.094 -11.437 -5.515 1.00 0.00 C ATOM 515 CG2 ILE I 1 1.937 -8.930 -5.845 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.437 -11.404 -4.787 1.00 0.00 C ATOM 0 H1 ILE I 1 0.646 -12.562 -7.714 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.443 -11.661 -9.139 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.994 -11.869 -8.480 1.00 0.00 H new ATOM 0 HA ILE I 1 -0.084 -10.602 -6.828 1.00 0.00 H new ATOM 0 HB ILE I 1 2.946 -10.309 -7.141 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.279 -11.336 -4.799 1.00 0.00 H new ATOM 0 HG13 ILE I 1 1.963 -12.397 -6.014 1.00 0.00 H new ATOM 0 HG21 ILE I 1 2.808 -8.786 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE I 1 1.902 -8.139 -6.594 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.032 -8.896 -5.238 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.476 -12.214 -4.058 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.245 -11.526 -5.508 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.550 -10.449 -4.274 1.00 0.00 H new ATOM 530 N HIS I 2 -0.354 -8.455 -8.103 1.00 0.00 N ATOM 531 CA HIS I 2 -0.576 -7.278 -8.919 1.00 0.00 C ATOM 532 C HIS I 2 -0.299 -6.020 -8.102 1.00 0.00 C ATOM 533 O HIS I 2 -0.936 -5.790 -7.076 1.00 0.00 O ATOM 534 CB HIS I 2 -2.060 -7.285 -9.350 1.00 0.00 C ATOM 535 CG HIS I 2 -2.443 -5.961 -9.958 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.725 -5.401 -9.840 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.721 -5.083 -10.708 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.718 -4.242 -10.508 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.532 -3.991 -11.058 1.00 0.00 N ATOM 0 H HIS I 2 -1.011 -8.570 -7.331 1.00 0.00 H new ATOM 0 HA HIS I 2 0.085 -7.287 -9.785 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.231 -8.085 -10.070 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.694 -7.492 -8.488 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.686 -5.207 -10.990 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.573 -3.588 -10.591 1.00 0.00 H new ATOM 546 N VAL I 3 0.614 -5.179 -8.593 1.00 0.00 N ATOM 547 CA VAL I 3 0.918 -3.908 -7.930 1.00 0.00 C ATOM 548 C VAL I 3 0.601 -2.747 -8.859 1.00 0.00 C ATOM 549 O VAL I 3 1.170 -2.667 -9.949 1.00 0.00 O ATOM 550 CB VAL I 3 2.395 -3.865 -7.542 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.734 -2.486 -6.977 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.675 -4.931 -6.477 1.00 0.00 C ATOM 0 H VAL I 3 1.153 -5.353 -9.442 1.00 0.00 H new ATOM 0 HA VAL I 3 0.307 -3.824 -7.032 1.00 0.00 H new ATOM 0 HB VAL I 3 3.006 -4.059 -8.423 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.788 -2.455 -6.700 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.535 -1.725 -7.731 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.122 -2.293 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.729 -4.901 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.063 -4.736 -5.597 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.433 -5.916 -6.876 1.00 0.00 H new ATOM 562 N HIS I 4 -0.270 -1.820 -8.427 1.00 0.00 N ATOM 563 CA HIS I 4 -0.589 -0.664 -9.231 1.00 0.00 C ATOM 564 C HIS I 4 -0.196 0.628 -8.525 1.00 0.00 C ATOM 565 O HIS I 4 -0.537 0.834 -7.360 1.00 0.00 O ATOM 566 CB HIS I 4 -2.085 -0.706 -9.573 1.00 0.00 C ATOM 567 CG HIS I 4 -2.351 0.124 -10.798 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.709 -0.412 -12.050 1.00 0.00 N ATOM 569 CD2 HIS I 4 -2.332 1.462 -10.956 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.889 0.621 -12.885 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.677 1.789 -12.270 1.00 0.00 N ATOM 0 H HIS I 4 -0.754 -1.862 -7.530 1.00 0.00 H new ATOM 0 HA HIS I 4 -0.014 -0.687 -10.157 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.399 -1.735 -9.745 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.670 -0.330 -8.734 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -2.087 2.175 -10.183 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -3.170 0.522 -13.923 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.751 2.722 -12.675 1.00 0.00 H new ATOM 579 N LEU I 5 0.532 1.494 -9.239 1.00 0.00 N ATOM 580 CA LEU I 5 1.005 2.760 -8.668 1.00 0.00 C ATOM 581 C LEU I 5 0.605 3.927 -9.565 1.00 0.00 C ATOM 582 O LEU I 5 1.041 3.999 -10.716 1.00 0.00 O ATOM 583 CB LEU I 5 2.536 2.702 -8.583 1.00 0.00 C ATOM 584 CG LEU I 5 2.984 1.295 -8.153 1.00 0.00 C ATOM 585 CD1 LEU I 5 4.483 1.142 -8.375 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.658 1.061 -6.673 1.00 0.00 C ATOM 0 H LEU I 5 0.806 1.342 -10.210 1.00 0.00 H new ATOM 0 HA LEU I 5 0.563 2.905 -7.682 1.00 0.00 H new ATOM 0 HB2 LEU I 5 2.972 2.952 -9.550 1.00 0.00 H new ATOM 0 HB3 LEU I 5 2.897 3.442 -7.869 1.00 0.00 H new ATOM 0 HG LEU I 5 2.450 0.559 -8.753 1.00 0.00 H new ATOM 0 HD11 LEU I 5 4.796 0.144 -8.069 1.00 0.00 H new ATOM 0 HD12 LEU I 5 4.711 1.286 -9.431 1.00 0.00 H new ATOM 0 HD13 LEU I 5 5.016 1.887 -7.784 1.00 0.00 H new ATOM 0 HD21 LEU I 5 2.981 0.061 -6.383 1.00 0.00 H new ATOM 0 HD22 LEU I 5 3.178 1.801 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU I 5 1.583 1.154 -6.518 1.00 0.00 H new ATOM 598 N GLN I 6 -0.189 4.852 -9.033 1.00 0.00 N ATOM 599 CA GLN I 6 -0.600 6.027 -9.800 1.00 0.00 C ATOM 600 C GLN I 6 -0.240 7.284 -9.026 1.00 0.00 C ATOM 601 O GLN I 6 -0.878 7.614 -8.027 1.00 0.00 O ATOM 602 CB GLN I 6 -2.107 5.969 -10.071 1.00 0.00 C ATOM 603 CG GLN I 6 -2.517 7.148 -10.957 1.00 0.00 C ATOM 604 CD GLN I 6 -4.028 7.154 -11.186 1.00 0.00 C ATOM 605 OE1 GLN I 6 -4.818 7.295 -10.247 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.479 7.002 -12.400 1.00 0.00 N ATOM 0 H GLN I 6 -0.558 4.813 -8.083 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.080 6.043 -10.758 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.363 5.029 -10.559 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.657 6.000 -9.130 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.212 8.084 -10.489 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.000 7.087 -11.914 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.827 6.886 -13.176 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.484 7.000 -12.574 1.00 0.00 H new ATOM 615 N ILE I 7 0.798 7.982 -9.491 1.00 0.00 N ATOM 616 CA ILE I 7 1.256 9.205 -8.830 1.00 0.00 C ATOM 617 C ILE I 7 1.097 10.399 -9.764 1.00 0.00 C ATOM 618 O ILE I 7 0.760 11.465 -9.277 1.00 0.00 O ATOM 619 CB ILE I 7 2.732 9.064 -8.438 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.892 7.875 -7.487 1.00 0.00 C ATOM 621 CG2 ILE I 7 3.197 10.344 -7.732 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.380 7.577 -7.288 1.00 0.00 C ATOM 623 OXT ILE I 7 1.308 10.228 -10.954 1.00 0.00 O ATOM 0 H ILE I 7 1.335 7.723 -10.319 1.00 0.00 H new ATOM 0 HA ILE I 7 0.653 9.364 -7.936 1.00 0.00 H new ATOM 0 HB ILE I 7 3.333 8.902 -9.333 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.423 8.097 -6.528 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.386 6.999 -7.894 1.00 0.00 H new ATOM 0 HG21 ILE I 7 4.246 10.245 -7.453 1.00 0.00 H new ATOM 0 HG22 ILE I 7 3.079 11.194 -8.404 1.00 0.00 H new ATOM 0 HG23 ILE I 7 2.597 10.504 -6.836 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.494 6.730 -6.611 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.835 7.337 -8.249 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.872 8.451 -6.862 1.00 0.00 H new TER 635 ILE I 7 ATOM 636 N ILE K 1 4.912 -11.550 -11.691 1.00 0.00 N ATOM 637 CA ILE K 1 4.053 -10.485 -11.098 1.00 0.00 C ATOM 638 C ILE K 1 3.839 -9.387 -12.135 1.00 0.00 C ATOM 639 O ILE K 1 4.650 -9.223 -13.046 1.00 0.00 O ATOM 640 CB ILE K 1 4.727 -9.912 -9.807 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.400 -8.547 -10.054 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.796 -10.874 -9.281 1.00 0.00 C ATOM 643 CD1 ILE K 1 6.528 -8.682 -11.086 1.00 0.00 C ATOM 0 H1 ILE K 1 4.966 -12.357 -11.037 1.00 0.00 H new ATOM 0 H2 ILE