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= 0.969 K(o=3.5,f=1.7) USER MOD Set 1.2: Q 6 GLN : amide:sc= 1.11 K(o=3.5,f=-3!) USER MOD Set 1.3: S 6 GLN : amide:sc= 0.859 K(o=3.5,f=-6.3!) USER MOD Set 1.4: U 6 GLN : amide:sc= 0.374 K(o=3.5,f=-5!) USER MOD Set 1.5: W 6 GLN : amide:sc= 0.358 K(o=3.5,f=-7.1!) USER MOD Set 1.6: Y 6 GLN : amide:sc= -0.186 K(o=3.5,f=-4.7!) USER MOD Set 2.1: A 6 GLN : amide:sc= 0.54 K(o=2.3,f=1.3) USER MOD Set 2.2: C 6 GLN : amide:sc= 0.665 K(o=2.3,f=-2.4!) USER MOD Set 2.3: E 6 GLN : amide:sc= 0.749 K(o=2.3,f=-5.5!) USER MOD Set 2.4: G 6 GLN : amide:sc= 0.295 K(o=2.3,f=-5.8!) USER MOD Set 2.5: I 6 GLN : amide:sc= 0.421 K(o=2.3,f=-6.9!) USER MOD Set 2.6: K 6 GLN : amide:sc= -0.323 K(o=2.3,f=-5.5!) USER MOD Single : A 1 ILE N :NH3+ 167:sc= -0.38 (180deg=-0.984) USER MOD Single : C 1 ILE N :NH3+ -153:sc= -0.195 (180deg=-1.07) USER MOD Single : E 1 ILE N :NH3+ 165:sc= -0.475 (180deg=-0.829) USER MOD Single : G 1 ILE N :NH3+ -152:sc= -0.195 (180deg=-1.16) USER MOD Single : I 1 ILE N :NH3+ 167:sc= -0.439 (180deg=-0.781) USER MOD Single : K 1 ILE N :NH3+ -155:sc= -0.147 (180deg=-1.05) USER MOD Single : O 1 ILE N :NH3+ 166:sc= -0.295 (180deg=-0.694) USER MOD Single : Q 1 ILE N :NH3+ -151:sc= -0.241 (180deg=-1.11) USER MOD Single : S 1 ILE N :NH3+ 168:sc= -0.38 (180deg=-0.814) USER MOD Single : U 1 ILE N :NH3+ -156:sc= -0.185 (180deg=-1.05) USER MOD Single : W 1 ILE N :NH3+ 169:sc= -0.406 (180deg=-0.827) USER MOD Single : Y 1 ILE N :NH3+ -153:sc= -0.154 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.037 -11.469 7.229 1.00 0.00 N ATOM 2 CA ILE A 1 -11.537 -10.212 7.855 1.00 0.00 C ATOM 3 C ILE A 1 -11.416 -9.053 6.865 1.00 0.00 C ATOM 4 O ILE A 1 -10.484 -8.990 6.053 1.00 0.00 O ATOM 5 CB ILE A 1 -10.732 -9.925 9.144 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.790 -8.432 9.499 1.00 0.00 C ATOM 7 CG2 ILE A 1 -9.278 -10.341 8.948 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.293 -8.220 10.929 1.00 0.00 C ATOM 0 H1 ILE A 1 -10.914 -12.197 7.962 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.723 -11.802 6.522 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.124 -11.287 6.766 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.589 -10.325 8.118 1.00 0.00 H new ATOM 0 HB ILE A 1 -11.173 -10.498 9.959 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.177 -7.859 8.803 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -11.812 -8.065 9.401 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -8.715 -10.137 9.859 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -9.231 -11.407 8.724 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -8.847 -9.777 8.121 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.336 -7.159 11.176 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -10.924 -8.779 11.620 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -9.264 -8.570 11.012 1.00 0.00 H new ATOM 22 N HIS A 2 -12.370 -8.125 6.957 1.00 0.00 N ATOM 23 CA HIS A 2 -12.382 -6.961 6.116 1.00 0.00 C ATOM 24 C HIS A 2 -12.150 -5.730 6.989 1.00 0.00 C ATOM 25 O HIS A 2 -12.916 -5.478 7.919 1.00 0.00 O ATOM 26 CB HIS A 2 -13.784 -6.918 5.471 1.00 0.00 C ATOM 27 CG HIS A 2 -14.107 -5.560 4.922 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.410 -5.046 4.905 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.326 -4.623 4.323 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.362 -3.848 4.305 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.124 -3.536 3.926 1.00 0.00 N ATOM 0 H HIS A 2 -13.146 -8.172 7.618 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.607 -6.985 5.350 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.838 -7.655 4.670 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.533 -7.197 6.212 