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= 0.607 K(o=1.2,f=-0.12) USER MOD Set 1.2: Q 6 GLN : amide:sc= 0.69 K(o=1.2,f=-4.1!) USER MOD Set 1.3: S 6 GLN : amide:sc= 0.293 K(o=1.2,f=-8!) USER MOD Set 1.4: U 6 GLN : amide:sc= 0.112 K(o=1.2,f=-8.3!) USER MOD Set 1.5: W 6 GLN : amide:sc= -0.0187 K(o=1.2,f=-8.2!) USER MOD Set 1.6: Y 6 GLN : amide:sc= -0.47 K(o=1.2,f=-8.3!) USER MOD Set 2.1: A 6 GLN : amide:sc= 0.608 K(o=0.86,f=-0.46) USER MOD Set 2.2: C 6 GLN : amide:sc= 0.489 K(o=0.86,f=-4.7!) USER MOD Set 2.3: E 6 GLN : amide:sc= 0.158 K(o=0.86,f=-8.6!) USER MOD Set 2.4: G 6 GLN : amide:sc= -0.0225 K(o=0.86,f=-8.3!) USER MOD Set 2.5: I 6 GLN : amide:sc= -0.0737 K(o=0.86,f=-9.1!) USER MOD Set 2.6: K 6 GLN : amide:sc= -0.3 K(o=0.86,f=-8.9!) USER MOD Single : A 1 ILE N :NH3+ -152:sc= -0.19 (180deg=-0.939) USER MOD Single : C 1 ILE N :NH3+ -133:sc= -0.327 (180deg=-1.48) USER MOD Single : E 1 ILE N :NH3+ -152:sc= -0.135 (180deg=-0.914) USER MOD Single : G 1 ILE N :NH3+ -137:sc= -0.21 (180deg=-1.1) USER MOD Single : I 1 ILE N :NH3+ -132:sc= -0.122 (180deg=-0.911) USER MOD Single : K 1 ILE N :NH3+ -152:sc= -0.246 (180deg=-1.07) USER MOD Single : O 1 ILE N :NH3+ -152:sc= -0.126 (180deg=-0.928) USER MOD Single : Q 1 ILE N :NH3+ -134:sc= -0.334 (180deg=-1.54) USER MOD Single : S 1 ILE N :NH3+ -151:sc= -0.138 (180deg=-0.902) USER MOD Single : U 1 ILE N :NH3+ -138:sc= -0.212 (180deg=-1.17) USER MOD Single : W 1 ILE N :NH3+ -153:sc= -0.132 (180deg=-0.862) USER MOD Single : Y 1 ILE N :NH3+ -156:sc= -0.157 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.282 -11.636 6.890 1.00 0.00 N ATOM 2 CA ILE A 1 -11.424 -10.419 7.739 1.00 0.00 C ATOM 3 C ILE A 1 -11.368 -9.180 6.856 1.00 0.00 C ATOM 4 O ILE A 1 -10.422 -8.998 6.086 1.00 0.00 O ATOM 5 CB ILE A 1 -10.285 -10.377 8.769 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.407 -11.587 9.700 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.368 -9.093 9.595 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.165 -11.688 10.591 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.769 -12.435 7.344 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.704 -11.459 5.956 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.274 -11.864 6.776 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.379 -10.446 8.263 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.328 -10.401 8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.301 -11.493 10.317 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.519 -12.499 9.113 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.556 -9.075 10.322 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.284 -8.230 8.935 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.324 -9.058 10.118 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.259 -12.551 11.250 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.278 -11.803 9.968 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -9.072 -10.782 11.190 1.00 0.00 H new ATOM 22 N HIS A 2 -12.377 -8.315 6.975 1.00 0.00 N ATOM 23 CA HIS A 2 -12.411 -7.106 6.201 1.00 0.00 C ATOM 24 C HIS A 2 -12.264 -5.916 7.142 1.00 0.00 C ATOM 25 O HIS A 2 -13.085 -5.725 8.038 1.00 0.00 O ATOM 26 CB HIS A 2 -13.794 -7.080 5.519 1.00 0.00 C ATOM 27 CG HIS A 2 -14.137 -5.715 5.004 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.448 -5.217 5.004 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.371 -4.757 4.419 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.418 -4.009 4.429 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.185 -3.672 4.049 1.00 0.00 N ATOM 0 H HIS A 2 -13.172 -8.442 7.602 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.609 -7.060 5.464 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.806 -7.793 4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.555 -7.402 6.229 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.273 -5.689 5.374 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.304 -4.819 4.263 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.287 -3.383 4.290 1.00 0.00 H new ATOM 38 N VAL A 3 -11.239 -5.094 6.910 1.00 0.00 N ATOM 39 CA VAL A 3 -11.028 -3.895 7.724 1.00 0.00 C ATOM 40 C VAL A 3 -11.105 -2.659 6.842 1.00 0.00 C ATOM 41 O VAL A 3 -10.340 -2.551 5.883 1.00 0.00 O ATOM 42 CB VAL A 3 -9.667 -3.954 8.411 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.507 -2.713 9.282 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.574 -5.215 9.281 1.00 0.00 C ATOM 0 H VAL A 3 -10.548 -5.234 6.173 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.804 -3.846 8.487 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.876 -3.988 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.538 -2.741 9.780 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.569 -1.821 8.659 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.299 -2.689 10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.600 -5.250 9.768 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.358 -5.193 10.038 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.699 -6.099 8.655 1.00 0.00 H new ATOM 54 N HIS A 4 -12.000 -1.720 7.158 1.00 0.00 N ATOM 55 CA HIS A 4 -12.120 -0.508 6.377 1.00 0.00 C ATOM 56 C HIS A 4 -11.808 0.737 7.204 1.00 0.00 C ATOM 57 O HIS A 4 -12.341 0.917 8.300 1.00 0.00 O ATOM 58 CB HIS A 4 -13.536 -0.450 5.779 1.00 0.00 C ATOM 59 CG HIS A 4 -13.536 0.423 4.555 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.866 -0.034 3.268 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.246 1.739 4.423 1.00 0.00 C ATOM 62 CE1 HIS A 4 -13.761 1.016 2.437 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.390 2.124 3.088 1.00 0.00 N ATOM 0 H HIS A 4 -12.644 -1.784 7.946 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.385 -0.526 5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.873 -1.454 5.521 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.236 -0.058 6.516 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.948 2.393 5.229 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.952 0.971 1.375 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.243 3.053 2.693 1.00 0.00 H new ATOM 71 N LEU A 5 -10.953 1.605 6.655 1.00 0.00 N ATOM 72 CA LEU A 5 -10.575 2.855 7.325 1.00 0.00 C ATOM 73 C LEU A 5 -10.943 4.029 6.431 1.00 0.00 C ATOM 74 O LEU A 5 -10.316 4.237 5.391 1.00 0.00 O ATOM 75 CB LEU A 5 -9.067 2.875 7.550 1.00 0.00 C ATOM 76 CG LEU A 5 -8.631 1.615 8.297 1.00 0.00 C ATOM 77 CD1 LEU A 5 -7.106 1.644 8.492 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.352 1.530 9.653 1.00 0.00 C ATOM 0 H LEU A 5 -10.509 1.466 5.748 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.096 2.926 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.549 2.937 6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.788 3.761 8.121 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.897 0.733 7.715 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.790 0.747 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.615 1.680 7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.830 2.526 9.071 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.035 0.629 10.178 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.104 2.406 10.253 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.429 1.495 9.491 1.00 0.00 H new ATOM 90 N GLN A 6 -11.935 4.808 6.844 1.00 0.00 N ATOM 91 CA GLN A 6 -12.353 5.978 6.072 1.00 0.00 C ATOM 92 C GLN A 6 -12.125 7.213 6.924 1.00 0.00 C ATOM 93 O GLN A 6 -12.716 7.358 7.994 1.00 0.00 O ATOM 94 CB GLN A 6 -13.828 5.852 5.683 1.00 0.00 C ATOM 95 CG GLN A 6 -14.231 7.028 4.787 1.00 0.00 C ATOM 96 CD GLN A 6 -15.720 6.957 4.473 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.543 6.835 5.381 1.00 0.00 O ATOM 98 NE2 GLN A 6 -16.117 7.008 3.230 1.00 0.00 N ATOM 0 H GLN A 6 -12.464 4.655 7.703 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.772 6.053 5.153 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.997 4.910 5.160 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.450 5.835 6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.000 7.970 5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.654 7.006 3.862 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.433 7.109 2.480 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.111 6.947 3.009 1.00 0.00 H new ATOM 107 N ILE A 7 -11.238 8.091 6.461 1.00 0.00 N ATOM 108 CA ILE A 7 -10.909 9.298 7.214 1.00 0.00 C ATOM 109 C ILE A 7 -10.559 10.437 6.255 1.00 0.00 C ATOM 110 O ILE A 7 -10.001 11.420 6.714 1.00 0.00 O ATOM 111 CB ILE A 7 -9.714 9.015 8.172 1.00 0.00 C ATOM 112 CG1 ILE A 7 -9.614 7.508 8.477 1.00 0.00 C ATOM 113 CG2 ILE A 7 -9.905 9.776 9.487 1.00 0.00 C ATOM 114 CD1 ILE A 7 -8.402 7.237 9.377 1.00 0.00 C ATOM 115 OXT ILE A 7 -10.848 10.304 5.077 1.00 0.00 O ATOM 0 H ILE A 7 -10.739 7.991 5.577 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.775 9.594 7.807 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.798 9.347 7.683 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.526 7.166 8.967 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.521 6.945 7.548 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.065 9.572 10.151 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.956 10.846 9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.830 9.453 9.963 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.337 6.170 9.589 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.493 7.562 8.871 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.513 7.786 10.312 1.00 0.00 H new TER 127 ILE A 7 ATOM 128 N ILE C 1 -7.845 -11.784 3.422 1.00 0.00 N ATOM 129 CA ILE C 1 -8.093 -10.544 4.214 1.00 0.00 C ATOM 130 C ILE C 1 -8.175 -9.354 3.264 1.00 0.00 C ATOM 131 O ILE C 1 -7.280 -9.141 2.443 1.00 0.00 O ATOM 132 CB ILE C 1 -6.936 -10.332 5.206 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.848 -11.538 6.144 1.00 0.00 C ATOM 134 CG2 ILE C 1 -7.187 -9.070 6.036 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.564 -11.453 6.976 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.495 -12.533 3.737 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.004 -11.589 2.413 1.00 0.00 H new ATOM 0 H3 ILE C 1 -6.863 -12.096 3.564 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.029 -10.638 4.765 1.00 0.00 H new ATOM 0 HB ILE C 1 -6.004 -10.222 4.652 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.717 -11.564 6.801 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -6.858 -12.462 5.566 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.364 -8.926 6.736 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -7.256 -8.207 5.374 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -8.120 -9.178 6.589 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.505 -12.313 7.643 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.700 -11.448 6.312 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.573 -10.537 7.566 1.00 0.00 H new ATOM 149 N HIS C 2 -9.234 -8.553 3.383 1.00 0.00 N ATOM 150 CA HIS C 2 -9.355 -7.368 2.530 1.00 0.00 C ATOM 151 C HIS C 2 -9.186 -6.130 3.400 1.00 0.00 C ATOM 152 O HIS C 2 -9.940 -5.922 4.351 1.00 0.00 O ATOM 153 CB HIS C 2 -10.746 -7.348 1.860 1.00 0.00 C ATOM 154 CG HIS C 2 -10.727 -8.116 0.557 1.00 0.00 C ATOM 155 ND1 HIS C 2 -11.023 -7.516 -0.659 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.471 -9.435 0.266 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.939 -8.463 -1.612 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.606 -9.650 -1.102 1.00 0.00 N ATOM 0 H HIS C 2 -10.000 -8.695 4.041 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.591 -7.387 1.753 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.485 -7.783 2.533 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.051 -6.318 1.676 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.205 -10.191 0.990 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.119 -8.284 -2.662 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.478 -10.527 -1.607 1.00 0.00 H new ATOM 166 N VAL C 3 -8.218 -5.289 3.046 1.00 0.00 N ATOM 167 CA VAL C 3 -7.985 -4.043 3.775 1.00 0.00 C ATOM 168 C VAL C 3 -8.247 -2.862 2.854 1.00 0.00 C ATOM 169 