K 1 4.502 -11.864 -12.594 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.867 -11.173 -11.857 1.00 0.00 H new ATOM 0 HA ILE K 1 3.085 -10.900 -10.816 1.00 0.00 H new ATOM 0 HB ILE K 1 3.927 -9.788 -9.078 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.660 -7.829 -10.407 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.800 -8.158 -9.118 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.252 -10.456 -8.383 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.336 -11.833 -9.042 1.00 0.00 H new ATOM 0 HG23 ILE K 1 6.562 -11.019 -10.043 1.00 0.00 H new ATOM 0 HD11 ILE K 1 6.992 -7.709 -11.248 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.276 -9.384 -10.717 1.00 0.00 H new ATOM 0 HD13 ILE K 1 6.118 -9.050 -12.027 1.00 0.00 H new ATOM 657 N HIS K 2 2.781 -8.590 -11.952 1.00 0.00 N ATOM 658 CA HIS K 2 2.534 -7.461 -12.848 1.00 0.00 C ATOM 659 C HIS K 2 2.773 -6.175 -12.065 1.00 0.00 C ATOM 660 O HIS K 2 2.130 -5.943 -11.040 1.00 0.00 O ATOM 661 CB HIS K 2 1.073 -7.488 -13.355 1.00 0.00 C ATOM 662 CG HIS K 2 0.963 -8.310 -14.612 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.595 -7.753 -15.831 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.165 -9.646 -14.855 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.588 -8.744 -16.741 1.00 0.00 C ATOM 666 NE2 HIS K 2 0.927 -9.918 -16.198 1.00 0.00 N ATOM 0 H HIS K 2 2.095 -8.704 -11.206 1.00 0.00 H new ATOM 0 HA HIS K 2 3.201 -7.519 -13.708 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.423 -7.903 -12.585 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.730 -6.471 -13.548 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.463 -10.375 -14.116 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.339 -8.608 -17.783 1.00 0.00 H new ATOM 0 HE2 HIS K 2 0.996 -10.820 -16.668 1.00 0.00 H new ATOM 674 N VAL K 3 3.666 -5.326 -12.570 1.00 0.00 N ATOM 675 CA VAL K 3 3.945 -4.041 -11.929 1.00 0.00 C ATOM 676 C VAL K 3 3.533 -2.911 -12.853 1.00 0.00 C ATOM 677 O VAL K 3 3.986 -2.854 -13.996 1.00 0.00 O ATOM 678 CB VAL K 3 5.441 -3.932 -11.602 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.742 -2.532 -11.039 1.00 0.00 C ATOM 680 CG2 VAL K 3 5.838 -5.026 -10.570 1.00 0.00 C ATOM 0 H VAL K 3 4.207 -5.503 -13.417 1.00 0.00 H new ATOM 0 HA VAL K 3 3.376 -3.972 -11.002 1.00 0.00 H new ATOM 0 HB VAL K 3 6.024 -4.083 -12.511 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.804 -2.454 -10.807 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.476 -1.777 -11.779 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.159 -2.372 -10.132 1.00 0.00 H new ATOM 0 HG21 VAL K 3 6.901 -4.943 -10.342 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.260 -4.891 -9.656 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.632 -6.012 -10.987 1.00 0.00 H new ATOM 690 N HIS K 4 2.696 -2.000 -12.365 1.00 0.00 N ATOM 691 CA HIS K 4 2.269 -0.859 -13.182 1.00 0.00 C ATOM 692 C HIS K 4 2.735 0.431 -12.513 1.00 0.00 C ATOM 693 O HIS K 4 2.494 0.643 -11.321 1.00 0.00 O ATOM 694 CB HIS K 4 0.723 -0.872 -13.356 1.00 0.00 C ATOM 695 CG HIS K 4 0.239 -2.186 -13.981 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.939 -2.838 -13.574 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.762 -2.987 -14.978 1.00 0.00 C ATOM 698 CE1 HIS K 4 -1.060 -3.957 -14.308 1.00 0.00 C ATOM 699 NE2 HIS K 4 -0.056 -4.098 -15.177 1.00 0.00 N ATOM 0 H HIS K 4 2.303 -2.024 -11.424 1.00 0.00 H new ATOM 0 HA HIS K 4 2.715 -0.925 -14.174 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.245 -0.731 -12.386 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.420 -0.035 -13.985 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.671 -2.782 -15.523 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.874 -4.660 -14.207 1.00 0.00 H new ATOM 706 N LEU K 5 3.401 1.292 -13.284 1.00 0.00 N ATOM 707 CA LEU K 5 3.905 2.568 -12.763 1.00 0.00 C ATOM 708 C LEU K 5 3.478 3.715 -13.660 1.00 0.00 C ATOM 709 O LEU K 5 3.912 3.807 -14.808 1.00 0.00 O ATOM 710 CB LEU K 5 5.441 2.506 -12.677 1.00 0.00 C ATOM 711 CG LEU K 5 6.023 3.881 -12.317 1.00 0.00 C ATOM 712 CD1 LEU K 5 5.433 4.370 -10.991 1.00 0.00 C ATOM 713 CD2 LEU K 5 7.556 3.767 -12.193 1.00 0.00 C ATOM 0 H LEU K 5 3.605 1.131 -14.270 1.00 0.00 H new ATOM 0 HA LEU K 5 3.489 2.740 -11.770 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.738 1.773 -11.927 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.850 2.171 -13.630 1.00 0.00 H new ATOM 0 HG LEU K 5 5.770 4.596 -13.100 1.00 0.00 H new ATOM 0 HD11 LEU K 5 5.852 5.346 -10.744 1.00 0.00 H new ATOM 0 HD12 LEU K 5 4.350 4.453 -11.083 1.00 0.00 H new ATOM 0 HD13 LEU K 5 5.677 3.660 -10.201 1.00 0.00 H new ATOM 0 HD21 LEU K 5 7.974 4.741 -11.938 1.00 0.00 H new ATOM 0 HD22 LEU K 5 7.805 3.049 -11.412 1.00 0.00 H new ATOM 0 HD23 LEU K 5 7.974 3.431 -13.142 1.00 0.00 H new ATOM 725 N GLN K 6 2.654 4.608 -13.119 1.00 0.00 N ATOM 726 CA GLN K 6 2.197 5.774 -13.868 1.00 0.00 C ATOM 727 C GLN K 6 2.574 7.034 -13.103 1.00 0.00 C ATOM 728 O GLN K 6 1.991 7.340 -12.063 1.00 0.00 O ATOM 729 CB GLN K 6 0.679 5.707 -14.065 1.00 0.00 C ATOM 730 CG GLN K 6 0.236 6.842 -14.987 1.00 0.00 C ATOM 731 CD GLN K 6 -1.284 6.849 -15.131 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.010 6.712 -14.148 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.811 7.001 -16.312 1.00 0.00 N ATOM 0 H GLN K 6 2.290 4.547 -12.168 1.00 0.00 H new ATOM 0 HA GLN K 6 2.672 5.790 -14.849 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.399 4.745 -14.494 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.173 5.786 -13.103 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.574 7.798 -14.586 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.700 6.725 -15.966 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.210 7.115 -17.128 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.825 7.006 -16.421 1.00 0.00 H new ATOM 742 N ILE K 7 3.570 7.753 -13.618 1.00 0.00 N ATOM 743 CA ILE K 7 4.048 8.975 -12.970 1.00 0.00 C ATOM 744 C ILE K 7 3.675 10.185 -13.822 1.00 0.00 C ATOM 745 O ILE K 7 4.092 10.226 -14.968 1.00 0.00 O ATOM 746 CB ILE K 7 5.576 8.910 -12.820 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.978 7.613 -12.104 1.00 0.00 C ATOM 748 CG2 ILE K 7 6.050 10.100 -11.978 1.00 0.00 C ATOM 749 CD1 ILE K 7 7.483 7.359 -12.284 1.00 0.00 C ATOM 750 OXT ILE K 7 2.972 11.047 -13.321 1.00 0.00 O ATOM 0 H ILE K 7 4.061 7.512 -14.479 1.00 0.00 H new ATOM 0 HA ILE K 7 3.587 9.067 -11.986 1.00 0.00 H new ATOM 0 HB ILE K 7 6.032 8.938 -13.810 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.737 7.683 -11.043 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.409 6.775 -12.505 1.00 0.00 H new ATOM 0 HG21 ILE K 7 7.134 10.059 -11.868 1.00 0.00 H new ATOM 0 HG22 ILE K 7 5.770 11.030 -12.473 1.00 0.00 H new ATOM 0 HG23 ILE K 7 5.584 10.058 -10.994 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.760 6.437 -11.773 1.00 0.00 H new ATOM 0 HD12 ILE K 7 7.712 7.268 -13.346 1.00 0.00 H new ATOM 0 HD13 ILE K 7 8.046 8.191 -11.861 1.00 0.00 H new TER 762 ILE K 7 ATOM 763 N ILE O 1 -4.135 11.372 12.755 1.00 0.00 N ATOM 764 CA ILE O 1 -4.849 10.133 13.179 1.00 0.00 C ATOM 765 C ILE O 1 -3.947 8.927 12.938 1.00 0.00 C ATOM 766 O ILE O 1 -3.364 8.779 11.861 1.00 0.00 O ATOM 767 CB ILE O 1 -6.150 9.995 12.375 1.00 0.00 C ATOM 768 CG1 ILE O 1 -7.103 11.130 12.768 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.805 8.641 12.676 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.259 11.197 11.769 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.469 12.177 13.322 1.00 0.00 H new ATOM 0 H2 ILE O 1 -3.112 11.249 12.897 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.325 11.555 11.749 1.00 0.00 H new ATOM 0 HA ILE O 1 -5.094 10.188 14.240 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.930 10.052 11.309 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.488 10.964 13.774 