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.243 -5.500 5.280 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.259 -4.701 4.175 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.222 -3.214 4.148 1.00 0.00 H new ATOM 38 N VAL A 3 -11.117 -4.945 6.672 1.00 0.00 N ATOM 39 CA VAL A 3 -10.836 -3.722 7.429 1.00 0.00 C ATOM 40 C VAL A 3 -10.964 -2.515 6.519 1.00 0.00 C ATOM 41 O VAL A 3 -10.259 -2.420 5.515 1.00 0.00 O ATOM 42 CB VAL A 3 -9.416 -3.768 8.005 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.145 -2.480 8.783 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.269 -4.975 8.943 1.00 0.00 C ATOM 0 H VAL A 3 -10.469 -5.131 5.907 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.553 -3.646 8.246 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.700 -3.863 7.189 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.136 -2.509 9.194 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.240 -1.624 8.115 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.866 -2.387 9.596 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.257 -5.000 9.348 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.985 -4.890 9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.460 -5.893 8.387 1.00 0.00 H new ATOM 54 N HIS A 4 -11.843 -1.579 6.878 1.00 0.00 N ATOM 55 CA HIS A 4 -12.021 -0.379 6.103 1.00 0.00 C ATOM 56 C HIS A 4 -11.677 0.851 6.929 1.00 0.00 C ATOM 57 O HIS A 4 -12.150 0.998 8.056 1.00 0.00 O ATOM 58 CB HIS A 4 -13.471 -0.339 5.596 1.00 0.00 C ATOM 59 CG HIS A 4 -13.570 0.551 4.387 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.910 0.092 3.102 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.384 1.886 4.270 1.00 0.00 C ATOM 62 CE1 HIS A 4 -13.914 1.159 2.288 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.604 2.281 2.949 1.00 0.00 N ATOM 0 H HIS A 4 -12.438 -1.641 7.704 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.345 -0.380 5.248 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.805 -1.346 5.345 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.130 0.028 6.383 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.107 2.547 5.078 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.139 1.118 1.233 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.542 3.225 2.568 1.00 0.00 H new ATOM 71 N LEU A 5 -10.862 1.742 6.365 1.00 0.00 N ATOM 72 CA LEU A 5 -10.477 2.966 7.067 1.00 0.00 C ATOM 73 C LEU A 5 -11.012 4.177 6.322 1.00 0.00 C ATOM 74 O LEU A 5 -10.544 4.492 5.230 1.00 0.00 O ATOM 75 CB LEU A 5 -8.955 3.059 7.146 1.00 0.00 C ATOM 76 CG LEU A 5 -8.390 1.758 7.727 1.00 0.00 C ATOM 77 CD1 LEU A 5 -6.855 1.845 7.801 1.00 0.00 C ATOM 78 CD2 LEU A 5 -8.975 1.520 9.130 1.00 0.00 C ATOM 0 H LEU A 5 -10.459 1.641 5.433 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.895 2.943 8.073 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.539 3.237 6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.664 3.904 7.770 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.666 0.924 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.458 0.918 8.215 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.451 1.999 6.801 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.568 2.680 8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.571 0.594 9.540 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.708 2.352 9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.060 1.445 9.064 1.00 0.00 H new ATOM 90 N GLN A 6 -11.978 4.867 6.923 1.00 0.00 N ATOM 91 CA GLN A 6 -12.550 6.065 6.305 1.00 0.00 C ATOM 92 C GLN A 6 -12.471 7.213 7.296 1.00 0.00 C ATOM 93 O GLN A 6 -13.223 7.258 8.268 1.00 0.00 O ATOM 94 CB GLN A 6 -14.001 5.809 5.895 1.00 0.00 C ATOM 95 CG GLN A 6 -14.515 7.008 5.100 1.00 0.00 C ATOM 96 CD GLN A 6 -15.985 6.812 4.753 