O VAL C 3 -7.662 -2.778 1.774 1.00 0.00 O ATOM 170 CB VAL C 3 -6.546 -4.017 4.300 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.307 -2.698 5.044 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.319 -5.221 5.256 1.00 0.00 C ATOM 0 H VAL C 3 -7.584 -5.445 2.262 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.664 -3.978 4.626 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.846 -4.092 3.468 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.284 -2.673 5.420 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.463 -1.862 4.362 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -7.003 -2.620 5.879 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.295 -5.201 5.629 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -7.012 -5.155 6.095 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.491 -6.152 4.716 1.00 0.00 H new ATOM 182 N HIS C 4 -9.119 -1.949 3.277 1.00 0.00 N ATOM 183 CA HIS C 4 -9.434 -0.769 2.462 1.00 0.00 C ATOM 184 C HIS C 4 -9.043 0.506 3.208 1.00 0.00 C ATOM 185 O HIS C 4 -9.433 0.695 4.361 1.00 0.00 O ATOM 186 CB HIS C 4 -10.953 -0.754 2.137 1.00 0.00 C ATOM 187 CG HIS C 4 -11.398 -2.031 1.418 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.624 -2.654 1.692 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.813 -2.807 0.433 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.722 -3.735 0.897 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.650 -3.879 0.112 1.00 0.00 N ATOM 0 H HIS C 4 -9.616 -1.998 4.166 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.868 -0.814 1.532 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.520 -0.642 3.061 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.182 0.111 1.515 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.852 -2.613 -0.020 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.567 -4.407 0.894 1.00 0.00 H new ATOM 198 N LEU C 5 -8.297 1.393 2.542 1.00 0.00 N ATOM 199 CA LEU C 5 -7.881 2.669 3.148 1.00 0.00 C ATOM 200 C LEU C 5 -8.287 3.830 2.256 1.00 0.00 C ATOM 201 O LEU C 5 -7.882 3.904 1.095 1.00 0.00 O ATOM 202 CB LEU C 5 -6.356 2.686 3.373 1.00 0.00 C ATOM 203 CG LEU C 5 -5.878 4.090 3.812 1.00 0.00 C ATOM 204 CD1 LEU C 5 -6.564 4.493 5.123 1.00 0.00 C ATOM 205 CD2 LEU C 5 -4.344 4.087 4.004 1.00 0.00 C ATOM 0 H LEU C 5 -7.968 1.255 1.586 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.378 2.772 4.112 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -6.088 1.952 4.133 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.846 2.394 2.455 1.00 0.00 H new ATOM 0 HG LEU C 5 -6.141 4.811 3.038 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -6.221 5.483 5.424 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -7.644 4.512 4.978 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -6.315 3.771 5.901 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -4.014 5.079 4.313 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -4.075 3.360 4.770 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -3.860 3.820 3.064 1.00 0.00 H new ATOM 217 N GLN C 6 -9.063 4.755 2.816 1.00 0.00 N ATOM 218 CA GLN C 6 -9.496 5.936 2.075 1.00 0.00 C ATOM 219 C GLN C 6 -9.229 7.179 2.914 1.00 0.00 C ATOM 220 O GLN C 6 -9.747 7.321 4.022 1.00 0.00 O ATOM 221 CB GLN C 6 -10.984 5.821 1.724 1.00 0.00 C ATOM 222 CG GLN C 6 -11.410 7.021 0.873 1.00 0.00 C ATOM 223 CD GLN C 6 -12.905 6.956 0.588 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.721 6.972 1.510 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.313 6.871 -0.651 1.00 0.00 N ATOM 0 H GLN C 6 -9.403 4.710 3.776 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.936 6.012 1.143 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.168 4.894 1.181 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.580 5.780 2.636 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.171 7.949 1.393 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.853 7.028 -0.064 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.634 6.858 -1.412 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.311 6.818 -0.857 1.00 0.00 H new ATOM 234 N ILE C 7 -8.397 8.063 2.377 1.00 0.00 N ATOM 235 CA ILE C 7 -8.026 9.298 3.066 1.00 0.00 C ATOM 236 C ILE C 7 -7.664 10.369 2.033 1.00 0.00 C ATOM 237 O ILE C 7 -7.880 10.124 0.857 1.00 0.00 O ATOM 238 CB ILE C 7 -6.820 9.038 4.021 1.00 0.00 C ATOM 239 CG1 ILE C 7 -6.106 7.745 3.608 1.00 0.00 C ATOM 240 CG2 ILE C 7 -7.298 8.912 5.470 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.709 7.693 4.236 1.00 0.00 C ATOM 242 OXT ILE C 7 -7.178 11.412 2.435 1.00 0.00 O ATOM 0 H ILE C 7 -7.963 7.948 1.461 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.870 9.646 3.662 1.00 0.00 H new ATOM 0 HB ILE C 7 -6.132 9.880 3.949 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.689 6.881 3.926 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.027 7.694 2.522 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -6.443 8.731 6.121 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -7.794 9.835 5.771 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -7.998 8.081 5.551 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -4.210 6.771 3.937 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -4.125 8.549 3.896 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -4.797 7.722 5.322 1.00 0.00 H new TER 254 ILE C 7 ATOM 255 N ILE E 1 -5.271 -11.738 -0.544 1.00 0.00 N ATOM 256 CA ILE E 1 -5.353 -10.497 0.281 1.00 0.00 C ATOM 257 C ILE E 1 -5.392 -9.283 -0.639 1.00 0.00 C ATOM 258 O ILE E 1 -4.524 -9.115 -1.504 1.00 0.00 O ATOM 259 CB ILE E 1 -4.128 -10.423 1.208 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.190 -11.588 2.200 1.00 0.00 C ATOM 261 CG2 ILE E 1 -4.106 -9.100 1.982 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.878 -11.677 2.984 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.705 -12.529 -0.026 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.777 -11.593 -1.441 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.274 -11.959 -0.741 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.258 -10.512 0.888 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.223 -10.483 0.603 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -5.025 -11.448 2.887 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.369 -12.522 1.667 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.230 -9.072 2.630 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.064 -8.268 1.279 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -5.009 -9.018 2.588 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.930 -12.508 3.687 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -2.051 -11.838 2.292 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.717 -10.748 3.531 1.00 0.00 H new ATOM 276 N HIS E 2 -6.396 -8.421 -0.443 1.00 0.00 N ATOM 277 CA HIS E 2 -6.510 -7.227 -1.245 1.00 0.00 C ATOM 278 C HIS E 2 -6.285 -6.011 -0.360 1.00 0.00 C ATOM 279 O HIS E 2 -7.028 -5.792 0.596 1.00 0.00 O ATOM 280 CB HIS E 2 -7.949 -7.199 -1.800 1.00 0.00 C ATOM 281 CG HIS E 2 -8.292 -5.849 -2.366 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.567 -5.267 -2.251 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.551 -4.977 -3.097 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.537 -4.103 -2.908 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.342 -3.868 -3.445 1.00 0.00 N ATOM 0 H HIS E 2 -7.127 -8.537 0.259 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.778 -7.217 -2.052 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.057 -7.958 -2.575 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.652 -7.452 -1.006 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.515 -5.114 -3.369 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.381 -3.434 -2.993 1.00 0.00 H new ATOM 292 N VAL E 3 -5.294 -5.194 -0.709 1.00 0.00 N ATOM 293 CA VAL E 3 -5.025 -3.964 0.036 1.00 0.00 C ATOM 294 C VAL E 3 -5.186 -2.766 -0.888 1.00 0.00 C ATOM 295 O VAL E 3 -4.493 -2.688 -1.902 1.00 0.00 O ATOM 296 CB VAL E 3 -3.608 -3.996 0.596 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.366 -2.725 1.399 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.433 -5.223 1.503 1.00 0.00 C ATOM 0 H VAL E 3 -4.667 -5.358 -1.497 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.731 -3.882 0.862 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.891 -4.058 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.354 -2.738 1.804 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.486 -1.857 0.751 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -4.084 -2.669 2.217 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.418 -5.240 1.900 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -4.144 -5.171 2.327 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.612 -6.130 0.926 1.00 0.00 H new ATOM 308 N HIS E 4 -6.065 -1.820 -0.546 1.00 0.00 N ATOM 309 CA HIS E 4 -6.245 -0.643 -1.366 1.00 0.00 C ATOM 310 C HIS E 4 -5.896 0.633 -0.609 1.00 0.00 C ATOM 311 O HIS E 4 -6.374 0.854 0.505 1.00 0.00 O ATOM 312 CB HIS E 4 -7.694 -0.622 -1.879 1.00 0.00 C ATOM 313 CG HIS E 4 -7.780 0.224 -3.119 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.147 -0.271 -4.384 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.554 1.547 -3.287 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.127 0.766 -5.235 1.00 0.00 C ATOM 317 NE2 HIS E 4 -7.775 1.900 -4.621 1.00 0.00 N ATOM 0 H HIS E 4 -6.653 -1.855 0.287 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.561 -0.686 -2.214 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.028 -1.637 -2.095 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.357 -0.225 -1.110 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.248 2.229 -2.507 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.366 0.694 -6.286 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -7.686 2.827 -5.038 1.00 0.00 H new ATOM 325 N LEU E 5 -5.076 1.482 -1.238 1.00 0.00 N ATOM 326 CA LEU E 5 -4.671 2.757 -0.638 1.00 0.00 C ATOM 327 C LEU E 5 -5.104 3.901 -1.540 1.00 0.00 C ATOM 328 O LEU E 5 -4.539 4.084 -2.620 1.00 0.00 O ATOM 329 CB LEU E 5 -3.151 2.804 -0.495 1.00 0.00 C ATOM 330 CG LEU E 5 -2.651 1.552 0.230 1.00 0.00 C ATOM 331 CD1 LEU E 5 -1.117 1.624 0.370 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.325 1.435 1.609 1.00 0.00 C ATOM 0 H LEU E 5 -4.680 1.309 -2.162 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.139 2.850 0.342 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.688 2.873 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.858 3.696 0.059 1.00 0.00 H new ATOM 0 HG LEU E 5 -2.910 0.665 -0.347 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -0.757 0.734 0.886 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -0.663 1.678 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -0.845 2.511 0.943 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -2.962 0.541 2.117 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -3.085 2.314 2.207 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -4.405 1.367 1.481 1.00 0.00 H new ATOM 344 N GLN E 6 -6.082 4.684 -1.093 1.00 0.00 N ATOM 345 CA GLN E 6 -6.554 5.828 -1.870 1.00 0.00 C ATOM 346 C GLN E 6 -6.298 7.091 -1.073 1.00 0.00 C ATOM 347 O GLN E 6 -6.820 7.259 0.029 1.00 0.00 O ATOM 348 CB GLN E 6 -8.046 5.671 -2.186 1.00 0.00 C ATOM 349 CG GLN E 6 -8.511 6.844 -3.055 1.00 0.00 C ATOM 350 CD GLN E 6 -10.010 6.748 -3.321 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.817 6.735 -2.387 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.429 6.684 -4.557 1.00 0.00 N ATOM 0 H GLN E 6 -6.561 4.549 -0.203 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.019 5.886 -2.818 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.221 4.729 -2.705 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.623 5.638 -1.262 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.283 7.786 -2.557 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.967 6.843 -3.999 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.757 6.695 -5.324 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.428 6.623 -4.754 1.00 0.00 H new ATOM 361 N ILE E 7 -5.462 7.968 -1.623 1.00 0.00 