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.567 12.079 12.784 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.728 8.548 12.103 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.123 7.837 12.399 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -7.030 8.574 13.740 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.936 12.004 12.049 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.866 11.384 10.770 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.800 10.251 11.775 1.00 0.00 H new ATOM 784 N HIS O 2 -3.830 8.063 13.949 1.00 0.00 N ATOM 785 CA HIS O 2 -3.006 6.888 13.834 1.00 0.00 C ATOM 786 C HIS O 2 -3.883 5.642 13.846 1.00 0.00 C ATOM 787 O HIS O 2 -4.616 5.402 14.806 1.00 0.00 O ATOM 788 CB HIS O 2 -2.081 6.884 15.070 1.00 0.00 C ATOM 789 CG HIS O 2 -1.410 5.553 15.248 1.00 0.00 C ATOM 790 ND1 HIS O 2 -1.090 5.031 16.508 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.965 4.643 14.339 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.476 3.856 16.311 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.368 3.565 15.013 1.00 0.00 N ATOM 0 H HIS O 2 -4.300 8.167 14.849 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.433 6.892 12.907 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.326 7.663 14.963 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.661 7.123 15.961 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.288 5.465 17.409 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -1.057 4.735 13.267 1.00 0.00 H new ATOM 0 HE1 HIS O 2 -0.113 3.222 17.106 1.00 0.00 H new ATOM 800 N VAL O 3 -3.767 4.829 12.798 1.00 0.00 N ATOM 801 CA VAL O 3 -4.515 3.574 12.719 1.00 0.00 C ATOM 802 C VAL O 3 -3.551 2.401 12.657 1.00 0.00 C ATOM 803 O VAL O 3 -2.731 2.331 11.740 1.00 0.00 O ATOM 804 CB VAL O 3 -5.400 3.578 11.474 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.088 2.220 11.339 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.462 4.674 11.603 1.00 0.00 C ATOM 0 H VAL O 3 -3.166 5.014 11.995 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.141 3.476 13.606 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.787 3.769 10.593 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.721 2.219 10.451 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.334 1.438 11.248 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.700 2.033 12.221 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -7.093 4.676 10.714 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -7.076 4.484 12.483 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.974 5.643 11.704 1.00 0.00 H new ATOM 816 N HIS O 4 -3.661 1.459 13.600 1.00 0.00 N ATOM 817 CA HIS O 4 -2.815 0.290 13.593 1.00 0.00 C ATOM 818 C HIS O 4 -3.646 -0.976 13.440 1.00 0.00 C ATOM 819 O HIS O 4 -4.640 -1.160 14.142 1.00 0.00 O ATOM 820 CB HIS O 4 -1.975 0.277 14.882 1.00 0.00 C ATOM 821 CG HIS O 4 -0.747 -0.565 14.674 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.563 -0.049 14.630 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.632 -1.897 14.487 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.387 -1.087 14.421 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.712 -2.239 14.330 1.00 0.00 N ATOM 0 H HIS O 4 -4.329 1.495 14.370 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.140 0.325 12.738 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.690 1.294 15.153 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.565 -0.119 15.709 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.457 -2.594 14.463 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.460 -1.003 14.337 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.098 -3.171 14.178 1.00 0.00 H new ATOM 833 N LEU O 5 -3.245 -1.837 12.503 1.00 0.00 N ATOM 834 CA LEU O 5 -3.981 -3.073 12.230 1.00 0.00 C ATOM 835 C LEU O 5 -3.029 -4.262 12.263 1.00 0.00 C ATOM 836 O LEU O 5 -2.058 -4.300 11.505 1.00 0.00 O ATOM 837 CB LEU O 5 -4.598 -2.967 10.831 1.00 0.00 C ATOM 838 CG LEU O 5 -5.145 -1.543 10.612 1.00 0.00 C ATOM 839 CD1 LEU O 5 -5.430 -1.318 9.132 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.434 -1.333 11.420 1.00 0.00 C ATOM 0 H LEU O 5 -2.418 -1.702 11.922 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.756 -3.215 12.983 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -3.849 -3.200 10.074 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -5.400 -3.696 10.721 1.00 0.00 H new ATOM 0 HG LEU O 5 -4.395 -0.828 10.950 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -5.816 -0.309 8.985 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -4.509 -1.441 8.561 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -6.168 -2.043 8.789 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -6.807 -0.322 11.254 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -7.186 -2.054 11.100 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.225 -1.473 12.481 1.00 0.00 H new ATOM 852 N GLN O 6 -3.319 -5.243 13.110 1.00 0.00 N ATOM 853 CA GLN O 6 -2.486 -6.441 13.193 1.00 0.00 C ATOM 854 C GLN O 6 -3.376 -7.669 13.078 1.00 0.00 C ATOM 855 O GLN O 6 -4.107 -8.005 14.009 1.00 0.00 O ATOM 856 CB GLN O 6 -1.732 -6.457 14.521 1.00 0.00 C ATOM 857 CG GLN O 6 -0.751 -7.629 14.537 1.00 0.00 C ATOM 858 CD GLN O 6 -0.063 -7.715 15.893 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.722 -7.899 16.916 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.233 -7.587 15.959 1.00 0.00 N ATOM 0 H GLN O 6 -4.117 -5.235 13.745 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.758 -6.443 12.382 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.195 -5.518 14.658 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.435 -6.546 15.349 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.280 -8.559 14.329 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.007 -7.502 13.750 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.774 -7.435 15.108 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.705 -7.639 16.862 1.00 0.00 H new ATOM 869 N ILE O 7 -3.317 -8.335 11.924 1.00 0.00 N ATOM 870 CA ILE O 7 -4.135 -9.526 11.682 1.00 0.00 C ATOM 871 C ILE O 7 -3.240 -10.731 11.421 1.00 0.00 C ATOM 872 O ILE O 7 -3.571 -11.805 11.896 1.00 0.00 O ATOM 873 CB ILE O 7 -5.046 -9.293 10.472 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.945 -8.085 10.737 1.00 0.00 C ATOM 875 CG2 ILE O 7 -5.923 -10.527 10.248 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.672 -7.703 9.449 1.00 0.00 C ATOM 877 OXT ILE O 7 -2.232 -10.562 10.755 1.00 0.00 O ATOM 0 H ILE O 7 -2.714 -8.072 11.144 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.746 -9.719 12.564 1.00 0.00 H new ATOM 0 HB ILE O 7 -4.433 -9.111 9.589 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -6.667 -8.319 11.519 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -5.349 -7.245 11.094 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.571 -10.361 9.387 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -5.290 -11.395 10.064 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -6.534 -10.705 11.133 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -7.314 -6.842 9.635 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -5.942 -7.452 8.680 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.280 -8.542 9.112 1.00 0.00 H new TER 889 ILE O 7 ATOM 890 N ILE Q 1 -2.049 11.373 8.031 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.304 10.302 9.032 1.00 0.00 C ATOM 892 C ILE Q 1 -1.282 9.184 8.833 1.00 0.00 C ATOM 893 O ILE Q 1 -0.678 9.056 7.759 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.769 9.766 8.880 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -3.819 8.399 8.170 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -4.623 10.746 8.069 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -3.295 8.529 6.733 1.00 0.00 C ATOM 0 H1 ILE Q 1 -2.661 12.189 8.233 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -1.052 11.666 8.082 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -2.255 