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.836 6.763 5.642 1.00 0.00 O ATOM 98 NE2 GLN A 6 -16.333 6.676 3.502 1.00 0.00 N ATOM 0 H GLN A 6 -12.379 4.622 7.828 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.987 6.320 5.407 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.067 4.903 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.619 5.651 6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.389 7.921 5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.930 7.128 4.188 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.625 6.717 2.768 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.312 6.529 3.258 1.00 0.00 H new ATOM 107 N ILE A 7 -11.538 8.137 7.052 1.00 0.00 N ATOM 108 CA ILE A 7 -11.353 9.285 7.950 1.00 0.00 C ATOM 109 C ILE A 7 -10.936 10.530 7.172 1.00 0.00 C ATOM 110 O ILE A 7 -10.567 11.503 7.806 1.00 0.00 O ATOM 111 CB ILE A 7 -10.300 8.945 9.027 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.865 8.994 8.432 1.00 0.00 C ATOM 113 CG2 ILE A 7 -10.572 7.544 9.576 1.00 0.00 C ATOM 114 CD1 ILE A 7 -8.248 10.402 8.538 1.00 0.00 C ATOM 115 OXT ILE A 7 -11.003 10.493 5.955 1.00 0.00 O ATOM 0 H ILE A 7 -10.906 8.116 6.252 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.305 9.498 8.436 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.370 9.682 9.827 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.230 8.279 8.955 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.895 8.688 7.386 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.830 7.301 10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.568 7.513 10.018 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.512 6.818 8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.245 10.393 8.111 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -8.868 11.113 7.992 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.193 10.697 9.586 1.00 0.00 H new TER 127 ILE A 7 ATOM 128 N ILE C 1 -8.154 -11.809 3.358 1.00 0.00 N ATOM 129 CA ILE C 1 -8.169 -10.535 4.129 1.00 0.00 C ATOM 130 C ILE C 1 -8.226 -9.361 3.158 1.00 0.00 C ATOM 131 O ILE C 1 -7.346 -9.207 2.295 1.00 0.00 O ATOM 132 CB ILE C 1 -6.891 -10.436 4.984 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.858 -11.608 5.971 1.00 0.00 C ATOM 134 CG2 ILE C 1 -6.892 -9.114 5.759 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.481 -11.689 6.634 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.564 -12.570 3.937 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.714 -11.695 2.489 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.174 -12.053 3.109 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.042 -10.512 4.782 1.00 0.00 H new ATOM 0 HB ILE C 1 -6.014 -10.473 4.338 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.630 -11.478 6.730 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.076 -12.540 5.450 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -5.987 -9.046 6.363 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -6.923 -8.281 5.057 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -7.766 -9.074 6.409 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.463 -12.524 7.335 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.718 -11.840 5.870 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.280 -10.761 7.170 1.00 0.00 H new ATOM 149 N HIS C 2 -9.247 -8.513 3.298 1.00 0.00 N ATOM 150 CA HIS C 2 -9.345 -7.333 2.432 1.00 0.00 C ATOM 151 C HIS C 2 -9.117 -6.092 3.282 1.00 0.00 C ATOM 152 O HIS C 2 -9.861 -5.844 4.232 1.00 0.00 O ATOM 153 CB HIS C 2 -10.746 -7.258 1.784 1.00 0.00 C ATOM 154 CG HIS C 2 -10.789 -8.064 0.506 1.00 0.00 C ATOM 155 ND1 HIS C 2 -10.992 -7.477 -0.740 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.674 -9.412 0.267 