N ATOM 362 CA ILE E 7 -5.104 9.208 -0.941 1.00 0.00 C ATOM 363 C ILE E 7 -4.844 10.313 -1.966 1.00 0.00 C ATOM 364 O ILE E 7 -4.264 11.318 -1.590 1.00 0.00 O ATOM 365 CB ILE E 7 -3.837 8.981 -0.066 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.687 7.485 0.284 1.00 0.00 C ATOM 367 CG2 ILE E 7 -3.933 9.803 1.221 1.00 0.00 C ATOM 368 CD1 ILE E 7 -2.418 7.261 1.115 1.00 0.00 C ATOM 369 OXT ILE E 7 -5.222 10.130 -3.112 1.00 0.00 O ATOM 0 H ILE E 7 -5.022 7.844 -2.535 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.930 9.513 -0.298 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.963 9.302 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -4.560 7.145 0.841 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.641 6.893 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -3.042 9.637 1.826 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -4.011 10.861 0.972 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -4.815 9.497 1.783 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -2.323 6.202 1.356 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.547 7.583 0.544 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -2.480 7.839 2.037 1.00 0.00 H new TER 381 ILE E 7 ATOM 382 N ILE G 1 -1.916 -11.780 -4.170 1.00 0.00 N ATOM 383 CA ILE G 1 -2.139 -10.528 -3.391 1.00 0.00 C ATOM 384 C ILE G 1 -2.235 -9.350 -4.355 1.00 0.00 C ATOM 385 O ILE G 1 -1.344 -9.139 -5.185 1.00 0.00 O ATOM 386 CB ILE G 1 -0.962 -10.308 -2.428 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.852 -11.507 -1.482 1.00 0.00 C ATOM 388 CG2 ILE G 1 -1.194 -9.038 -1.605 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.441 -11.404 -0.671 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.515 -12.539 -3.786 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.161 -11.617 -5.167 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.916 -12.059 -4.100 1.00 0.00 H new ATOM 0 HA ILE G 1 -3.063 -10.610 -2.819 1.00 0.00 H new ATOM 0 HB ILE G 1 -0.042 -10.203 -3.003 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.712 -11.535 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.862 -12.436 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE G 1 -0.356 -8.888 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -1.277 -8.181 -2.274 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -2.115 -9.140 -1.030 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.518 -12.258 0.002 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.295 -11.397 -1.348 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.433 -10.483 -0.088 1.00 0.00 H new ATOM 403 N HIS G 2 -3.301 -8.557 -4.236 1.00 0.00 N ATOM 404 CA HIS G 2 -3.440 -7.384 -5.103 1.00 0.00 C ATOM 405 C HIS G 2 -3.260 -6.132 -4.257 1.00 0.00 C ATOM 406 O HIS G 2 -3.996 -5.912 -3.294 1.00 0.00 O ATOM 407 CB HIS G 2 -4.844 -7.373 -5.751 1.00 0.00 C ATOM 408 CG HIS G 2 -4.844 -8.151 -7.046 1.00 0.00 C ATOM 409 ND1 HIS G 2 -5.144 -7.556 -8.267 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.608 -9.475 -7.327 1.00 0.00 C ATOM 411 CE1 HIS G 2 -5.083 -8.514 -9.210 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.760 -9.701 -8.692 1.00 0.00 N ATOM 0 H HIS G 2 -4.060 -8.697 -3.569 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.688 -7.416 -5.892 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.570 -7.805 -5.062 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.154 -6.345 -5.939 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.344 -10.227 -6.598 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.273 -8.343 -10.259 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.648 -10.584 -9.190 1.00 0.00 H new ATOM 420 N VAL G 3 -2.302 -5.295 -4.647 1.00 0.00 N ATOM 421 CA VAL G 3 -2.055 -4.036 -3.951 1.00 0.00 C ATOM 422 C VAL G 3 -2.345 -2.875 -4.890 1.00 0.00 C ATOM 423 O VAL G 3 -1.785 -2.809 -5.989 1.00 0.00 O ATOM 424 CB VAL G 3 -0.600 -3.997 -3.466 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.348 -2.669 -2.744 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.337 -5.186 -2.505 1.00 0.00 C ATOM 0 H VAL G 3 -1.685 -5.466 -5.441 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.711 -3.954 -3.084 1.00 0.00 H new ATOM 0 HB VAL G 3 0.075 -4.079 -4.318 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.684 -2.634 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.528 -1.842 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -1.021 -2.585 -1.891 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.697 -5.155 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -1.006 -5.115 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.518 -6.124 -3.029 1.00 0.00 H new ATOM 436 N HIS G 4 -3.208 -1.955 -4.466 1.00 0.00 N ATOM 437 CA HIS G 4 -3.551 -0.796 -5.298 1.00 0.00 C ATOM 438 C HIS G 4 -3.141 0.499 -4.596 1.00 0.00 C ATOM 439 O HIS G 4 -3.492 0.714 -3.435 1.00 0.00 O ATOM 440 CB HIS G 4 -5.079 -0.792 -5.577 1.00 0.00 C ATOM 441 CG HIS G 4 -5.530 -2.078 -6.278 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.745 -2.715 -5.978 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.952 -2.854 -7.264 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.839 -3.804 -6.761 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.779 -3.938 -7.562 1.00 0.00 N ATOM 0 H HIS G 4 -3.680 -1.985 -3.562 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.013 -0.863 -6.244 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.620 -0.681 -4.637 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.334 0.068 -6.196 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -4.001 -2.652 -7.734 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.673 -4.489 -6.744 1.00 0.00 H new ATOM 452 N LEU G 5 -2.419 1.374 -5.307 1.00 0.00 N ATOM 453 CA LEU G 5 -1.989 2.663 -4.742 1.00 0.00 C ATOM 454 C LEU G 5 -2.417 3.809 -5.646 1.00 0.00 C ATOM 455 O LEU G 5 -2.035 3.866 -6.817 1.00 0.00 O ATOM 456 CB LEU G 5 -0.460 2.687 -4.546 1.00 0.00 C ATOM 457 CG LEU G 5 0.019 4.104 -4.151 1.00 0.00 C ATOM 458 CD1 LEU G 5 -0.666 4.547 -2.853 1.00 0.00 C ATOM 459 CD2 LEU G 5 1.554 4.112 -3.958 1.00 0.00 C ATOM 0 H LEU G 5 -2.121 1.216 -6.270 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.467 2.785 -3.770 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.176 1.973 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU G 5 0.034 2.374 -5.466 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.244 4.798 -4.950 1.00 0.00 H new ATOM 0 HD11 LEU G 5 -0.323 5.546 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -1.746 4.562 -2.998 1.00 0.00 H new ATOM 0 HD13 LEU G 5 -0.417 3.849 -2.054 1.00 0.00 H new ATOM 0 HD21 LEU G 5 1.881 5.114 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU G 5 1.825 3.410 -3.169 1.00 0.00 H new ATOM 0 HD23 LEU G 5 2.039 3.817 -4.888 1.00 0.00 H new ATOM 471 N GLN G 6 -3.184 4.742 -5.084 1.00 0.00 N ATOM 472 CA GLN G 6 -3.636 5.911 -5.834 1.00 0.00 C ATOM 473 C GLN G 6 -3.343 7.176 -5.035 1.00 0.00 C ATOM 474 O GLN G 6 -3.846 7.359 -3.927 1.00 0.00 O ATOM 475 CB GLN G 6 -5.133 5.782 -6.144 1.00 0.00 C ATOM 476 CG GLN G 6 -5.595 6.970 -6.987 1.00 0.00 C ATOM 477 CD GLN G 6 -7.098 6.886 -7.248 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.906 6.899 -6.314 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.519 6.789 -8.481 1.00 0.00 N ATOM 0 H GLN G 6 -3.504 4.711 -4.116 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.099 5.973 -6.780 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.324 4.851 -6.677 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.703 5.740 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.360 7.902 -6.473 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.055 6.984 -7.934 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.848 6.779 -9.250 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.518 6.724 -8.675 1.00 0.00 H new ATOM 488 N ILE G 7 -2.508 8.034 -5.612 1.00 0.00 N ATOM 489 CA ILE G 7 -2.112 9.286 -4.970 1.00 0.00 C ATOM 490 C ILE G 7 -1.787 10.329 -6.041 1.00 0.00 C ATOM 491 O ILE G 7 -2.033 10.051 -7.203 1.00 0.00 O ATOM 492 CB ILE G 7 -0.873 9.053 -4.052 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.162 7.762 -4.465 1.00 0.00 C ATOM 494 CG2 ILE G 7 -1.301 8.946 -2.593 1.00 0.00 C ATOM 495 CD1 ILE G 7 1.237 7.722 -3.847 1.00 0.00 C ATOM 496 OXT ILE G 7 -1.297 11.386 -5.680 1.00 0.00 O ATOM 0 H ILE G 7 -2.089 7.885 -6.530 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.935 9.649 -4.354 1.00 0.00 H new ATOM 0 HB ILE G 7 -0.196 9.900 -4.161 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.739 6.897 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.092 7.706 -5.551 1.00 0.00 H new ATOM 0 HG21 ILE G 7 -0.423 8.784 -1.967 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -1.796 9.869 -2.291 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.990 8.109 -2.476 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.740 6.801 -4.144 1.00 0.00 H new ATOM 0 HD12 ILE G 7 1.814 8.579 -4.196 1.00 0.00 H new ATOM 0 HD13 ILE G 7 1.156 7.757 -2.761 1.00 0.00 H new TER 508 ILE G 7 ATOM 509 N ILE I 1 0.608 -11.673 -8.244 1.00 0.00 N ATOM 510 CA ILE I 1 0.555 -10.423 -7.429 1.00 0.00 C ATOM 511 C ILE I 1 0.469 -9.223 -8.354 1.00 0.00 C ATOM 512 O ILE I 1 1.297 -9.068 -9.255 1.00 0.00 O ATOM 513 CB ILE I 1 1.822 -10.324 -6.569 1.00 0.00 C ATOM 514 CG1 ILE I 1 1.826 -11.477 -5.566 1.00 0.00 C ATOM 515 CG2 ILE I 1 1.863 -8.993 -5.817 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.185 -11.549 -4.873 1.00 0.00 C ATOM 0 H1 ILE I 1 -0.076 -12.361 -7.869 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.371 -11.453 -9.233 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.565 -12.077 -8.199 1.00 0.00 H new ATOM 0 HA ILE I 1 -0.321 -10.443 -6.781 1.00 0.00 H new ATOM 0 HB ILE I 1 2.698 -10.380 -7.215 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.037 -11.333 -4.828 1.00 0.00 H new ATOM 0 HG13 ILE I 1 1.617 -12.417 -6.076 1.00 0.00 H new ATOM 0 HG21 ILE I 1 2.769 -8.944 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE I 1 1.858 -8.171 -6.532 1.00 0.00 H new ATOM 0 HG23 ILE I 1 0.991 -8.915 -5.168 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.186 -12.372 -4.158 1.00 0.00 H new ATOM 0 HD12 ILE I 1 3.964 -11.714 -5.617 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.376 -10.613 -4.349 1.00 0.00 H new ATOM 530 N HIS I 2 -0.515 -8.353 -8.119 1.00 0.00 N ATOM 531 CA HIS I 2 -0.655 -7.166 -8.929 1.00 0.00 C ATOM 532 C HIS I 2 -0.387 -5.941 -8.067 1.00 0.00 C ATOM 533 O HIS I 2 -1.086 -5.708 -7.083 1.00 0.00 O ATOM 534 CB HIS I 2 -2.111 -7.137 -9.437 1.00 0.00 C ATOM 535 CG HIS I 2 -2.453 -5.798 -10.027 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.728 -5.219 -9.922 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.709 -4.932 -10.765 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.696 -4.058 -10.588 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.498 -3.826 -11.124 1.00 0.00 N ATOM 0 H HIS I 2 -1.213 -8.455 -7.382 1.00 0.00 H new ATOM 0 HA HIS I 2 0.046 -7.168 -9.763 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.253 -7.915 -10.187 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.791 -7.359 -8.614 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.672 -5.072 -11.034 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.540 -3.390 -10.680 1.00 0.00 H new ATOM 546 N VAL I 3 0.594 -5.130 -8.469 1.00 0.00 N ATOM 547 CA VAL I 3 0.901 -3.893 -7.748 1.00 0.00 C ATOM 548 C VAL I 3 0.700 -2.705 -8.676 1.00 0.00 C ATOM 549 O VAL I 3 1.352 -2.641 -9.720 1.00 0.00 O ATOM 550 CB VAL I 3 2.349 -3.920 -7.265 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.644 -2.639 -6.494 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.573 -5.136 -6.355 1.00 0.00 C ATOM 0 H VAL I 3 1.184 -5.305 -9.282 1.00 0.00 H new ATOM 0 HA VAL I 3 0.237 -3.804 -6.888 1.00 0.00 H new ATOM 0 HB VAL I 3 3.017 -3.993 -8.123 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.677 -2.653 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.492 -1.779 -7.146 1.00 0.00 H new ATOM 0 HG13 VAL I 3 1.974 -2.568 -5.637 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.608 -5.149 -6.014 1.00 0.00 H new ATOM 0 HG22 VAL I 3 1.908 -5.073 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.362 -6.050 -6.910 1.00 0.00 H new ATOM 562 N HIS I 4 -0.164 -1.753 -8.310 1.00 0.00 N ATOM 563 CA HIS I 4 -0.371 -0.587 -9.139 1.00 0.00 C ATOM 564 C HIS I 4 0.008 0.700 -8.416 1.00 0.00 C ATOM 565 O HIS I 4 -0.427 0.940 -7.288 1.00 0.00 O ATOM 566 CB HIS I 4 -1.835 -0.570 -9.612 1.00 0.00 C ATOM 567 CG HIS I 4 -1.956 0.266 -10.855 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.344 -0.241 -12.109 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.749 1.591 -11.037 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.356 0.790 -12.968 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.003 1.932 -12.368 1.00 0.00 N ATOM 0 H HIS I 4 -0.719 -1.776 -7.455 1.00 0.00 H new ATOM 0 HA HIS I 4 0.285 -0.644 -10.007 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.175 -1.586 -9.811 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.476 -0.168 -8.828 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.435 2.282 -10.268 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.618 0.708 -14.013 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -1.934 2.857 -12.793 1.00 0.00 H new ATOM 579 N LEU I 5 0.807 1.537 -9.091 1.00 0.00 N ATOM 580 CA LEU I 5 1.237 2.822 -8.528 1.00 0.00 C ATOM 581 C LEU I 5 0.780 3.953 -9.435 1.00 0.00 C ATOM 582 O LEU I 5 1.323 4.127 -10.528 1.00 0.00 O ATOM 583 CB LEU I 5 2.764 2.866 -8.439 1.00 0.00 C ATOM 584 CG LEU I 5 3.292 1.616 -7.726 1.00 0.00 C ATOM 585 CD1 LEU I 5 4.832 1.696 -7.625 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.653 1.492 -6.332 1.00 0.00 C ATOM 0 H LEU I 5 1.168 1.347 -10.026 1.00 0.00 H new ATOM 0 HA LEU I 5 0.802 2.933 -7.535 1.00 0.00 H new ATOM 0 HB2 LEU I 5 3.192 2.930 -9.440 1.00 0.00 H new ATOM 0 HB3 LEU I 5 3.078 3.760 -7.900 1.00 0.00 H new ATOM 0 HG LEU I 5 3.025 0.727 -8.298 1.00 0.00 H new ATOM 0 HD11 LEU I 5 5.210 0.808 -7.118 1.00 0.00 H new ATOM 0 HD12 LEU I 5 5.260 1.752 -8.626 1.00 0.00 H new ATOM 0 HD13 LEU I 5 5.114 2.584 -7.059 1.00 0.00 H new ATOM 0 HD21 LEU I 5 3.035 0.601 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU I 5 2.900 2.373 -5.739 1.00 0.00 H new ATOM 0 HD23 LEU I 5 1.570 1.415 -6.434 1.00 0.00 H new ATOM 598 N GLN I 6 -0.196 4.737 -8.978 1.00 0.00 N ATOM 599 CA GLN I 6 -0.688 5.870 -9.760 1.00 0.00 C ATOM 600 C GLN I 6 -0.406 7.148 -8.994 1.00 0.00 C ATOM 601 O GLN I 6 -0.902 7.340 -7.884 1.00 0.00 O ATOM 602 CB GLN I 6 -2.188 5.709 -10.042 1.00 0.00 C ATOM 603 CG GLN I 6 -2.678 6.876 -10.907 1.00 0.00 C ATOM 604 CD GLN I 6 -4.182 6.772 -11.146 1.00 0.00 C ATOM 605 OE1 GLN I 6 -4.978 6.775 -10.205 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.618 6.678 -12.371 1.00 0.00 N ATOM 0 H GLN I 6 -0.658 4.610 -8.078 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.177 5.912 -10.722 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.373 4.763 -10.551 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.743 5.680 -9.105 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.447 7.822 -10.417 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.152 6.875 -11.861 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.958 6.676 -13.149 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.619 6.607 -12.552 1.00 0.00 H new ATOM 615 N ILE I 7 0.423 8.006 -9.583 1.00 0.00 N ATOM 616 CA ILE I 7 0.808 9.259 -8.936 1.00 0.00 C ATOM 617 C ILE I 7 1.015 10.352 -9.986 1.00 0.00 C ATOM 618 O ILE I 7 1.610 11.362 -9.650 1.00 0.00 O ATOM 619 CB ILE I 7 2.115 9.048 -8.119 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.277 7.562 -7.746 1.00 0.00 C ATOM 621 CG2 ILE I 7 2.075 9.892 -6.840 1.00 0.00 C ATOM 622 CD1 ILE I 7 3.555 7.362 -6.926 1.00 0.00 C ATOM 623 OXT ILE I 7 0.579 10.157 -11.109 1.00 0.00 O ATOM 0 H ILE I 7 0.840 7.859 -10.502 1.00 0.00 H new ATOM 0 HA ILE I 7 0.011 9.570 -8.260 1.00 0.00 H new ATOM 0 HB ILE I 7 2.961 9.358 -8.732 1.00 0.00 H new ATOM 0 HG12 ILE I 7 1.412 7.226 -7.174 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.317 6.954 -8.650 1.00 0.00 H new ATOM 0 HG21 ILE I 7 2.994 9.738 -6.274 1.00 0.00 H new ATOM 0 HG22 ILE I 7 1.982 10.946 -7.102 1.00 0.00 H new ATOM 0 HG23 ILE I 7 1.221 9.593 -6.233 1.00 0.00 H new ATOM 0 HD11 ILE I 7 3.660 6.308 -6.667 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.417 7.680 -7.513 1.00 0.00 H new ATOM 0 HD13 ILE I 7 3.498 7.956 -6.014 1.00 0.00 H new TER 635 ILE I 7 ATOM 636 N ILE K 1 4.019 -11.697 -11.713 1.00 0.00 N ATOM 637 CA ILE K 1 3.832 -10.426 -10.954 1.00 0.00 C ATOM 638 C ILE K 1 3.709 -9.274 -11.939 1.00 0.00 C ATOM 639 O ILE K 1 4.609 -9.057 -12.751 1.00 0.00 O ATOM 640 CB ILE K 1 5.049 -10.184 -10.050 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.205 -11.366 -9.089 1.00 0.00 C ATOM 642 CG2 ILE K 1 4.850 -8.899 -9.243 1.00 0.00 C ATOM 643 CD1 ILE K 1 6.520 -11.232 -8.322 1.00 0.00 C ATOM 0 H1 ILE K 1 3.643 -12.492 -11.157 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.512 -11.638 -12.619 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.032 -11.849 -11.892 1.00 0.00 H new ATOM 0 HA ILE K 1 2.932 -10.494 -10.344 1.00 0.00 H new ATOM 0 HB ILE K 1 5.943 -10.086 -10.666 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.367 -11.395 -8.392 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.190 -12.304 -9.644 1.00 0.00 H new ATOM 0 HG21 ILE K 1 5.717 -8.733 -8.604 1.00 0.00 H new ATOM 0 HG22 ILE K 1 4.735 -8.056 -9.924 1.00 0.00 H new ATOM 0 HG23 ILE K 1 3.956 -8.992 -8.626 1.00 0.00 H new ATOM 0 HD11 ILE K 1 6.630 -12.074 -7.638 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.352 -11.225 -9.026 1.00 0.00 H new ATOM 0 HD13 ILE K 1 6.517 -10.302 -7.754 1.00 0.00 H new ATOM 657 N HIS K 2 2.617 -8.511 -11.853 1.00 0.00 N ATOM 658 CA HIS K 2 2.448 -7.361 -12.743 1.00 0.00 C ATOM 659 C HIS K 2 2.640 -6.087 -11.930 1.00 0.00 C ATOM 660 O HIS K 2 1.933 -5.856 -10.948 1.00 0.00 O ATOM 661 CB HIS K 2 1.022 -7.366 -13.341 1.00 0.00 C ATOM 662 CG HIS K 2 0.978 -8.163 -14.619 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.627 -7.589 -15.835 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.215 -9.489 -14.887 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.662 -8.561 -16.765 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.013 -9.738 -16.240 1.00 0.00 N ATOM 0 H HIS K 2 1.854 -8.663 -11.193 1.00 0.00 H new ATOM 0 HA HIS K 2 3.177 -7.412 -13.552 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.322 -7.789 -12.620 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.701 -6.343 -13.535 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.513 -10.227 -14.157 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.434 -8.408 -17.809 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.112 -10.629 -16.727 1.00 0.00 H new ATOM 674 N VAL K 3 3.576 -5.251 -12.368 1.00 0.00 N ATOM 675 CA VAL K 3 3.834 -3.975 -11.706 1.00 0.00 C ATOM 676 C VAL K 3 3.495 -2.835 -12.664 1.00 0.00 C ATOM 677 O VAL K 3 4.004 -2.800 -13.785 1.00 0.00 O ATOM 678 CB VAL K 3 5.305 -3.913 -11.277 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.577 -2.567 -10.597 1.00 0.00 C ATOM 680 CG2 VAL K 3 5.618 -5.075 -10.306 1.00 0.00 C ATOM 0 H VAL K 3 4.169 -5.433 -13.178 1.00 0.00 H new ATOM 0 HA VAL K 3 3.211 -3.879 -10.817 1.00 0.00 H new ATOM 0 HB VAL K 3 5.946 -4.009 -12.153 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.622 -2.519 -10.290 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.366 -1.757 -11.296 1.00 0.00 H new ATOM 0 HG13 VAL K 3 4.937 -2.466 -9.721 1.00 0.00 H new ATOM 0 HG21 VAL K 3 6.664 -5.026 -10.005 1.00 0.00 H new ATOM 0 HG22 VAL K 3 4.982 -4.994 -9.424 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.428 -6.026 -10.804 1.00 0.00 H new ATOM 690 N HIS K 4 2.641 -1.907 -12.233 1.00 0.00 N ATOM 691 CA HIS K 4 2.253 -0.772 -13.087 1.00 0.00 C ATOM 692 C HIS K 4 2.685 0.551 -12.448 1.00 0.00 C ATOM 693 O HIS K 4 2.392 0.800 -11.279 1.00 0.00 O ATOM 694 CB HIS K 4 0.715 -0.782 -13.304 1.00 0.00 C ATOM 695 CG HIS K 4 0.250 -2.080 -13.968 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.945 -2.725 -13.614 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.795 -2.855 -14.970 1.00 0.00 C ATOM 698 CE1 HIS K 4 -1.061 -3.819 -14.387 1.00 0.00 C ATOM 699 NE2 HIS K 4 -0.031 -3.948 -15.228 1.00 0.00 N ATOM 0 H HIS K 4 2.206 -1.913 -11.310 1.00 0.00 H new ATOM 0 HA HIS K 4 2.753 -0.869 -14.051 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.211 -0.662 -12.345 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.429 0.068 -13.924 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.724 -2.646 -15.479 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.888 -4.511 -14.334 1.00 0.00 H new ATOM 706 N LEU K 5 3.363 1.406 -13.223 1.00 0.00 N ATOM 707 CA LEU K 5 3.813 2.718 -12.725 1.00 0.00 C ATOM 708 C LEU K 5 3.339 3.833 -13.646 1.00 0.00 C ATOM 709 O LEU K 5 3.653 3.843 -14.836 1.00 0.00 O ATOM 710 CB LEU K 5 5.347 2.746 -12.612 1.00 0.00 C ATOM 711 CG LEU K 5 5.844 4.167 -12.279 1.00 0.00 C ATOM 712 CD1 LEU K 5 5.204 4.663 -10.978 1.00 0.00 C ATOM 713 CD2 LEU K 5 7.378 4.151 -12.122 1.00 0.00 C ATOM 0 H LEU K 5 3.613 1.217 -14.194 1.00 0.00 H new ATOM 0 HA LEU K 5 3.381 2.876 -11.737 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.672 2.051 -11.838 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.792 2.410 -13.549 1.00 0.00 H new ATOM 0 HG LEU K 5 5.563 4.839 -13.090 1.00 0.00 H new ATOM 0 HD11 LEU K 5 5.564 5.667 -10.755 1.00 0.00 H new ATOM 0 HD12 LEU K 5 4.120 4.683 -11.090 1.00 0.00 H new ATOM 0 HD13 LEU K 5 5.472 3.992 -10.162 1.00 0.00 H new ATOM 0 HD21 LEU K 5 7.730 5.155 -11.887 1.00 0.00 H new ATOM 0 HD22 LEU K 5 7.654 3.471 -11.316 1.00 0.00 H new ATOM 0 HD23 LEU K 5 7.835 3.815 -13.053 1.00 0.00 H new ATOM 725 N GLN K 6 2.603 4.790 -13.079 1.00 0.00 N ATOM 726 CA GLN K 6 2.113 5.930 -13.850 1.00 0.00 C ATOM 727 C GLN K 6 2.431 7.222 -13.104 1.00 0.00 C ATOM 728 O GLN K 6 1.949 7.451 -11.994 1.00 0.00 O ATOM 729 CB GLN K 6 0.602 5.785 -14.089 1.00 0.00 C ATOM 730 CG GLN K 6 0.094 6.933 -14.970 1.00 0.00 C ATOM 731 CD GLN K 6 -1.423 6.833 -15.142 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.173 6.883 -14.165 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.922 6.690 -16.339 1.00 0.00 N ATOM 0 H GLN K 6 2.335 4.798 -12.095 1.00 0.00 H new ATOM 0 HA GLN K 6 2.608 5.961 -14.821 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.392 4.829 -14.568 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.074 5.787 -13.136 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.354 7.890 -14.519 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.581 6.897 -15.944 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.302 6.649 -17.148 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.932 6.620 -16.466 1.00 0.00 H new ATOM 742 N ILE K 7 3.260 8.055 -13.728 1.00 0.00 N ATOM 743 CA ILE K 7 3.676 9.329 -13.140 1.00 0.00 C ATOM 744 C ILE K 7 3.945 10.344 -14.254 1.00 0.00 C ATOM 745 O ILE K 7 3.664 10.027 -15.398 1.00 0.00 O ATOM 746 CB ILE K 7 4.958 9.136 -12.273 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.691 7.866 -12.712 1.00 0.00 C ATOM 748 CG2 ILE K 7 4.592 9.027 -10.793 1.00 0.00 C ATOM 749 CD1 ILE K 7 7.110 7.867 -12.138 1.00 0.00 C ATOM 750 OXT ILE K 7 4.432 11.418 -13.944 1.00 0.00 O ATOM 0 H ILE K 7 3.660 7.870 -14.648 1.00 0.00 H new ATOM 0 HA ILE K 7 2.877 9.700 -12.498 1.00 0.00 H new ATOM 0 HB ILE K 7 5.606 10.001 -12.413 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.150 6.985 -12.368 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.728 7.813 -13.800 1.00 0.00 H new ATOM 0 HG21 ILE K 7 5.499 8.893 -10.203 1.00 0.00 H new ATOM 0 HG22 ILE K 7 4.084 9.938 -10.476 1.00 0.00 H new ATOM 0 HG23 ILE K 7 3.932 8.173 -10.643 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.630 6.962 -12.452 1.00 0.00 H new ATOM 0 HD12 ILE K 7 7.650 8.741 -12.503 1.00 0.00 H new ATOM 0 HD13 ILE K 7 7.062 7.899 -11.050 1.00 0.00 H new TER 762 ILE K 7 ATOM 763 N ILE O 1 -3.783 11.460 12.777 1.00 0.00 N ATOM 764 CA ILE O 1 -4.541 10.226 13.129 1.00 0.00 C ATOM 765 C ILE O 1 -3.692 