11.013 7.077 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.198 10.699 10.042 1.00 0.00 H new ATOM 0 HB ILE Q 1 -4.160 9.659 9.892 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -3.219 7.673 8.719 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -4.842 8.024 8.159 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -5.636 10.355 7.975 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -4.652 11.710 8.577 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.189 10.872 7.077 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -3.335 7.557 6.242 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -3.913 9.239 6.183 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -2.264 8.883 6.752 1.00 0.00 H new ATOM 911 N HIS Q 2 -1.125 8.341 9.858 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.224 7.196 9.748 1.00 0.00 C ATOM 913 C HIS Q 2 -1.067 5.924 9.766 1.00 0.00 C ATOM 914 O HIS Q 2 -1.796 5.677 10.728 1.00 0.00 O ATOM 915 CB HIS Q 2 0.770 7.178 10.934 1.00 0.00 C ATOM 916 CG HIS Q 2 1.979 8.033 10.629 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.252 7.494 10.464 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.126 9.390 10.466 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.094 8.515 10.215 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.460 9.690 10.206 1.00 0.00 N ATOM 0 H HIS Q 2 -1.601 8.428 10.756 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.347 7.263 8.822 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.277 7.544 11.834 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.084 6.154 11.137 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.327 10.114 10.530 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.154 8.398 10.043 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 3.867 10.611 10.043 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.928 5.096 8.732 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.643 3.819 8.676 1.00 0.00 C ATOM 930 C VAL Q 3 -0.649 2.680 8.704 1.00 0.00 C ATOM 931 O VAL Q 3 0.256 2.627 7.869 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.498 3.740 7.405 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.190 2.368 7.341 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.565 4.871 7.416 1.00 0.00 C ATOM 0 H VAL Q 3 -0.331 5.283 7.926 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.302 3.744 9.541 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.860 3.865 6.530 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.798 2.309 6.439 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.436 1.581 7.322 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.826 2.240 8.217 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.169 4.810 6.511 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -4.207 4.757 8.289 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -3.068 5.840 7.455 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.822 1.757 9.642 1.00 0.00 N ATOM 945 CA HIS Q 4 0.075 0.605 9.731 1.00 0.00 C ATOM 946 C HIS Q 4 -0.738 -0.668 9.508 1.00 0.00 C ATOM 947 O HIS Q 4 -1.765 -0.877 10.156 1.00 0.00 O ATOM 948 CB HIS Q 4 0.773 0.599 11.121 1.00 0.00 C ATOM 949 CG HIS Q 4 1.544 1.907 11.364 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.558 2.560 12.607 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.319 2.701 10.535 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.303 3.675 12.477 1.00 0.00 C ATOM 953 NE2 HIS Q 4 2.790 3.813 11.239 1.00 0.00 N ATOM 0 H HIS Q 4 -1.562 1.779 10.343 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.850 0.661 8.967 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.027 0.463 11.904 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.458 -0.246 11.183 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.529 2.492 9.496 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.486 4.375 13.279 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.274 -1.514 8.589 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.965 -2.771 8.269 1.00 0.00 C ATOM 962 C LEU Q 5 0.000 -3.938 8.324 1.00 0.00 C ATOM 963 O LEU Q 5 0.904 -4.045 7.495 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.571 -2.654 6.864 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.124 -4.006 6.383 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -3.176 -4.519 7.372 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -2.756 -3.821 4.987 1.00 0.00 C ATOM 0 H LEU Q 5 0.578 -1.355 8.051 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.753 -2.950 9.001 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -2.370 -1.913 6.870 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -0.812 -2.299 6.166 1.00 0.00 H new ATOM 0 HG LEU Q 5 -1.316 -4.735 6.324 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.564 -5.477 7.026 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -2.721 -4.645 8.354 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -3.992 -3.800 7.440 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -3.151 -4.775 4.637 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -3.565 -3.093 5.047 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -1.999 -3.464 4.289 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.223 -4.834 9.281 1.00 0.00 N ATOM 980 CA GLN Q 6 0.610 -6.021 9.419 1.00 0.00 C ATOM 981 C GLN Q 6 -0.268 -7.256 9.300 1.00 0.00 C ATOM 982 O GLN Q 6 -1.131 -7.501 10.142 1.00 0.00 O ATOM 983 CB GLN Q 6 1.326 -6.002 10.768 1.00 0.00 C ATOM 984 CG GLN Q 6 2.299 -7.174 10.828 1.00 0.00 C ATOM 985 CD GLN Q 6 2.973 -7.235 12.189 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.311 -7.137 13.224 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.267 -7.387 12.244 1.00 0.00 N ATOM 0 H GLN Q 6 -0.972 -4.760 9.970 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.364 -6.037 8.632 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.861 -5.061 10.897 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.602 -6.071 11.580 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.767 -8.106 10.636 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 3.052 -7.070 10.047 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.808 -7.467 11.383 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.738 -7.426 13.148 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.056 -8.017 8.231 1.00 0.00 N ATOM 997 CA ILE Q 7 -0.851 -9.217 7.975 1.00 0.00 C ATOM 998 C ILE Q 7 0.061 -10.438 7.900 1.00 0.00 C ATOM 999 O ILE Q 7 0.974 -10.422 7.092 1.00 0.00 O ATOM 1000 CB ILE Q 7 -1.594 -9.055 6.642 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.328 -7.695 6.600 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -2.615 -10.192 6.501 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -2.605 -7.298 5.146 1.00 0.00 C ATOM 1004 OXT ILE Q 7 -0.164 -11.369 8.656 1.00 0.00 O ATOM 0 H ILE Q 7 0.658 -7.826 7.528 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.568 -9.355 8.785 1.00 0.00 H new ATOM 0 HB ILE Q 7 -0.877 -9.091 5.822 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -3.265 -7.760 7.153 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -1.723 -6.930 7.086 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.149 -10.086 5.557 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -2.097 -11.151 6.520 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -3.325 -10.147 7.326 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -3.122 -6.339 5.123 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -1.662 -7.215 4.606 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.228 -8.058 4.674 1.00 0.00 H new TER 1016 ILE Q 7 ATOM 1017 N ILE S 1 1.559 11.722 4.679 1.00 0.00 N ATOM 1018 CA ILE S 1 0.842 10.479 5.080 1.00 0.00 C ATOM 1019 C ILE S 1 1.777 9.280 4.930 1.00 0.00 C ATOM 1020 O ILE S 1 2.452 9.132 3.904 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.392 10.289 4.186 