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.992 -8.464 -1.655 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.802 -9.661 -1.094 1.00 0.00 N ATOM 0 H HIS C 2 -9.998 -8.614 3.981 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.598 -7.398 1.641 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.495 -7.633 2.481 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -10.999 -6.219 1.573 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.509 -10.165 1.023 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.129 -8.307 -2.715 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.760 -10.565 -1.564 1.00 0.00 H new ATOM 166 N VAL C 3 -8.125 -5.289 2.912 1.00 0.00 N ATOM 167 CA VAL C 3 -7.855 -4.043 3.624 1.00 0.00 C ATOM 168 C VAL C 3 -8.073 -2.860 2.685 1.00 0.00 C ATOM 169 O VAL C 3 -7.470 -2.795 1.604 1.00 0.00 O ATOM 170 CB VAL C 3 -6.427 -4.045 4.165 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.190 -2.727 4.907 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.220 -5.243 5.130 1.00 0.00 C ATOM 0 H VAL C 3 -7.498 -5.476 2.129 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.539 -3.954 4.468 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.719 -4.144 3.342 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.174 -2.709 5.301 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.327 -1.893 4.219 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.900 -2.640 5.729 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.198 -5.233 5.509 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -6.917 -5.163 5.964 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.400 -6.176 4.596 1.00 0.00 H new ATOM 182 N HIS C 4 -8.916 -1.918 3.098 1.00 0.00 N ATOM 183 CA HIS C 4 -9.190 -0.726 2.283 1.00 0.00 C ATOM 184 C HIS C 4 -8.755 0.523 3.052 1.00 0.00 C ATOM 185 O HIS C 4 -9.115 0.683 4.220 1.00 0.00 O ATOM 186 CB HIS C 4 -10.705 -0.663 1.949 1.00 0.00 C ATOM 187 CG HIS C 4 -11.181 -1.935 1.233 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.413 -2.542 1.521 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.613 -2.724 0.247 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.528 -3.628 0.736 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.465 -3.790 -0.058 1.00 0.00 N ATOM 0 H HIS C 4 -9.420 -1.951 3.984 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.630 -0.777 1.349 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.275 -0.528 2.868 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -10.903 0.205 1.320 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.655 -2.543 -0.217 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.380 -4.292 0.746 1.00 0.00 H new ATOM 198 N LEU C 5 -7.979 1.401 2.409 1.00 0.00 N ATOM 199 CA LEU C 5 -7.500 2.626 3.072 1.00 0.00 C ATOM 200 C LEU C 5 -8.085 3.850 2.367 1.00 0.00 C ATOM 201 O LEU C 5 -7.808 4.080 1.190 1.00 0.00 O ATOM 202 CB LEU C 5 -5.968 2.651 2.994 1.00 0.00 C ATOM 203 CG LEU C 5 -5.380 3.454 4.142 1.00 0.00 C ATOM 204 CD1 LEU C 5 -3.862 3.509 3.985 1.00 0.00 C ATOM 205 CD2 LEU C 5 -5.933 4.868 4.126 1.00 0.00 C ATOM 0 H LEU C 5 -7.670 1.293 1.443 1.00 0.00 H new ATOM 0 HA LEU C 5 -7.815 2.642 4.115 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.582 1.632 3.022 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.655 3.084 2.044 1.00 0.00 H new ATOM 0 HG LEU C 5 -5.644 2.977 5.086 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -3.432 4.084 4.805 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -3.458 2.497 4.000 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -3.611 3.986 3.037 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.505 5.435 4.953 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -5.674 5.349 3.183 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -7.017 4.836 