9.002 12.807 1.00 0.00 C ATOM 766 O ILE O 1 -3.208 8.846 11.683 1.00 0.00 O ATOM 767 CB ILE O 1 -5.849 10.181 12.323 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.724 11.374 12.722 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.601 8.882 12.616 1.00 0.00 C ATOM 770 CD1 ILE O 1 -7.930 11.474 11.783 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.094 12.244 13.385 1.00 0.00 H new ATOM 0 H2 ILE O 1 -2.766 11.295 12.919 1.00 0.00 H new ATOM 0 H3 ILE O 1 -3.959 11.703 11.781 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.776 10.231 14.193 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.618 10.226 11.259 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.063 11.259 13.752 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.141 12.294 12.679 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.526 8.859 12.040 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -5.979 8.031 12.337 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.834 8.828 13.679 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.547 12.324 12.073 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.583 11.610 10.759 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.519 10.559 11.848 1.00 0.00 H new ATOM 784 N HIS O 2 -3.519 8.120 13.794 1.00 0.00 N ATOM 785 CA HIS O 2 -2.755 6.921 13.590 1.00 0.00 C ATOM 786 C HIS O 2 -3.688 5.722 13.694 1.00 0.00 C ATOM 787 O HIS O 2 -4.314 5.507 14.732 1.00 0.00 O ATOM 788 CB HIS O 2 -1.712 6.886 14.727 1.00 0.00 C ATOM 789 CG HIS O 2 -1.109 5.524 14.888 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.735 5.008 16.136 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.758 4.584 13.972 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.182 3.807 15.924 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.164 3.493 14.628 1.00 0.00 N ATOM 0 H HIS O 2 -3.902 8.227 14.733 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.272 6.895 12.613 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -0.924 7.610 14.520 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.184 7.187 15.662 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -0.861 5.464 17.040 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.912 4.663 12.906 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.203 3.170 16.707 1.00 0.00 H new ATOM 800 N VAL O 3 -3.747 4.916 12.633 1.00 0.00 N ATOM 801 CA VAL O 3 -4.574 3.708 12.642 1.00 0.00 C ATOM 802 C VAL O 3 -3.693 2.485 12.448 1.00 0.00 C ATOM 803 O VAL O 3 -2.987 2.399 11.443 1.00 0.00 O ATOM 804 CB VAL O 3 -5.618 3.772 11.532 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.486 2.521 11.606 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.491 5.023 11.705 1.00 0.00 C ATOM 0 H VAL O 3 -3.237 5.075 11.764 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.086 3.639 13.602 1.00 0.00 H new ATOM 0 HB VAL O 3 -5.123 3.824 10.562 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -7.238 2.553 10.818 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.862 1.637 11.477 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.980 2.478 12.577 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -7.234 5.061 10.908 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.996 4.984 12.670 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.864 5.913 11.659 1.00 0.00 H new ATOM 816 N HIS O 4 -3.732 1.531 13.383 1.00 0.00 N ATOM 817 CA HIS O 4 -2.936 0.330 13.260 1.00 0.00 C ATOM 818 C HIS O 4 -3.804 -0.923 13.175 1.00 0.00 C ATOM 819 O HIS O 4 -4.704 -1.125 13.990 1.00 0.00 O ATOM 820 CB HIS O 4 -1.962 0.264 14.450 1.00 0.00 C ATOM 821 CG HIS O 4 -0.780 -0.591 14.093 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.543 -0.119 14.051 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.720 -1.902 13.761 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.323 -1.156 13.703 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.604 -2.270 13.518 1.00 0.00 N ATOM 0 H HIS O 4 -4.306 1.576 14.225 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.372 0.368 12.328 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.630 1.267 14.716 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.468 -0.146 15.324 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.570 -2.565 13.694 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.395 -1.098 13.587 1.00 0.00 H new ATOM 0 HE2 HIS O 4 0.951 -3.193 13.255 1.00 0.00 H new ATOM 833 N LEU O 5 -3.507 -1.772 12.187 1.00 0.00 N ATOM 834 CA LEU O 5 -4.243 -3.028 11.994 1.00 0.00 C ATOM 835 C LEU O 5 -3.270 -4.193 12.076 1.00 0.00 C ATOM 836 O LEU O 5 -2.442 -4.375 11.182 1.00 0.00 O ATOM 837 CB LEU O 5 -4.884 -3.034 10.610 1.00 0.00 C ATOM 838 CG LEU O 5 -5.736 -1.779 10.422 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.353 -1.793 9.013 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.835 -1.723 11.496 1.00 0.00 C ATOM 0 H LEU O 5 -2.763 -1.614 11.508 1.00 0.00 H new ATOM 0 HA LEU O 5 -5.011 -3.118 12.763 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -4.111 -3.077 9.843 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -5.502 -3.924 10.490 1.00 0.00 H new ATOM 0 HG LEU O 5 -5.112 -0.892 10.528 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -6.962 -0.900 8.874 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.558 -1.810 8.268 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -6.977 -2.679 8.898 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -7.437 -0.825 11.354 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -7.471 -2.604 11.412 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.377 -1.700 12.485 1.00 0.00 H new ATOM 852 N GLN O 6 -3.380 -4.993 13.130 1.00 0.00 N ATOM 853 CA GLN O 6 -2.510 -6.158 13.296 1.00 0.00 C ATOM 854 C GLN O 6 -3.379 -7.402 13.296 1.00 0.00 C ATOM 855 O GLN O 6 -4.238 -7.570 14.162 1.00 0.00 O ATOM 856 CB GLN O 6 -1.725 -6.044 14.606 1.00 0.00 C ATOM 857 CG GLN O 6 -0.739 -7.210 14.721 1.00 0.00 C ATOM 858 CD GLN O 6 -0.023 -7.154 16.065 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.668 -7.055 17.110 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.280 -7.193 16.100 1.00 0.00 N ATOM 0 H GLN O 6 -4.058 -4.860 13.880 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.790 -6.214 12.480 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.187 -5.096 14.638 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.410 -6.050 15.453 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.269 -8.157 14.621 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.012 -7.164 13.910 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.811 -7.275 15.233 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.768 -7.142 16.994 1.00 0.00 H new ATOM 869 N ILE O 7 -3.175 -8.262 12.302 1.00 0.00 N ATOM 870 CA ILE O 7 -3.977 -9.477 12.179 1.00 0.00 C ATOM 871 C ILE O 7 -3.143 -10.597 11.554 1.00 0.00 C ATOM 872 O ILE O 7 -3.729 -11.580 11.132 1.00 0.00 O ATOM 873 CB ILE O 7 -5.235 -9.195 11.307 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.573 -7.691 11.321 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.434 -9.978 11.852 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.779 -7.419 10.414 1.00 0.00 C ATOM 877 OXT ILE O 7 -1.932 -10.451 11.504 1.00 0.00 O ATOM 0 H ILE O 7 -2.468 -8.143 11.576 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.298 -9.792 13.172 1.00 0.00 H new ATOM 0 HB ILE O 7 -5.021 -9.508 10.285 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -5.792 -7.368 12.339 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.714 -7.113 10.981 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -7.311 -9.776 11.237 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.213 -11.045 11.829 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -6.633 -9.671 12.879 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -7.012 -6.354 10.429 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -6.544 -7.725 9.395 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.639 -7.984 10.773 1.00 0.00 H new TER 889 ILE O 7 ATOM 890 N ILE Q 1 -1.390 11.605 8.504 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.063 10.351 8.949 1.00 0.00 C ATOM 892 C ILE Q 1 -1.113 9.176 8.741 1.00 0.00 C ATOM 893 O ILE Q 1 -0.572 8.988 7.648 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.341 10.134 8.117 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.280 11.327 8.317 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -4.052 8.857 8.573 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.444 11.238 7.325 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.531 12.347 9.219 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.372 11.429 8.384 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.797 11.915 7.599 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.327 10.427 10.004 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.072 10.041 7.065 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.660 11.336 9.339 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.735 12.260 8.171 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.955 8.711 7.979 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.388 8.003 8.439 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.321 8.946 9.626 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -6.111 12.088 7.469 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -5.056 11.250 6.307 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.995 10.312 7.492 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.919 8.362 9.780 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.053 7.188 9.638 1.00 0.00 C ATOM 913 C HIS Q 2 -0.922 5.940 9.705 1.00 0.00 C ATOM 914 O HIS Q 2 -1.618 5.713 10.697 1.00 0.00 O ATOM 915 CB HIS Q 2 0.987 7.162 10.781 1.00 0.00 C ATOM 916 CG HIS Q 2 2.222 7.947 10.401 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.479 7.361 10.332 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.414 9.273 10.089 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.358 8.321 9.992 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.762 9.505 9.833 1.00 0.00 N ATOM 0 H HIS Q 2 -1.335 8.486 10.703 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.476 7.227 8.686 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.549 7.581 11.687 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.261 6.131 11.006 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.636 10.021 10.049 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.417 8.154 9.863 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.201 10.390 9.578 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.849 5.112 8.664 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.601 3.859 8.631 1.00 0.00 C ATOM 930 C VAL Q 3 -0.631 2.688 8.605 1.00 0.00 C ATOM 931 O VAL Q 3 0.239 2.624 7.734 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.516 3.837 7.402 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.278 2.508 7.371 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.514 5.027 7.474 1.00 0.00 C ATOM 0 H VAL Q 3 -0.279 5.285 7.836 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.223 3.777 9.523 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.921 3.933 6.494 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.932 2.484 6.499 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.568 1.683 7.315 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.877 2.411 8.277 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.164 5.010 6.599 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -4.118 4.941 8.377 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.960 5.966 7.496 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.780 1.760 9.546 1.00 0.00 N ATOM 945 CA HIS Q 4 0.103 0.588 9.602 1.00 0.00 C ATOM 946 C HIS Q 4 -0.711 -0.695 9.419 1.00 0.00 C ATOM 947 O HIS Q 4 -1.708 -0.901 10.112 1.00 0.00 O ATOM 948 CB HIS Q 4 0.845 0.560 10.964 1.00 0.00 C ATOM 949 CG HIS Q 4 1.652 1.842 11.201 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.734 2.451 12.461 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.421 2.635 10.367 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.513 