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.395 11.420 4.469 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -1.030 8.920 4.467 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.485 11.418 3.397 1.00 0.00 C ATOM 0 H1 ILE S 1 1.160 12.534 5.192 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.569 11.630 4.909 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.449 11.871 3.656 1.00 0.00 H new ATOM 0 HA ILE S 1 0.525 10.560 6.120 1.00 0.00 H new ATOM 0 HB ILE S 1 -0.100 10.324 3.136 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.840 11.287 5.455 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.882 12.381 4.478 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.905 8.789 3.831 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.307 8.132 4.257 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.331 8.867 5.513 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -3.195 12.220 3.599 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -2.032 11.572 2.418 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -3.006 10.461 3.409 1.00 0.00 H new ATOM 1038 N HIS S 2 1.811 8.414 5.955 1.00 0.00 N ATOM 1039 CA HIS S 2 2.655 7.240 5.908 1.00 0.00 C ATOM 1040 C HIS S 2 1.796 5.981 5.865 1.00 0.00 C ATOM 1041 O HIS S 2 1.002 5.736 6.775 1.00 0.00 O ATOM 1042 CB HIS S 2 3.502 7.232 7.199 1.00 0.00 C ATOM 1043 CG HIS S 2 4.194 5.907 7.378 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.436 5.325 8.635 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.736 5.055 6.465 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.099 4.184 8.426 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.314 3.962 7.132 1.00 0.00 N ATOM 0 H HIS S 2 1.266 8.514 6.811 1.00 0.00 H new ATOM 0 HA HIS S 2 3.287 7.260 5.020 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.242 8.031 7.158 1.00 0.00 H new ATOM 0 HB3 HIS S 2 2.863 7.433 8.059 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.724 5.197 5.394 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.422 3.520 9.214 1.00 0.00 H new ATOM 1054 N VAL S 3 1.997 5.156 4.836 1.00 0.00 N ATOM 1055 CA VAL S 3 1.277 3.887 4.721 1.00 0.00 C ATOM 1056 C VAL S 3 2.260 2.727 4.733 1.00 0.00 C ATOM 1057 O VAL S 3 3.132 2.659 3.868 1.00 0.00 O ATOM 1058 CB VAL S 3 0.472 3.865 3.422 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.172 2.489 3.242 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.625 4.933 3.483 1.00 0.00 C ATOM 0 H VAL S 3 2.649 5.342 4.074 1.00 0.00 H new ATOM 0 HA VAL S 3 0.598 3.787 5.568 1.00 0.00 H new ATOM 0 HB VAL S 3 1.136 4.070 2.582 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.746 2.474 2.315 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.605 1.726 3.200 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.835 2.285 4.083 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.199 4.918 2.557 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.287 4.727 4.324 1.00 0.00 H new ATOM 0 HG23 VAL S 3 -0.170 5.915 3.612 1.00 0.00 H new ATOM 1070 N HIS S 4 2.106 1.789 5.678 1.00 0.00 N ATOM 1071 CA HIS S 4 2.968 0.633 5.730 1.00 0.00 C ATOM 1072 C HIS S 4 2.166 -0.653 5.545 1.00 0.00 C ATOM 1073 O HIS S 4 1.147 -0.856 6.205 1.00 0.00 O ATOM 1074 CB HIS S 4 3.734 0.655 7.063 1.00 0.00 C ATOM 1075 CG HIS S 4 4.984 -0.169 6.943 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.289 0.366 6.941 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.127 -1.506 6.826 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.136 -0.667 6.826 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.483 -1.833 6.755 1.00 0.00 N ATOM 0 H HIS S 4 1.393 1.821 6.406 1.00 0.00 H new ATOM 0 HA HIS S 4 3.688 0.664 4.912 1.00 0.00 H new ATOM 0 HB2 HIS S 4 3.988 1.681 7.331 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.104 0.263 7.862 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.314 -2.217 6.792 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.211 -0.570 6.795 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.890 -2.764 6.667 1.00 0.00 H new ATOM 1087 N LEU S 5 2.628 -1.515 4.631 1.00 0.00 N ATOM 1088 CA LEU S 5 1.933 -2.772 4.331 1.00 0.00 C ATOM 1089 C LEU S 5 2.908 -3.939 4.421 1.00 0.00 C ATOM 1090 O LEU S 5 3.893 -3.981 3.682 1.00 0.00 O ATOM 1091 CB LEU S 5 1.378 -2.690 2.900 1.00 0.00 C ATOM 1092 CG LEU S 5 0.853 -1.269 2.621 1.00 0.00 C ATOM 1093 CD1 LEU S 5 0.640 -1.082 1.123 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.472 -1.036 3.358 1.00 0.00 C ATOM 0 H LEU S 5 3.478 -1.365 4.088 1.00 0.00 H new ATOM 0 HA LEU S 5 1.126 -2.926 5.047 1.00 0.00 H new ATOM 0 HB2 LEU S 5 2.158 -2.946 2.183 1.00 0.00 H new ATOM 0 HB3 LEU S 5 0.575 -3.416 2.770 1.00 0.00 H new ATOM 0 HG LEU S 5 1.589 -0.549 2.978 1.00 0.00 H new ATOM 0 HD11 LEU S 5 0.269 -0.075 0.931 1.00 0.00 H new ATOM 0 HD12 LEU S 5 1.586 -1.226 0.600 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.087 -1.811 0.765 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -0.831 -0.028 3.151 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -1.211 -1.761 3.017 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -0.317 -1.153 4.431 1.00 0.00 H new ATOM 1106 N GLN S 6 2.622 -4.897 5.297 1.00 0.00 N ATOM 1107 CA GLN S 6 3.478 -6.073 5.437 1.00 0.00 C ATOM 1108 C GLN S 6 2.627 -7.326 5.300 1.00 0.00 C ATOM 1109 O GLN S 6 1.857 -7.664 6.198 1.00 0.00 O ATOM 1110 CB GLN S 6 4.178 -6.048 6.799 1.00 0.00 C ATOM 1111 CG GLN S 6 5.169 -7.210 6.889 1.00 0.00 C ATOM 1112 CD GLN S 6 5.816 -7.255 8.273 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.138 -7.438 9.287 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.106 -7.093 8.372 1.00 0.00 N ATOM 0 H GLN S 6 1.812 -4.884 5.916 1.00 0.00 H new ATOM 0 HA GLN S 6 4.240 -6.070 4.658 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.700 -5.101 6.933 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.441 -6.122 7.599 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.655 -8.150 6.691 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.938 -7.100 6.125 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.667 -6.942 7.534 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.554 -7.118 9.288 1.00 0.00 H new ATOM 1123 N ILE S 7 2.761 -8.006 4.160 1.00 0.00 N ATOM 1124 CA ILE S 7 1.987 -9.220 3.898 1.00 0.00 C ATOM 1125 C ILE S 7 2.921 -10.412 3.727 1.00 0.00 C ATOM 1126 O ILE S 7 2.550 -11.495 4.147 1.00 0.00 O ATOM 1127 CB ILE S 7 1.156 -9.041 2.623 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.228 -7.837 2.791 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.313 -10.301 2.380 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.422 -7.505 1.450 1.00 0.00 C ATOM 1131 OXT ILE S 7 3.997 -10.223 3.184 1.00 0.00 O ATOM 0 H ILE S 7 3.395 -7.738 3.407 1.00 0.00 H new ATOM 0 HA ILE S 7 1.324 -9.402 4.744 1.00 0.00 H new ATOM 0 HB ILE S 7 1.820 -8.878 1.774 1.00 0.00 H new ATOM 0 HG12 ILE S 7 -0.538 -8.056 3.535 1.00 0.00 H new ATOM 0 HG13 ILE S 7 0.791 -6.978 3.157 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.278 -10.174 1.473 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.971 -11.163 2.267 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.353 -10.462 3.228 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -1.084 -6.647 1.569 1.00 0.00 H new ATOM 0 HD12 ILE S 7 0.352 -7.268 0.719 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.999 -8.362 1.103 1.00 0.00 H new TER 1143 ILE S 7 ATOM 1144 N ILE U 1 3.760 11.556 -0.043 1.00 0.00 N ATOM 1145 CA ILE U 1 3.499 10.497 0.972 1.00 0.00 C ATOM 1146 C ILE U 1 4.532 9.387 0.811 1.00 0.00 C ATOM 1147 O ILE U 1 5.144 9.238 -0.254 1.00 0.00 O ATOM 1148 CB ILE U 1 2.045 9.940 0.801 1.00 0.00 C ATOM 1149 CG1 ILE U 1 2.023 8.569 0.100 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.189 10.903 -0.027 1.00 0.00 C ATOM 1151 CD1 ILE U 1 2.558 8.699 -1.330 1.00 0.00 C ATOM 0 H1 ILE U 1 3.149 12.376 0.146 1.00 0.00 H new ATOM 0 H2 ILE U 1 4.757 11.848 