4.231 1.00 0.00 H new ATOM 217 N GLN C 6 -8.891 4.634 3.086 1.00 0.00 N ATOM 218 CA GLN C 6 -9.501 5.831 2.505 1.00 0.00 C ATOM 219 C GLN C 6 -9.444 6.999 3.491 1.00 0.00 C ATOM 220 O GLN C 6 -9.984 6.929 4.598 1.00 0.00 O ATOM 221 CB GLN C 6 -10.955 5.535 2.120 1.00 0.00 C ATOM 222 CG GLN C 6 -11.552 6.737 1.377 1.00 0.00 C ATOM 223 CD GLN C 6 -13.027 6.488 1.070 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.834 6.318 1.982 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.424 6.450 -0.173 1.00 0.00 N ATOM 0 H GLN C 6 -9.135 4.464 4.062 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.942 6.110 1.612 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.000 4.647 1.489 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.541 5.321 3.014 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.446 7.637 1.982 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -11.004 6.910 0.451 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.752 6.591 -0.927 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.406 6.279 -0.390 1.00 0.00 H new ATOM 234 N ILE C 7 -8.788 8.086 3.088 1.00 0.00 N ATOM 235 CA ILE C 7 -8.681 9.260 3.968 1.00 0.00 C ATOM 236 C ILE C 7 -8.809 10.553 3.163 1.00 0.00 C ATOM 237 O ILE C 7 -8.555 10.513 1.970 1.00 0.00 O ATOM 238 CB ILE C 7 -7.341 9.211 4.727 1.00 0.00 C ATOM 239 CG1 ILE C 7 -6.226 9.741 3.813 1.00 0.00 C ATOM 240 CG2 ILE C 7 -7.055 7.765 5.120 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.854 9.353 4.356 1.00 0.00 C ATOM 242 OXT ILE C 7 -9.149 11.563 3.755 1.00 0.00 O ATOM 0 H ILE C 7 -8.331 8.184 2.181 1.00 0.00 H new ATOM 0 HA ILE C 7 -9.497 9.242 4.691 1.00 0.00 H new ATOM 0 HB ILE C 7 -7.388 9.828 5.624 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.352 9.340 2.807 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.298 10.826 3.734 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -6.109 7.715 5.659 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -7.857 7.397 5.760 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.995 7.149 4.223 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -4.078 9.738 3.694 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -4.724 9.776 5.352 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -4.778 8.267 4.411 1.00 0.00 H new TER 254 ILE C 7 ATOM 255 N ILE E 1 -4.891 -11.630 -0.457 1.00 0.00 N ATOM 256 CA ILE E 1 -5.389 -10.386 0.192 1.00 0.00 C ATOM 257 C ILE E 1 -5.405 -9.243 -0.817 1.00 0.00 C ATOM 258 O ILE E 1 -4.565 -9.170 -1.726 1.00 0.00 O ATOM 259 CB ILE E 1 -4.486 -10.032 1.396 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.480 -8.515 1.652 1.00 0.00 C ATOM 261 CG2 ILE E 1 -3.057 -10.487 1.121 1.00 0.00 C ATOM 262 CD1 ILE E 1 -3.888 -8.236 3.024 1.00 0.00 C ATOM 0 H1 ILE E 1 -4.642 -12.327 0.274 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.633 -12.022 -1.071 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.050 -11.411 -1.028 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.406 -10.546 0.549 1.00 0.00 H new ATOM 0 HB ILE E 1 -4.882 -10.541 2.275 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -3.898 -8.008 0.883 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -5.495 -8.122 1.595 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -2.425 -10.235 1.972 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -3.042 -11.566 0.965 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -2.681 -9.986 0.229 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -3.883 -7.161 3.207 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -4.489 -8.731 3.787 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.867 -8.615 3.064 1.00 0.00 H new ATOM 276 N HIS E 2 -6.354 -8.329 -0.617 1.00 0.00 N ATOM 277 CA HIS E 2 -6.463 -7.168 -1.465 1.00 0.00 C