3.541 12.341 1.00 0.00 C ATOM 953 NE2 HIS Q 4 2.958 3.705 11.090 1.00 0.00 N ATOM 0 H HIS Q 4 -1.493 1.791 10.274 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.835 0.653 8.797 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.121 0.432 11.769 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.513 -0.301 10.996 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.582 2.454 9.315 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.751 4.206 13.158 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.271 -1.565 8.505 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.957 -2.846 8.260 1.00 0.00 C ATOM 962 C LEU Q 5 0.029 -3.996 8.381 1.00 0.00 C ATOM 963 O LEU Q 5 1.030 -4.045 7.665 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.602 -2.853 6.861 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.146 -4.258 6.511 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -3.205 -4.682 7.536 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -2.766 -4.245 5.094 1.00 0.00 C ATOM 0 H LEU Q 5 0.552 -1.411 7.923 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.742 -2.968 9.007 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -2.413 -2.126 6.826 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -0.868 -2.547 6.116 1.00 0.00 H new ATOM 0 HG LEU Q 5 -1.322 -4.971 6.535 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.582 -5.672 7.281 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -2.759 -4.708 8.530 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -4.028 -3.967 7.526 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -3.147 -5.238 4.854 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -3.584 -3.525 5.061 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -2.005 -3.963 4.366 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.277 -4.938 9.269 1.00 0.00 N ATOM 980 CA GLN Q 6 0.570 -6.112 9.458 1.00 0.00 C ATOM 981 C GLN Q 6 -0.297 -7.364 9.427 1.00 0.00 C ATOM 982 O GLN Q 6 -1.206 -7.528 10.239 1.00 0.00 O ATOM 983 CB GLN Q 6 1.329 -6.005 10.786 1.00 0.00 C ATOM 984 CG GLN Q 6 2.283 -7.194 10.935 1.00 0.00 C ATOM 985 CD GLN Q 6 2.979 -7.139 12.289 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.326 -7.177 13.332 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.283 -7.044 12.332 1.00 0.00 N ATOM 0 H GLN Q 6 -1.103 -4.912 9.867 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.304 -6.170 8.654 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.889 -5.071 10.821 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.625 -5.986 11.618 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.730 -8.128 10.839 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 3.024 -7.179 10.136 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.821 -7.013 11.466 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.762 -7.001 13.232 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.010 -8.233 8.466 1.00 0.00 N ATOM 997 CA ILE Q 7 -0.765 -9.474 8.292 1.00 0.00 C ATOM 998 C ILE Q 7 0.131 -10.527 7.637 1.00 0.00 C ATOM 999 O ILE Q 7 1.319 -10.275 7.518 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.029 -9.216 7.415 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -1.853 -7.910 6.630 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.281 -9.115 8.292 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -2.856 -7.856 5.473 1.00 0.00 C ATOM 1004 OXT ILE Q 7 -0.386 -11.567 7.263 1.00 0.00 O ATOM 0 H ILE Q 7 0.743 -8.103 7.791 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.091 -9.838 9.266 1.00 0.00 H new ATOM 0 HB ILE Q 7 -2.149 -10.050 6.724 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -2.001 -7.056 7.291 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -0.836 -7.842 6.244 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -4.153 -8.935 7.663 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.416 -10.047 8.841 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -3.166 -8.292 8.997 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -2.725 -6.926 4.921 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -2.687 -8.701 4.806 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.871 -7.903 5.869 1.00 0.00 H new TER 1016 ILE Q 7 ATOM 1017 N ILE S 1 1.715 11.635 4.904 1.00 0.00 N ATOM 1018 CA ILE S 1 0.962 10.381 5.201 1.00 0.00 C ATOM 1019 C ILE S 1 1.868 9.180 4.959 1.00 0.00 C ATOM 1020 O ILE S 1 2.455 9.035 3.879 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.279 10.310 4.294 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.224 11.457 4.660 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -1.010 8.975 4.470 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.353 11.551 3.631 1.00 0.00 C ATOM 0 H1 ILE S 1 1.345 12.410 5.491 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.723 11.493 5.115 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.602 11.878 3.899 1.00 0.00 H new ATOM 0 HA ILE S 1 0.640 10.375 6.242 1.00 0.00 H new ATOM 0 HB ILE S 1 0.038 10.393 3.255 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.639 11.294 5.654 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.673 12.397 4.695 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.883 8.950 3.818 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.339 8.156 4.210 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.328 8.868 5.507 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -3.021 12.369 3.898 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -1.931 11.735 2.643 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.912 10.615 3.618 1.00 0.00 H new ATOM 1038 N HIS S 2 1.972 8.305 5.963 1.00 0.00 N ATOM 1039 CA HIS S 2 2.787 7.121 5.828 1.00 0.00 C ATOM 1040 C HIS S 2 1.888 5.894 5.850 1.00 0.00 C ATOM 1041 O HIS S 2 1.187 5.655 6.832 1.00 0.00 O ATOM 1042 CB HIS S 2 3.731 7.086 7.046 1.00 0.00 C ATOM 1043 CG HIS S 2 4.389 5.742 7.189 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.648 5.139 8.434 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.888 4.892 6.254 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.280 3.986 8.196 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.458 3.777 6.894 1.00 0.00 N ATOM 0 H HIS S 2 1.503 8.402 6.864 1.00 0.00 H new ATOM 0 HA HIS S 2 3.351 7.131 4.895 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.494 7.857 6.940 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.169 7.316 7.951 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.852 5.048 5.186 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.607 3.305 8.968 1.00 0.00 H new ATOM 1054 N VAL S 3 1.950 5.090 4.790 1.00 0.00 N ATOM 1055 CA VAL S 3 1.173 3.852 4.732 1.00 0.00 C ATOM 1056 C VAL S 3 2.117 2.666 4.607 1.00 0.00 C ATOM 1057 O VAL S 3 2.891 2.607 3.650 1.00 0.00 O ATOM 1058 CB VAL S 3 0.230 3.888 3.537 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.594 2.609 3.520 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.702 5.102 3.646 1.00 0.00 C ATOM 0 H VAL S 3 2.524 5.270 3.967 1.00 0.00 H new ATOM 0 HA VAL S 3 0.586 3.752 5.645 1.00 0.00 H new ATOM 0 HB VAL S 3 0.808 3.968 2.616 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -1.273 2.625 2.667 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.071 1.749 3.438 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -1.171 2.536 4.442 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.374 5.123 2.788 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.286 5.031 4.563 1.00 0.00 H new ATOM 0 HG23 VAL S 3 -0.108 6.016 3.664 1.00 0.00 H new ATOM 1070 N HIS S 4 2.053 1.710 5.538 1.00 0.00 N ATOM 1071 CA HIS S 4 2.903 0.543 5.462 1.00 0.00 C ATOM 1072 C HIS S 4 2.090 -0.740 5.332 1.00 0.00 C ATOM 1073 O HIS S 4 1.164 -0.979 6.107 1.00 0.00 O ATOM 1074 CB HIS S 4 3.815 0.518 6.700 1.00 0.00 C ATOM 1075 CG HIS S 4 5.034 -0.312 6.414 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.346 0.196 6.410 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.143 -1.630 6.128 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.165 -0.829 6.130 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.486 -1.967 5.952 1.00 0.00 N ATOM 0 H HIS S 4 1.425 1.730 6.341 1.00 0.00 H new ATOM 0 HA HIS S 4 3.517 0.602 4.564 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.109 1.533 6.968 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.275 0.107 7.553 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.315 -2.318 6.048 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.239 -0.745 6.057 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.869 -2.887 5.734 1.00 0.00 H new ATOM 1087 N LEU S 5 2.467 -1.572 4.356 1.00 0.00 N ATOM 1088 CA LEU S 5 1.792 -2.854 4.122 1.00 0.00 C ATOM 1089 C LEU S 5 2.793 -3.988 4.261 1.00 0.00 C ATOM 1090 O LEU S 5 3.666 -4.152 3.408 1.00 0.00 O ATOM 1091 CB LEU S 5 1.221 -2.885 2.705 1.00 0.00 C ATOM 1092 CG LEU S 5 0.365 -1.642 2.453 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.208 -1.699 1.024 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.764 -1.558 3.496 1.00 0.00 C ATOM 0 H LEU S 5 3.237 -1.381 3.714 1.00 0.00 H new ATOM 0 HA LEU S 5 0.989 -2.969 4.850 1.00 0.00 H new ATOM 0 HB2 LEU S 5 2.033 -2.930 1.979 1.00 0.00 H new ATOM 0 HB3 LEU S 5 0.620 -3.784 2.567 1.00 0.00 H new ATOM 0 HG LEU S 5 0.980 -0.747 2.549 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.818 -0.815 0.841 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.610 -1.730 0.305 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.822 -2.593 0.914 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -1.368 -0.670 3.308 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -1.392 -2.446 3.424 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -0.333 -1.499 4.495 1.00 0.00 H new ATOM 1106 N GLN S 6 2.656 -4.785 5.317 1.00 0.00 N ATOM 1107 CA GLN S 6 3.547 -5.921 5.531 1.00 0.00 C ATOM 1108 C GLN S 6 2.723 -7.195 5.497 1.00 0.00 C ATOM 1109 O GLN S 6 1.818 -7.380 6.312 1.00 0.00 O ATOM 1110 CB GLN S 6 4.276 -5.777 6.872 1.00 0.00 C ATOM 1111 CG GLN S 6 5.255 -6.942 7.056 1.00 0.00 C ATOM 1112 CD GLN S 6 5.930 -6.855 8.420 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.261 -6.865 9.457 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.233 -6.773 8.475 1.00 0.00 N ATOM 0 H GLN S 6 1.941 -4.666 6.034 1.00 0.00 H new ATOM 0 HA GLN S 6 4.302 -5.958 4.745 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.813 -4.829 6.905 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.555 -5.763 7.689 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.724 -7.890 6.965 1.00 0.00 H new ATOM 0 HG3 GLN S 6 6.008 -6.921 6.268 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.780 -6.765 7.614 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.703 -6.717 9.379 1.00 0.00 H new ATOM 1123 N ILE S 7 3.019 -8.057 4.528 1.00 0.00 N ATOM 1124 CA ILE S 7 2.274 -9.302 4.369 1.00 0.00 C ATOM 1125 C ILE S 7 3.192 -10.391 3.811 1.00 0.00 C ATOM 1126 O ILE S 7 2.675 -11.395 3.350 1.00 0.00 O ATOM 1127 CB ILE S 7 1.067 -9.078 3.413 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.671 -7.587 3.390 1.00 0.00 C ATOM 1129 CG2 ILE S 7 -0.126 -9.921 3.867 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.492 -7.365 2.415 1.00 0.00 C ATOM 1131 OXT ILE S 7 4.396 -10.197 3.846 1.00 0.00 O ATOM 0 H ILE S 7 3.764 -7.918 3.846 1.00 0.00 H new ATOM 0 HA ILE S 7 1.900 -9.621 5.342 1.00 0.00 H new ATOM 0 HB ILE S 7 1.359 -9.382 2.408 1.00 0.00 H new ATOM 0 HG12 ILE S 7 0.384 -7.264 4.390 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.526 -6.980 3.092 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.966 -9.757 3.191 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.148 -10.976 3.855 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.412 -9.632 4.878 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.763 -6.309 2.407 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -0.190 -7.670 1.413 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -1.350 -7.958 2.731 1.00 0.00 H new TER 1143 ILE S 7 ATOM 1144 N ILE U 1 4.301 11.691 0.692 1.00 0.00 N ATOM 1145 CA ILE U 1 3.632 10.429 1.113 1.00 0.00 C ATOM 1146 C ILE U 1 4.596 9.264 0.918 1.00 0.00 C ATOM 1147 