0.009 1.00 0.00 H new ATOM 0 H3 ILE U 1 3.557 11.184 -0.993 1.00 0.00 H new ATOM 0 HA ILE U 1 3.584 10.914 1.975 1.00 0.00 H new ATOM 0 HB ILE U 1 1.642 9.833 1.808 1.00 0.00 H new ATOM 0 HG12 ILE U 1 2.629 7.856 0.660 1.00 0.00 H new ATOM 0 HG13 ILE U 1 1.006 8.178 0.082 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.183 10.496 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE U 1 1.139 11.869 0.476 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.635 11.030 -1.013 1.00 0.00 H new ATOM 0 HD11 ILE U 1 2.538 7.724 -1.816 1.00 0.00 H new ATOM 0 HD12 ILE U 1 1.935 9.396 -1.890 1.00 0.00 H new ATOM 0 HD13 ILE U 1 3.583 9.070 -1.303 1.00 0.00 H new ATOM 1165 N HIS U 2 4.683 8.569 1.859 1.00 0.00 N ATOM 1166 CA HIS U 2 5.592 7.426 1.783 1.00 0.00 C ATOM 1167 C HIS U 2 4.758 6.150 1.814 1.00 0.00 C ATOM 1168 O HIS U 2 4.014 5.918 2.768 1.00 0.00 O ATOM 1169 CB HIS U 2 6.578 7.436 2.977 1.00 0.00 C ATOM 1170 CG HIS U 2 7.794 8.270 2.653 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.068 7.719 2.533 1.00 0.00 N ATOM 1172 CD2 HIS U 2 7.950 9.617 2.428 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.917 8.723 2.248 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.288 9.900 2.173 1.00 0.00 N ATOM 0 H HIS U 2 4.198 8.675 2.750 1.00 0.00 H new ATOM 0 HA HIS U 2 6.173 7.479 0.862 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.082 7.834 3.862 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.882 6.416 3.214 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.153 10.346 2.446 1.00 0.00 H new ATOM 0 HE1 HIS U 2 10.979 8.594 2.098 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.701 10.811 1.972 1.00 0.00 H new ATOM 1182 N VAL U 3 4.921 5.305 0.798 1.00 0.00 N ATOM 1183 CA VAL U 3 4.216 4.023 0.751 1.00 0.00 C ATOM 1184 C VAL U 3 5.217 2.891 0.817 1.00 0.00 C ATOM 1185 O VAL U 3 6.137 2.829 0.000 1.00 0.00 O ATOM 1186 CB VAL U 3 3.386 3.916 -0.535 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.707 2.535 -0.591 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.311 5.039 -0.561 1.00 0.00 C ATOM 0 H VAL U 3 5.531 5.482 -0.000 1.00 0.00 H new ATOM 0 HA VAL U 3 3.541 3.958 1.605 1.00 0.00 H new ATOM 0 HB VAL U 3 4.038 4.032 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.117 2.457 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.468 1.755 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.055 2.415 0.274 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.724 4.959 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.654 4.934 0.302 1.00 0.00 H new ATOM 0 HG23 VAL U 3 2.801 6.012 -0.528 1.00 0.00 H new ATOM 1198 N HIS U 4 5.033 1.983 1.767 1.00 0.00 N ATOM 1199 CA HIS U 4 5.936 0.838 1.895 1.00 0.00 C ATOM 1200 C HIS U 4 5.138 -0.445 1.676 1.00 0.00 C ATOM 1201 O HIS U 4 4.101 -0.650 2.309 1.00 0.00 O ATOM 1202 CB HIS U 4 6.604 0.856 3.300 1.00 0.00 C ATOM 1203 CG HIS U 4 7.373 2.165 3.539 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.384 2.827 4.778 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.151 2.952 2.707 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.133 3.937 4.643 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.622 4.065 3.407 1.00 0.00 N ATOM 0 H HIS U 4 4.279 2.012 2.453 1.00 0.00 H new ATOM 0 HA HIS U 4 6.727 0.890 1.147 1.00 0.00 H new ATOM 0 HB2 HIS U 4 5.841 0.735 4.069 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.285 0.010 3.391 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.362 2.737 1.670 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.317 4.641 5.441 1.00 0.00 H new ATOM 1214 N LEU U 5 5.626 -1.309 0.781 1.00 0.00 N ATOM 1215 CA LEU U 5 4.949 -2.579 0.478 1.00 0.00 C ATOM 1216 C LEU U 5 5.920 -3.739 0.567 1.00 0.00 C ATOM 1217 O LEU U 5 6.832 -3.860 -0.251 1.00 0.00 O ATOM 1218 CB LEU U 5 4.344 -2.498 -0.931 1.00 0.00 C ATOM 1219 CG LEU U 5 3.805 -3.867 -1.380 1.00 0.00 C ATOM 1220 CD1 LEU U 5 2.748 -4.366 -0.388 1.00 0.00 C ATOM 1221 CD2 LEU U 5 3.186 -3.726 -2.787 1.00 0.00 C ATOM 0 H LEU U 5 6.485 -1.155 0.253 1.00 0.00 H new ATOM 0 HA LEU U 5 4.158 -2.748 1.209 1.00 0.00 H new ATOM 0 HB2 LEU U 5 3.538 -1.764 -0.943 1.00 0.00 H new ATOM 0 HB3 LEU U 5 5.100 -2.152 -1.636 1.00 0.00 H new ATOM 0 HG LEU U 5 4.620 -4.590 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.372 -5.336 -0.714 1.00 0.00 H new ATOM 0 HD12 LEU U 5 3.195 -4.464 0.601 1.00 0.00 H new ATOM 0 HD13 LEU U 5 1.924 -3.653 -0.345 1.00 0.00 H new ATOM 0 HD21 LEU U 5 2.801 -4.692 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.371 -3.003 -2.755 1.00 0.00 H new ATOM 0 HD23 LEU U 5 3.948 -3.384 -3.487 1.00 0.00 H new ATOM 1233 N GLN U 6 5.692 -4.614 1.544 1.00 0.00 N ATOM 1234 CA GLN U 6 6.530 -5.793 1.719 1.00 0.00 C ATOM 1235 C GLN U 6 5.666 -7.038 1.611 1.00 0.00 C ATOM 1236 O GLN U 6 4.825 -7.299 2.468 1.00 0.00 O ATOM 1237 CB GLN U 6 7.225 -5.741 3.079 1.00 0.00 C ATOM 1238 CG GLN U 6 8.205 -6.903 3.178 1.00 0.00 C ATOM 1239 CD GLN U 6 8.866 -6.931 4.547 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.194 -6.819 5.576 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.160 -7.069 4.616 1.00 0.00 N ATOM 0 H GLN U 6 4.936 -4.528 2.223 1.00 0.00 H new ATOM 0 HA GLN U 6 7.295 -5.819 0.943 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.751 -4.794 3.197 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.489 -5.800 3.881 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.682 -7.843 3.002 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.966 -6.811 2.403 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.709 -7.161 3.762 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.623 -7.085 5.524 1.00 0.00 H new ATOM 1250 N ILE U 7 5.867 -7.794 0.535 1.00 0.00 N ATOM 1251 CA ILE U 7 5.088 -9.007 0.291 1.00 0.00 C ATOM 1252 C ILE U 7 6.008 -10.223 0.287 1.00 0.00 C ATOM 1253 O ILE U 7 6.938 -10.234 -0.503 1.00 0.00 O ATOM 1254 CB ILE U 7 4.387 -8.894 -1.070 1.00 0.00 C ATOM 1255 CG1 ILE U 7 3.634 -7.552 -1.169 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.386 -10.050 -1.217 1.00 0.00 C ATOM 1257 CD1 ILE U 7 3.377 -7.209 -2.642 1.00 0.00 C ATOM 1258 OXT ILE U 7 5.775 -11.121 1.079 1.00 0.00 O ATOM 0 H ILE U 7 6.562 -7.589 -0.182 1.00 0.00 H new ATOM 0 HA ILE U 7 4.345 -9.123 1.080 1.00 0.00 H new ATOM 0 HB ILE U 7 5.133 -8.942 -1.863 1.00 0.00 H new ATOM 0 HG12 ILE U 7 2.689 -7.614 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.218 -6.761 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.884 -9.976 -2.182 1.00 0.00 H new ATOM 0 HG22 ILE U 7 3.916 -11.000 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE U 7 2.647 -9.995 -0.418 1.00 0.00 H new ATOM 0 HD11 ILE U 7 2.845 -6.260 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE U 7 4.328 -7.128 -3.168 1.00 0.00 H new ATOM 0 HD13 ILE U 7 2.775 -7.995 -3.099 1.00 0.00 H new TER 1270 ILE U 7 ATOM 1271 N ILE W 1 7.376 11.900 -3.347 1.00 0.00 N ATOM 1272 CA ILE W 1 6.657 10.661 -2.938 1.00 0.00 C ATOM 1273 C ILE W 1 7.597 9.464 -3.045 1.00 0.00 C ATOM 1274 O ILE W 1 8.291 9.304 -4.050 1.00 0.00 O ATOM 1275 CB ILE W 1 5.446 10.444 -3.855 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.427 11.569 -3.617 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.816 9.070 -3.568 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.358 11.526 -4.707 1.00 0.00 C ATOM 0 H1 ILE W 1 6.951 12.721 -2.871 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.378 11.824 -3.079 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.301 12.021 -4.377 1.00 0.00 H new ATOM 0 HA ILE W 1 6.318 10.764 -1.907 1.00 0.00 H new ATOM 0 HB ILE W 1 5.761 10.466 -4.898 1.00 0.00 H new ATOM 0 HG12 ILE W 1 3.966 11.455 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE W 1 4.929 12.536 -3.623 1.00 0.00 H new ATOM 0 HG21 ILE W 1 3.956 8.920 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.552 8.287 -3.751 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.493 9.028 -2.528 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.635 12.324 -4.539 1.00 0.00 H new ATOM 0 HD12 ILE W 1 3.827 11.661 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE W 1 2.849 10.563 -4.679 1.00 0.00 H new ATOM 1292 N HIS W 2 7.611 8.612 -2.011 1.00 0.00 N ATOM 1293 CA HIS W 2 8.461 7.437 -2.025 1.00 0.00 C ATOM 1294 C HIS W 2 7.612 6.169 -2.073 1.00 0.00 C ATOM 1295 O HIS W 2 6.798 5.930 -1.181 1.00 0.00 O ATOM 1296 CB HIS W 2 9.287 7.432 -0.721 1.00 0.00 C ATOM 1297 CG HIS W 2 10.017 6.125 -0.573 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.302 5.525 0.667 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.552 5.303 -1.515 1.00 0.00 C ATOM 1300 CE1 HIS W 2 10.985 4.399 0.415 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.168 4.212 -0.895 1.00 0.00 N ATOM 0 H HIS W 2 7.047 8.721 -1.168 1.00 0.00 H new ATOM 0 HA HIS W 2 9.108 7.462 -2.902 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.000 8.256 -0.731 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.630 7.589 0.135 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.508 5.468 -2.581 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.344 3.725 1.179 1.00 0.00 H new ATOM 1308 N VAL W 3 7.849 5.330 -3.084 1.00 0.00 N ATOM 1309 CA VAL W 3 7.144 4.051 -3.198 1.00 0.00 C ATOM 1310 C VAL W 3 8.137 2.899 -3.139 1.00 0.00 C ATOM 1311 O VAL W 3 9.033 2.825 -3.981 1.00 0.00 O ATOM 1312 CB VAL W 3 6.376 4.001 -4.518 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.752 2.615 -4.690 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.267 5.057 -4.505 1.00 0.00 C ATOM 0 H VAL W 3 8.519 5.511 -3.831 1.00 0.00 H new ATOM 0 HA VAL W 3 6.443 3.958 -2.368 1.00 0.00 H new ATOM 0 HB VAL W 3 7.060 4.201 -5.343 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.204 2.577 -5.631 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.538 1.860 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL W 3 5.069 2.419 -3.864 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.719 5.021 -5.447 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.584 4.857 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL W 3 5.708 6.046 -4.379 1.00 0.00 H new ATOM 1324 N HIS W 4 7.965 1.973 -2.182 1.00 0.00 N ATOM 1325 CA HIS W 4 8.838 0.825 -2.090 1.00 0.00 C ATOM 1326 C HIS W 4 8.057 -0.474 -2.280 1.00 0.00 C ATOM 1327 O HIS W 4 7.029 -0.686 -1.636 1.00 0.00 O ATOM 1328 CB HIS W 4 9.564 0.877 -0.734 1.00 0.00 C ATOM 1329 CG HIS W 4 10.824 0.061 -0.796 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.122 0.603 -0.700 1.00 0.00 N ATOM 1331 CD2 HIS W 4 10.985 -1.272 -0.942 1.00 0.00 C ATOM 1332 CE1 HIS W 4 12.983 -0.423 -0.792 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.344 -1.590 -0.937 1.00 0.00 N ATOM 0 H HIS W 4 7.232 2.009 -1.474 1.00 0.00 H new ATOM 0 HA HIS W 4 9.580 0.851 -2.888 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.802 1.910 -0.478 1.00 0.00 H new ATOM 0 HB3 HIS W 4 8.912 0.496 0.052 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.181 -1.986 -1.047 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.057 -0.320 -0.754 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.762 -2.516 -1.025 1.00 0.00 H new ATOM 1341 N LEU W 5 8.549 -1.340 -3.179 1.00 0.00 N ATOM 1342 CA LEU W 5 7.874 -2.612 -3.480 1.00 0.00 C ATOM 1343 C LEU W 5 8.856 -3.771 -3.351 1.00 0.00 C ATOM 1344 O LEU W 5 9.849 -3.826 -4.081 1.00 0.00 O ATOM 1345 CB LEU W 5 7.364 -2.557 -4.926 1.00 0.00 C ATOM 1346 CG LEU W 5 6.814 -1.155 -5.236 1.00 0.00 C ATOM 1347 CD1 LEU W 5 6.610 -1.005 -6.739 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.479 -0.933 -4.514 1.00 0.00 C ATOM 0 H LEU W 5 9.407 -1.184 -3.708 1.00 0.00 H new ATOM 0 HA LEU W 5 7.050 -2.762 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU W 5 8.173 -2.800 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU W 5 6.584 -3.304 -5.074 1.00 0.00 H new ATOM 0 HG LEU W 5 7.532 -0.412 -4.888 1.00 0.00 H new ATOM 0 HD11 LEU W 5 6.220 -0.010 -6.956 1.00 0.00 H new ATOM 0 HD12 LEU W 5 7.563 -1.141 -7.251 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.901 -1.756 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU W 5 5.103 0.064 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU W 5 4.757 -1.679 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.627 -1.026 -3.438 1.00 0.00 H new ATOM 1360 N GLN W 6 8.564 -4.709 -2.454 1.00 0.00 N ATOM 1361 CA GLN W 6 9.424 -5.879 -2.277 1.00 0.00 C ATOM 1362 C GLN W 6 8.587 -7.140 -2.412 1.00 0.00 C ATOM 1363 O GLN W 6 7.801 -7.474 -1.525 1.00 0.00 O ATOM 1364 CB GLN W 6 10.103 -5.819 -0.905 1.00 0.00 C ATOM 1365 CG GLN W 6 11.078 -6.989 -0.767 1.00 0.00 C ATOM 1366 CD GLN W 6 11.721 -6.994 0.618 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.044 -7.152 1.637 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.010 -6.821 0.713 1.00 0.00 N ATOM 0 H GLN W 6 7.747 -4.685 -1.843 1.00 0.00 H new ATOM 0 HA GLN W 6 10.200 -5.889 -3.042 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.634 -4.874 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.354 -5.861 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.552 -7.929 -0.933 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.851 -6.917 -1.532 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.570 -6.690 -0.129 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.458 -6.816 1.629 1.00 0.00 H new ATOM 1377 N ILE W 7 8.754 -7.836 -3.539 1.00 0.00 N ATOM 1378 CA ILE W 7 8.000 -9.063 -3.802 1.00 0.00 C ATOM 1379 C ILE W 7 8.947 -10.251 -3.919 1.00 0.00 C ATOM 1380 O ILE W 7 8.582 -11.321 -3.464 1.00 0.00 O ATOM 1381 CB ILE W 7 7.206 -8.915 -5.106 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.250 -7.727 -4.985 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.394 -10.193 -5.361 1.00 0.00 C ATOM 1384 CD1 ILE W 7 5.633 -7.428 -6.353 1.00 0.00 C ATOM 1385 OXT ILE W 7 10.029 -10.070 -4.453 1.00 0.00 O ATOM 0 H ILE W 7 9.402 -7.572 -4.281 1.00 0.00 H new ATOM 0 HA ILE W 7 7.313 -9.235 -2.973 1.00 0.00 H new ATOM 0 HB ILE W 7 7.896 -8.750 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE W 7 5.466 -7.950 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE W 7 6.785 -6.852 -4.616 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.830 -10.087 -6.288 1.00 0.00 H new ATOM 0 HG22 ILE W 7 7.071 -11.044 -5.443 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.704 -10.357 -4.533 1.00 0.00 H new ATOM 0 HD11 ILE W 7 4.952 -6.582 -6.268 1.00 0.00 H new ATOM 0 HD12 ILE W 7 6.423 -7.187 -7.064 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.084 -8.302 -6.703 1.00 0.00 H new TER 1397 ILE W 7 ATOM 1398 N ILE Y 1 9.557 11.685 -7.929 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.250 10.591 -6.963 1.00 0.00 C ATOM 1400 C ILE Y 1 10.326 9.515 -7.066 1.00 0.00 C ATOM 1401 O ILE Y 1 10.985 9.383 -8.098 1.00 0.00 O ATOM 1402 CB ILE Y 1 7.837 9.988 -7.271 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.927 8.640 -8.013 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.015 10.947 -8.135 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 8.604 8.820 -9.379 1.00 0.00 C ATOM 0 H1 ILE Y 1 8.896 12.474 -7.781 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.531 12.017 -7.780 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.458 11.328 -8.901 1.00 0.00 H new ATOM 0 HA ILE Y 1 9.239 10.988 -5.948 1.00 0.00 H new ATOM 0 HB ILE Y 1 7.356 9.832 -6.305 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 8.490 7.925 -7.413 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 6.928 8.225 -8.148 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.038 10.508 -8.337 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 6.887 11.892 -7.608 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 7.534 11.124 -9.077 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 8.658 7.858 -9.888 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 8.024 9.518 -9.983 