ATOM 278 C HIS E 2 -6.163 -5.922 -0.636 1.00 0.00 C ATOM 279 O HIS E 2 -6.850 -5.660 0.352 1.00 0.00 O ATOM 280 CB HIS E 2 -7.913 -7.125 -1.988 1.00 0.00 C ATOM 281 CG HIS E 2 -8.242 -5.777 -2.568 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.507 -5.177 -2.450 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.493 -4.920 -3.316 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.467 -4.020 -3.121 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.272 -3.803 -3.669 1.00 0.00 N ATOM 0 H HIS E 2 -7.051 -8.380 0.126 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.761 -7.209 -2.298 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.051 -7.894 -2.748 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.603 -7.352 -1.175 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.461 -5.074 -3.595 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.304 -3.343 -3.208 1.00 0.00 H new ATOM 292 N VAL E 3 -5.175 -5.128 -1.062 1.00 0.00 N ATOM 293 CA VAL E 3 -4.852 -3.880 -0.361 1.00 0.00 C ATOM 294 C VAL E 3 -5.076 -2.703 -1.287 1.00 0.00 C ATOM 295 O VAL E 3 -4.445 -2.626 -2.343 1.00 0.00 O ATOM 296 CB VAL E 3 -3.390 -3.881 0.089 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.080 -2.562 0.799 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.138 -5.053 1.045 1.00 0.00 C ATOM 0 H VAL E 3 -4.593 -5.323 -1.876 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.498 -3.799 0.513 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.744 -3.989 -0.782 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.039 -2.558 1.122 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.251 -1.731 0.114 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.729 -2.455 1.668 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.095 -5.047 1.361 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.782 -4.955 1.919 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.357 -5.991 0.536 1.00 0.00 H new ATOM 308 N HIS E 4 -5.941 -1.768 -0.891 1.00 0.00 N ATOM 309 CA HIS E 4 -6.186 -0.596 -1.692 1.00 0.00 C ATOM 310 C HIS E 4 -5.807 0.668 -0.938 1.00 0.00 C ATOM 311 O HIS E 4 -6.208 0.849 0.211 1.00 0.00 O ATOM 312 CB HIS E 4 -7.664 -0.597 -2.116 1.00 0.00 C ATOM 313 CG HIS E 4 -7.851 0.275 -3.324 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.214 -0.209 -4.595 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.745 1.614 -3.450 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.311 0.854 -5.410 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.039 1.992 -4.762 1.00 0.00 N ATOM 0 H HIS E 4 -6.475 -1.810 -0.023 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.562 -0.616 -2.586 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -7.987 -1.614 -2.338 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.286 -0.237 -1.297 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.473 2.292 -2.655 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.575 0.797 -6.456 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -8.045 2.937 -5.145 1.00 0.00 H new ATOM 325 N LEU E 5 -5.040 1.551 -1.588 1.00 0.00 N ATOM 326 CA LEU E 5 -4.629 2.802 -0.950 1.00 0.00 C ATOM 327 C LEU E 5 -5.237 3.991 -1.673 1.00 0.00 C ATOM 328 O LEU E 5 -4.885 4.272 -2.816 1.00 0.00 O ATOM 329 CB LEU E 5 -3.110 2.930 -0.970 1.00 0.00 C ATOM 330 CG LEU E 5 -2.476 1.645 -0.424 1.00 0.00 C ATOM 331 CD1 LEU E 5 -0.939 1.765 -0.441 1.00 0.00 C ATOM 332 CD2 LEU E 5 -2.975 1.399 1.006 1.00 0.00 C ATOM 0 H LEU E 5 -4.697 1.424 -2.540 1.00 0.00 H new ATOM 0 HA LEU E 5 -4.980 2.789 0.082 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.764 3.114 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.799 3.784 -0.368 1.00 0.00 H new ATOM 0 HG LEU E 5 -2.764 0.803 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -0.498 