O ILE U 1 5.149 9.077 -0.173 1.00 0.00 O ATOM 1148 CB ILE U 1 2.376 10.204 0.254 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.427 11.392 0.431 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.666 8.922 0.698 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.277 11.283 -0.572 1.00 0.00 C ATOM 0 H1 ILE U 1 4.081 12.445 1.374 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.330 11.544 0.658 1.00 0.00 H new ATOM 0 H3 ILE U 1 3.960 11.967 -0.251 1.00 0.00 H new ATOM 0 HA ILE U 1 3.345 10.497 2.162 1.00 0.00 H new ATOM 0 HB ILE U 1 2.666 10.112 -0.793 1.00 0.00 H new ATOM 0 HG12 ILE U 1 1.036 11.409 1.448 1.00 0.00 H new ATOM 0 HG13 ILE U 1 1.967 12.327 0.281 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.777 8.768 0.086 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.340 8.073 0.580 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.375 9.011 1.745 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.398 12.129 -0.445 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.677 11.287 -1.586 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.268 10.355 -0.401 1.00 0.00 H new ATOM 1165 N HIS U 2 4.788 8.457 1.965 1.00 0.00 N ATOM 1166 CA HIS U 2 5.673 7.295 1.840 1.00 0.00 C ATOM 1167 C HIS U 2 4.824 6.033 1.890 1.00 0.00 C ATOM 1168 O HIS U 2 4.110 5.794 2.866 1.00 0.00 O ATOM 1169 CB HIS U 2 6.691 7.280 3.004 1.00 0.00 C ATOM 1170 CG HIS U 2 7.927 8.073 2.646 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.190 7.494 2.596 1.00 0.00 N ATOM 1172 CD2 HIS U 2 8.114 9.399 2.337 1.00 0.00 C ATOM 1173 CE1 HIS U 2 10.066 8.462 2.269 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.463 9.641 2.101 1.00 0.00 N ATOM 0 H HIS U 2 4.358 8.579 2.882 1.00 0.00 H new ATOM 0 HA HIS U 2 6.218 7.345 0.897 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.232 7.698 3.900 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.968 6.252 3.238 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.331 10.141 2.285 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.128 8.304 2.156 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.898 10.529 1.853 1.00 0.00 H new ATOM 1182 N VAL U 3 4.937 5.208 0.853 1.00 0.00 N ATOM 1183 CA VAL U 3 4.210 3.942 0.799 1.00 0.00 C ATOM 1184 C VAL U 3 5.202 2.789 0.799 1.00 0.00 C ATOM 1185 O VAL U 3 6.099 2.745 -0.046 1.00 0.00 O ATOM 1186 CB VAL U 3 3.332 3.906 -0.458 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.586 2.569 -0.512 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.320 5.083 -0.420 1.00 0.00 C ATOM 0 H VAL U 3 5.524 5.392 0.039 1.00 0.00 H new ATOM 0 HA VAL U 3 3.565 3.847 1.673 1.00 0.00 H new ATOM 0 HB VAL U 3 3.954 4.006 -1.347 1.00 0.00 H new ATOM 0 HG11 VAL U 3 1.960 2.537 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.306 1.752 -0.545 1.00 0.00 H new ATOM 0 HG13 VAL U 3 1.960 2.465 0.374 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.697 5.056 -1.314 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.690 4.992 0.465 1.00 0.00 H new ATOM 0 HG23 VAL U 3 2.862 6.028 -0.384 1.00 0.00 H new ATOM 1198 N HIS U 4 5.049 1.855 1.736 1.00 0.00 N ATOM 1199 CA HIS U 4 5.956 0.702 1.814 1.00 0.00 C ATOM 1200 C HIS U 4 5.177 -0.597 1.604 1.00 0.00 C ATOM 1201 O HIS U 4 4.168 -0.830 2.269 1.00 0.00 O ATOM 1202 CB HIS U 4 6.659 0.688 3.198 1.00 0.00 C ATOM 1203 CG HIS U 4 7.446 1.977 3.449 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.499 2.597 4.707 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.222 2.772 2.625 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.270 3.692 4.593 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.734 3.849 3.351 1.00 0.00 N ATOM 0 H HIS U 4 4.316 1.869 2.446 1.00 0.00 H new ATOM 0 HA HIS U 4 6.709 0.784 1.030 1.00 0.00 H new ATOM 0 HB2 HIS U 4 5.914 0.558 3.983 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.333 -0.166 3.255 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.405 2.587 1.577 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.488 4.365 5.409 1.00 0.00 H new ATOM 1214 N LEU U 5 5.660 -1.456 0.697 1.00 0.00 N ATOM 1215 CA LEU U 5 5.007 -2.749 0.431 1.00 0.00 C ATOM 1216 C LEU U 5 6.007 -3.885 0.567 1.00 0.00 C ATOM 1217 O LEU U 5 7.022 -3.920 -0.132 1.00 0.00 O ATOM 1218 CB LEU U 5 4.387 -2.757 -0.979 1.00 0.00 C ATOM 1219 CG LEU U 5 3.888 -4.174 -1.350 1.00 0.00 C ATOM 1220 CD1 LEU U 5 2.843 -4.644 -0.333 1.00 0.00 C ATOM 1221 CD2 LEU U 5 3.267 -4.160 -2.765 1.00 0.00 C ATOM 0 H LEU U 5 6.495 -1.283 0.137 1.00 0.00 H new ATOM 0 HA LEU U 5 4.213 -2.891 1.164 1.00 0.00 H new ATOM 0 HB2 LEU U 5 3.557 -2.052 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU U 5 5.126 -2.424 -1.708 1.00 0.00 H new ATOM 0 HG LEU U 5 4.734 -4.861 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.497 -5.642 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU U 5 3.289 -4.670 0.661 1.00 0.00 H new ATOM 0 HD13 LEU U 5 1.999 -3.955 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU U 5 2.918 -5.161 -3.019 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.427 -3.466 -2.787 1.00 0.00 H new ATOM 0 HD23 LEU U 5 4.018 -3.843 -3.489 1.00 0.00 H new ATOM 1233 N GLN U 6 5.700 -4.833 1.451 1.00 0.00 N ATOM 1234 CA GLN U 6 6.562 -5.994 1.656 1.00 0.00 C ATOM 1235 C GLN U 6 5.726 -7.267 1.586 1.00 0.00 C ATOM 1236 O GLN U 6 4.805 -7.468 2.379 1.00 0.00 O ATOM 1237 CB GLN U 6 7.284 -5.876 3.003 1.00 0.00 C ATOM 1238 CG GLN U 6 8.242 -7.055 3.187 1.00 0.00 C ATOM 1239 CD GLN U 6 8.912 -6.980 4.555 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.242 -7.014 5.592 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.213 -6.867 4.614 1.00 0.00 N ATOM 0 H GLN U 6 4.864 -4.820 2.035 1.00 0.00 H new ATOM 0 HA GLN U 6 7.318 -6.036 0.872 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.836 -4.937 3.048 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.557 -5.857 3.815 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.697 -7.994 3.092 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.998 -7.044 2.402 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.762 -6.839 3.755 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.679 -6.806 5.519 1.00 0.00 H new ATOM 1250 N ILE U 7 6.052 -8.112 0.613 1.00 0.00 N ATOM 1251 CA ILE U 7 5.335 -9.368 0.401 1.00 0.00 C ATOM 1252 C ILE U 7 6.276 -10.396 -0.229 1.00 0.00 C ATOM 1253 O ILE U 7 7.456 -10.106 -0.332 1.00 0.00 O ATOM 1254 CB ILE U 7 4.100 -9.131 -0.520 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.282 -7.825 -1.298 1.00 0.00 C ATOM 1256 CG2 ILE U 7 2.823 -9.047 0.308 1.00 0.00 C ATOM 1257 CD1 ILE U 7 3.295 -7.779 -2.464 1.00 0.00 C ATOM 1258 OXT ILE U 7 5.799 -11.456 -0.602 1.00 0.00 O ATOM 0 H ILE U 7 6.813 -7.949 -0.046 1.00 0.00 H new ATOM 0 HA ILE U 7 4.984 -9.747 1.361 1.00 0.00 H new ATOM 0 HB ILE U 7 4.019 -9.968 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE U 7 4.121 -6.972 -0.639 1.00 0.00 H new ATOM 0 HG13 ILE U 7 5.304 -7.752 -1.671 1.00 0.00 H new ATOM 0 HG21 ILE U 7 1.972 -8.881 -0.352 1.00 0.00 H new ATOM 0 HG22 ILE U 7 2.682 -9.979 0.855 1.00 0.00 H new ATOM 0 HG23 ILE U 7 2.901 -8.220 1.014 1.00 0.00 H new ATOM 0 HD11 ILE U 7 3.427 -6.848 -3.016 1.00 0.00 H new ATOM 0 HD12 ILE U 7 3.477 -8.624 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE U 7 2.276 -7.832 -2.081 1.00 0.00 H new TER 1270 ILE U 7 ATOM 1271 N ILE W 1 7.503 11.779 -2.834 1.00 0.00 N ATOM 1272 CA ILE W 1 6.746 10.516 -2.587 1.00 0.00 C ATOM 1273 C ILE W 1 7.670 9.328 -2.791 1.00 0.00 C ATOM 1274 O ILE W 1 8.296 9.197 -3.845 1.00 0.00 O ATOM 1275 CB ILE W 1 5.567 10.429 -3.564 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.586 11.559 -3.250 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.849 9.085 -3.430 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.529 11.641 -4.350 1.00 0.00 C ATOM 0 H1 ILE W 1 7.075 12.553 -2.287 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.493 11.653 -2.541 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.469 12.012 -3.847 1.00 0.00 H new ATOM 0 HA ILE W 1 6.368 10.508 -1.565 1.00 0.00 H new ATOM 0 HB ILE W 1 5.942 10.520 -4.583 1.00 0.00 H new ATOM 0 HG12 ILE W 1 4.109 11.383 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.120 12.506 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE W 1 4.016 9.046 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.547 8.276 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.472 8.974 -2.413 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.831 12.447 -4.124 1.00 0.00 H new ATOM 0 HD12 ILE W 1 4.014 11.838 -5.306 1.00 0.00 H new ATOM 0 HD13 ILE W 1 2.987 10.697 -4.405 1.00 0.00 H new ATOM 1292 N HIS W 2 7.735 8.447 -1.790 1.00 0.00 N ATOM 1293 CA HIS W 2 8.561 7.268 -1.904 1.00 0.00 C ATOM 1294 C HIS W 2 7.673 6.032 -1.932 1.00 0.00 C ATOM 1295 O HIS W 2 6.933 5.776 -0.984 1.00 0.00 O ATOM 1296 CB HIS W 2 9.464 7.218 -0.654 1.00 0.00 C ATOM 1297 CG HIS W 2 10.162 5.892 -0.556 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.450 5.256 0.664 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.665 5.085 -1.526 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.103 4.121 0.376 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.265 3.965 -0.942 1.00 0.00 N ATOM 0 H HIS W 2 7.230 8.535 -0.908 1.00 0.00 H new ATOM 0 HA HIS W 2 9.158 7.297 -2.816 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.201 8.020 -0.699 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.865 7.386 0.241 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.610 5.279 -2.587 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.455 3.419 1.117 1.00 0.00 H new ATOM 1308 N VAL W 3 7.791 5.235 -2.995 1.00 0.00 N ATOM 1309 CA VAL W 3 7.030 3.989 -3.098 1.00 0.00 C ATOM 1310 C VAL W 3 7.995 2.816 -3.183 1.00 0.00 C ATOM 1311 O VAL W 3 8.810 2.773 -4.105 1.00 0.00 O ATOM 1312 CB VAL W 3 6.152 4.022 -4.345 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.343 2.733 -4.421 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.203 5.227 -4.283 1.00 0.00 C ATOM 0 H VAL W 3 8.400 5.427 -3.790 1.00 0.00 H new ATOM 0 HA VAL W 3 6.396 3.877 -2.218 1.00 0.00 H new ATOM 0 HB VAL W 3 6.781 4.113 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL W 3 4.713 2.751 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.021 1.881 -4.473 1.00 0.00 H new ATOM 0 HG13 VAL W 3 4.716 2.644 -3.534 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.579 5.245 -5.176 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.570 5.146 -3.399 1.00 0.00 H new ATOM 0 HG23 VAL W 3 5.786 6.147 -4.229 1.00 0.00 H new ATOM 1324 N HIS W 4 7.903 1.852 -2.261 1.00 0.00 N ATOM 1325 CA HIS W 4 8.774 0.697 -2.312 1.00 0.00 C ATOM 1326 C HIS W 4 7.984 -0.595 -2.485 1.00 0.00 C ATOM 1327 O HIS W 4 7.031 -0.852 -1.746 1.00 0.00 O ATOM 1328 CB HIS W 4 9.640 0.673 -1.037 1.00 0.00 C ATOM 1329 CG HIS W 4 10.878 -0.146 -1.282 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.185 0.362 -1.182 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.009 -1.449 -1.629 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.024 -0.647 -1.469 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.361 -1.775 -1.746 1.00 0.00 N ATOM 0 H HIS W 4 7.241 1.857 -1.485 1.00 0.00 H new ATOM 0 HA HIS W 4 9.424 0.773 -3.184 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.914 1.689 -0.753 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.072 0.252 -0.207 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.189 -2.133 -1.791 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.100 -0.558 -1.475 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.759 -2.682 -1.991 1.00 0.00 H new ATOM 1341 N LEU W 5 8.406 -1.417 -3.456 1.00 0.00 N ATOM 1342 CA LEU W 5 7.754 -2.703 -3.724 1.00 0.00 C ATOM 1343 C LEU W 5 8.764 -3.827 -3.564 1.00 0.00 C ATOM 1344 O LEU W 5 9.660 -3.978 -4.397 1.00 0.00 O ATOM 1345 CB LEU W 5 7.225 -2.734 -5.159 1.00 0.00 C ATOM 1346 CG LEU W 5 6.371 -1.495 -5.438 1.00 0.00 C ATOM 1347 CD1 LEU W 5 5.834 -1.556 -6.883 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.217 -1.410 -4.422 1.00 0.00 C ATOM 0 H LEU W 5 9.196 -1.213 -4.068 1.00 0.00 H new ATOM 0 HA LEU W 5 6.930 -2.829 -3.022 1.00 0.00 H new ATOM 0 HB2 LEU W 5 8.059 -2.775 -5.860 1.00 0.00 H new ATOM 0 HB3 LEU W 5 6.632 -3.635 -5.316 1.00 0.00 H new ATOM 0 HG LEU W 5 6.981 -0.598 -5.331 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.226 -0.674 -7.083 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.671 -1.585 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.226 -2.452 -7.008 1.00 0.00 H new ATOM 0 HD21 LEU W 5 4.615 -0.525 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU W 5 4.594 -2.300 -4.504 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.625 -1.344 -3.413 1.00 0.00 H new ATOM 1360 N GLN W 6 8.610 -4.631 -2.514 1.00 0.00 N ATOM 1361 CA GLN W 6 9.510 -5.759 -2.282 1.00 0.00 C ATOM 1362 C GLN W 6 8.708 -7.043 -2.349 1.00 0.00 C ATOM 1363 O GLN W 6 7.786 -7.255 -1.562 1.00 0.00 O ATOM 1364 CB GLN W 6 10.206 -5.608 -0.923 1.00 0.00 C ATOM 1365 CG GLN W 6 11.178 -6.773 -0.713 1.00 0.00 C ATOM 1366 CD GLN W 6 11.838 -6.680 0.660 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.165 -6.703 1.693 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.138 -6.573 0.724 1.00 0.00 N ATOM 0 H GLN W 6 7.876 -4.524 -1.814 1.00 0.00 H new ATOM 0 HA GLN W 6 10.285 -5.785 -3.048 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.743 -4.661 -0.881 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.465 -5.590 -0.123 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.645 -7.719 -0.803 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.941 -6.762 -1.491 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.691 -6.554 -0.133 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.600 -6.508 1.631 1.00 0.00 H new ATOM 1377 N ILE W 7 9.045 -7.887 -3.321 1.00 0.00 N ATOM 1378 CA ILE W 7 8.328 -9.143 -3.520 1.00 0.00 C ATOM 1379 C ILE W 7 9.286 -10.220 -4.032 1.00 0.00 C ATOM 1380 O ILE W 7 8.804 -11.231 -4.517 1.00 0.00 O ATOM 1381 CB ILE W 7 7.171 -8.931 -4.536 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.742 -7.449 -4.553 1.00 0.00 C ATOM 1383 CG2 ILE W 7 5.972 -9.804 -4.156 1.00 0.00 C ATOM 1384 CD1 ILE W 7 5.595 -7.244 -5.548 1.00 0.00 C ATOM 1385 OXT ILE W 7 10.484 -10.012 -3.937 1.00 0.00 O ATOM 0 H ILE W 7 9.806 -7.725 -3.980 1.00 0.00 H new ATOM 0 HA ILE W 7 7.911 -9.470 -2.568 1.00 0.00 H new ATOM 0 HB ILE W 7 7.524 -9.214 -5.528 1.00 0.00 H new ATOM 0 HG12 ILE W 7 6.428 -7.142 -3.556 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.589 -6.820 -4.828 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.167 -9.648 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE W 7 6.268 -10.853 -4.165 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.626 -9.533 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.300 -6.195 -5.552 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.924 -7.532 -6.546 1.00 0.00 H new ATOM 0 HD13 ILE W 7 4.744 -7.859 -5.254 1.00 0.00 H new TER 1397 ILE W 7 ATOM 1398 N ILE Y 1 9.814 11.940 -7.183 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.151 10.659 -6.803 1.00 0.00 C ATOM 1400 C ILE Y 1 10.141 9.518 -6.979 1.00 0.00 C ATOM 1401 O ILE Y 1 10.668 9.320 -8.074 1.00 0.00 O ATOM 1402 CB ILE Y 1 7.938 10.417 -7.714 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 6.957 11.584 -7.565 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.239 9.114 -7.315 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 5.851 11.462 -8.613 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.337 12.732 -6.707 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.813 11.913 -6.894 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.755 12.069 -8.213 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.822 10.712 -5.765 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.272 10.342 -8.749 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.525 11.583 -6.564 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.482 12.531 -7.685 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.380 8.948 -7.965 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 7.936 8.282 -7.415 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 6.903 9.183 -6.280 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.154 12.293 -8.505 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.291 11.484 -9.610 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.318 10.522 -8.472 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.372 8.741 -5.918 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.284 7.602 -6.022 1.00 0.00 C ATOM 1421 C HIS Y 2 10.463 6.320 -5.993 1.00 0.00 C ATOM 1422 O HIS Y 2 9.724 6.069 -5.041 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.261 7.602 -4.825 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.495 8.412 -5.137 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.762 7.847 -5.147 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.674 9.742 -5.429 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.639 8.827 -5.434 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.029 10.002 -5.616 1.00 0.00 N ATOM 0 H HIS Y 2 9.951 8.875 -4.999 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.853 7.670 -6.949 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.765 8.012 -3.945 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.545 6.578 -4.582 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.884 10.475 -5.502 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.707 8.681 -5.508 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.463 10.897 -5.843 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.627 5.496 -7.025 1.00 0.00 N ATOM 1437 CA VAL Y 3 9.931 4.215 -7.101 1.00 0.00 C ATOM 1438 C VAL Y 3 10.956 3.084 -7.061 1.00 0.00 C ATOM 1439 O VAL Y 3 11.883 3.066 -7.870 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.107 4.159 -8.392 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.388 2.808 -8.476 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.075 5.313 -8.408 1.00 0.00 C ATOM 0 H VAL Y 3 11.236 5.693 -7.820 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.254 4.104 -6.254 1.00 0.00 H new ATOM 0 HB VAL Y 3 9.768 4.269 -9.251 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 7.801 2.765 -9.393 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.124 2.004 -8.478 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 7.727 2.693 -7.617 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.493 5.268 -9.328 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.408 5.217 -7.551 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.597 6.269 -8.356 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.796 2.139 -6.130 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.738 1.011 -6.023 1.00 0.00 C ATOM 1454 C HIS Y 4 11.012 -0.315 -6.269 1.00 0.00 C ATOM 1455 O HIS Y 4 9.980 -0.582 -5.655 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.392 0.999 -4.614 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.132 2.303 -4.320 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.120 2.903 -3.052 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 13.917 3.124 -5.104 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.869 4.021 -3.125 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.377 4.203 -4.349 1.00 0.00 N ATOM 0 H HIS Y 4 10.038 2.127 -5.448 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.514 1.132 -6.779 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.623 0.839 -3.858 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.087 0.163 -4.543 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.142 2.956 -6.147 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.039 4.690 -2.294 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.566 -1.152 -7.155 1.00 0.00 N ATOM 1469 CA LEU Y 5 10.973 -2.465 -7.461 1.00 0.00 C ATOM 1470 C LEU Y 5 11.999 -3.573 -7.282 1.00 0.00 C ATOM 1471 O LEU Y 5 13.051 -3.566 -7.921 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.426 -2.476 -8.899 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.976 -3.895 -9.301 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 8.916 -4.412 -8.322 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 9.388 -3.862 -10.725 1.00 0.00 C ATOM 0 H LEU Y 5 12.421 -0.947 -7.672 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.151 -2.642 -6.767 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 9.586 -1.786 -8.979 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 11.194 -2.124 -9.588 1.00 0.00 H new ATOM 0 HG LEU Y 5 10.838 -4.562 -9.274 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.607 -5.415 -8.617 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 9.334 -4.442 -7.316 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 8.052 -3.747 -8.336 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 9.069 -4.865 -11.010 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.531 -3.188 -10.749 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 10.147 -3.510 -11.424 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.674 -4.543 -6.426 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.562 -5.679 -6.187 1.00 0.00 C ATOM 1489 C GLN Y 6 11.768 -6.977 -6.292 1.00 0.00 C ATOM 1490 O GLN Y 6 10.849 -7.227 -5.511 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.220 -5.542 -4.805 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.221 -6.682 -4.582 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.821 -6.595 -3.176 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.105 -6.663 -2.178 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.110 -6.440 -3.042 1.00 0.00 N ATOM 0 H GLN Y 6 10.807 -4.564 -5.890 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.351 -5.696 -6.939 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.729 -4.581 -4.730 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.457 -5.560 -4.027 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.723 -7.643 -4.714 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 15.015 -6.629 -5.327 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.705 -6.383 -3.868 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.522 -6.376 -2.111 1.00 0.00 H new ATOM 1504 N ILE Y 7 12.131 -7.790 -7.280 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.460 -9.069 -7.527 1.00 0.00 C ATOM 1506 C ILE Y 7 12.461 -10.068 -8.112 1.00 0.00 C ATOM 1507 O ILE Y 7 13.635 -9.740 -8.163 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.265 -8.872 -8.509 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.467 -7.587 -9.318 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 8.948 -8.784 -7.739 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.513 -7.579 -10.516 1.00 0.00 C ATOM 1512 OXT ILE Y 7 12.034 -11.140 -8.504 1.00 0.00 O ATOM 0 H ILE Y 7 12.891 -7.586 -7.929 1.00 0.00 H new ATOM 0 HA ILE Y 7 11.074 -9.456 -6.584 1.00 0.00 H new ATOM 0 HB ILE Y 7 10.224 -9.728 -9.182 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 10.284 -6.716 -8.688 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 11.499 -7.520 -9.662 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.125 -8.647 -8.440 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 8.794 -9.704 -7.175 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 8.984 -7.939 -7.052 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 9.658 -6.664 -11.090 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 9.718 -8.442 -11.150 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 8.483 -7.625 -10.161 1.00 0.00 H new TER 1524 ILE Y 7 HETATM 1525 ZN ZN A 101 -14.030 -1.896 2.824 1.00 0.00 ZN HETATM 1526 ZN ZN C 101 -11.176 -5.677 -1.091 1.00 0.00 ZN HETATM 1527 ZN ZN E 101 -8.246 -2.137 -4.809 1.00 0.00 ZN HETATM 1528 ZN ZN G 101 -5.289 -5.700 -8.732 1.00 0.00 ZN HETATM 1529 ZN ZN I 101 -2.425 -2.101 -12.496 1.00 0.00 ZN HETATM 1530 ZN ZN K 101 0.408 -5.499 -16.292 1.00 0.00 ZN HETATM 1531 ZN ZN O 101 0.972 1.746 14.106 1.00 0.00 ZN HETATM 1532 ZN ZN Q 101 3.963 5.528 10.330 1.00 0.00 ZN HETATM 1533 ZN ZN S 101 6.751 2.058 6.414 1.00 0.00 ZN HETATM 1534 ZN ZN U 101 9.720 5.651 2.619 1.00 0.00 ZN HETATM 1535 ZN ZN W 101 12.464 2.262 -1.020 1.00 0.00 ZN HETATM 1536 ZN ZN Y 101 15.235 5.811 -5.014 1.00 0.00 ZN