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 9.611 9.213 -9.237 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.452 8.700 -6.013 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.392 7.580 -6.041 1.00 0.00 C ATOM 1421 C HIS Y 2 10.583 6.288 -6.072 1.00 0.00 C ATOM 1422 O HIS Y 2 9.775 6.040 -5.177 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.279 7.595 -4.774 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.512 8.427 -5.002 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.788 7.876 -4.991 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.682 9.768 -5.241 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.660 8.877 -5.217 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.038 10.051 -5.375 1.00 0.00 N ATOM 0 H HIS Y 2 9.924 8.794 -5.146 1.00 0.00 H new ATOM 0 HA HIS Y 2 12.035 7.657 -6.918 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.714 7.995 -3.932 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.564 6.576 -4.511 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.885 10.493 -5.314 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.731 8.748 -5.265 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.466 10.959 -5.555 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.826 5.451 -7.080 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.138 4.163 -7.183 1.00 0.00 C ATOM 1438 C VAL Y 3 11.144 3.034 -7.051 1.00 0.00 C ATOM 1439 O VAL Y 3 12.117 2.986 -7.804 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.411 4.066 -8.533 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.790 2.666 -8.682 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.305 5.158 -8.619 1.00 0.00 C ATOM 0 H VAL Y 3 11.489 5.639 -7.832 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.405 4.082 -6.381 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.124 4.228 -9.341 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.274 2.597 -9.640 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.576 1.913 -8.638 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.079 2.495 -7.874 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.794 5.083 -9.579 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.586 5.012 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.760 6.144 -8.526 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.907 2.112 -6.122 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.815 0.971 -5.947 1.00 0.00 C ATOM 1454 C HIS Y 4 11.050 -0.320 -6.223 1.00 0.00 C ATOM 1455 O HIS Y 4 9.975 -0.545 -5.664 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.407 0.959 -4.510 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.112 2.276 -4.176 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.016 2.889 -2.915 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 13.933 3.103 -4.918 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.750 4.018 -2.955 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.330 4.196 -4.147 1.00 0.00 N ATOM 0 H HIS Y 4 10.109 2.126 -5.486 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.645 1.057 -6.649 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.609 0.781 -3.789 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.113 0.134 -4.414 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.224 2.929 -5.943 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 13.857 4.699 -2.123 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.614 -1.170 -7.082 1.00 0.00 N ATOM 1469 CA LEU Y 5 10.983 -2.446 -7.434 1.00 0.00 C ATOM 1470 C LEU Y 5 11.972 -3.588 -7.287 1.00 0.00 C ATOM 1471 O LEU Y 5 12.948 -3.672 -8.031 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.474 -2.369 -8.883 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.977 -3.741 -9.362 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 8.871 -4.248 -8.432 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 9.433 -3.613 -10.799 1.00 0.00 C ATOM 0 H LEU Y 5 12.506 -1.000 -7.547 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.147 -2.633 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 9.666 -1.641 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 11.274 -2.019 -9.536 1.00 0.00 H new ATOM 0 HG LEU Y 5 10.804 -4.451 -9.348 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.523 -5.221 -8.777 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 9.262 -4.341 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 8.040 -3.543 -8.437 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 9.079 -4.585 -11.142 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.608 -2.901 -10.814 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 10.227 -3.262 -11.459 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.693 -4.490 -6.346 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.550 -5.654 -6.131 1.00 0.00 C ATOM 1489 C GLN Y 6 11.719 -6.918 -6.297 1.00 0.00 C ATOM 1490 O GLN Y 6 10.883 -7.239 -5.454 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.161 -5.598 -4.728 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.176 -6.731 -4.571 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.738 -6.749 -3.151 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 13.994 -6.637 -2.177 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.021 -6.883 -2.977 1.00 0.00 N ATOM 0 H GLN Y 6 10.886 -4.437 -5.725 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.360 -5.657 -6.860 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.647 -4.635 -4.569 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.379 -5.689 -3.975 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.701 -7.687 -4.793 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 14.987 -6.604 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.638 -6.976 -3.784 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.409 -6.895 -2.034 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.944 -7.623 -7.405 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.198 -8.847 -7.700 1.00 0.00 C ATOM 1506 C ILE Y 7 12.130 -10.051 -7.589 1.00 0.00 C ATOM 1507 O ILE Y 7 13.108 -10.083 -8.319 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.635 -8.771 -9.129 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 9.831 -7.475 -9.305 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.701 -9.964 -9.367 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.602 -7.198 -10.802 1.00 0.00 C ATOM 1512 OXT ILE Y 7 11.859 -10.915 -6.773 1.00 0.00 O ATOM 0 H ILE Y 7 12.634 -7.369 -8.112 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.379 -8.952 -6.989 1.00 0.00 H new ATOM 0 HB ILE Y 7 11.461 -8.789 -9.840 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 8.873 -7.559 -8.791 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 10.365 -6.641 -8.850 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 9.299 -9.915 -10.379 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 10.258 -10.893 -9.242 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 8.881 -9.933 -8.649 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 9.031 -6.277 -10.918 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 10.564 -7.094 -11.304 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.049 -8.026 -11.245 1.00 0.00 H new TER 1524 ILE Y 7 HETATM 1525 ZN ZN A 101 -14.447 -2.115 3.202 1.00 0.00 ZN HETATM 1526 ZN ZN C 101 -11.260 -5.756 -0.837 1.00 0.00 ZN HETATM 1527 ZN ZN E 101 -8.512 -2.260 -4.660 1.00 0.00 ZN HETATM 1528 ZN ZN G 101 -5.311 -5.807 -8.698 1.00 0.00 ZN HETATM 1529 ZN ZN I 101 -2.528 -2.273 -12.408 1.00 0.00 ZN HETATM 1530 ZN ZN K 101 0.340 -5.713 -16.209 1.00 0.00 ZN HETATM 1531 ZN ZN O 101 0.902 1.833 14.502 1.00 0.00 ZN HETATM 1532 ZN ZN Q 101 3.760 5.663 10.466 1.00 0.00 ZN HETATM 1533 ZN ZN S 101 6.658 2.255 6.732 1.00 0.00 ZN HETATM 1534 ZN ZN U 101 9.591 5.887 2.605 1.00 0.00 ZN HETATM 1535 ZN ZN W 101 12.340 2.579 -0.806 1.00 0.00 ZN HETATM 1536 ZN ZN Y 101 15.214 5.835 -4.774 1.00 0.00 ZN