0.847 -0.051 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -0.598 1.926 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -0.633 2.607 0.180 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -2.526 0.486 1.396 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -2.694 2.241 1.639 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -4.060 1.295 1.000 1.00 0.00 H new ATOM 344 N GLN E 6 -6.139 4.705 -0.994 1.00 0.00 N ATOM 345 CA GLN E 6 -6.773 5.886 -1.585 1.00 0.00 C ATOM 346 C GLN E 6 -6.661 7.058 -0.615 1.00 0.00 C ATOM 347 O GLN E 6 -7.353 7.121 0.408 1.00 0.00 O ATOM 348 CB GLN E 6 -8.238 5.590 -1.907 1.00 0.00 C ATOM 349 CG GLN E 6 -8.824 6.763 -2.690 1.00 0.00 C ATOM 350 CD GLN E 6 -10.303 6.530 -2.953 1.00 0.00 C ATOM 351 OE1 GLN E 6 -11.105 6.481 -2.019 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.709 6.360 -4.183 1.00 0.00 N ATOM 0 H GLN E 6 -6.444 4.489 -0.045 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.266 6.146 -2.514 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.317 4.672 -2.489 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.801 5.433 -0.987 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.688 7.688 -2.130 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -8.293 6.881 -3.635 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -10.040 6.402 -4.951 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.695 6.185 -4.375 1.00 0.00 H new ATOM 361 N ILE E 7 -5.762 7.985 -0.936 1.00 0.00 N ATOM 362 CA ILE E 7 -5.536 9.150 -0.077 1.00 0.00 C ATOM 363 C ILE E 7 -5.209 10.387 -0.911 1.00 0.00 C ATOM 364 O ILE E 7 -4.792 11.374 -0.332 1.00 0.00 O ATOM 365 CB ILE E 7 -4.389 8.835 0.905 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.008 8.956 0.202 1.00 0.00 C ATOM 367 CG2 ILE E 7 -4.562 7.410 1.439 1.00 0.00 C ATOM 368 CD1 ILE E 7 -2.414 10.372 0.354 1.00 0.00 C ATOM 369 OXT ILE E 7 -5.389 10.327 -2.115 1.00 0.00 O ATOM 0 H ILE E 7 -5.182 7.956 -1.775 1.00 0.00 H new ATOM 0 HA ILE E 7 -6.445 9.365 0.484 1.00 0.00 H new ATOM 0 HB ILE E 7 -4.424 9.553 1.725 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -2.319 8.225 0.625 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.116 8.718 -0.856 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -3.754 7.181 2.134 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -5.519 7.329 1.955 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -4.537 6.705 0.608 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.449 10.418 -0.150 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -3.091 11.100 -0.092 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -2.282 10.600 1.412 1.00 0.00 H new TER 381 ILE E 7 ATOM 382 N ILE G 1 -1.980 -11.849 -4.351 1.00 0.00 N ATOM 383 CA ILE G 1 -1.995 -10.570 -3.589 1.00 0.00 C ATOM 384 C ILE G 1 -2.094 -9.407 -4.570 1.00 0.00 C ATOM 385 O ILE G 1 -1.224 -9.234 -5.440 1.00 0.00 O ATOM 386 CB ILE G 1 -0.692 -10.447 -2.778 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.598 -11.622 -1.796 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.692 -9.125 -2.001 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.800 -11.671 -1.176 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.379 -12.608 -3.763 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.549 -11.745 -5.215 1.00 0.00 H new ATOM 0 H3 ILE G 1 -1.001 -12.089 -4.608 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.848 -10.552 -2.911 1.00 0.00 H new ATOM 0 HB ILE G 1 0.163 -10.465 -3.454 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.349 -11.514 -1.013 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.809 -12.558 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE G 1 0.231 -9.040 -1.428 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.763 -8.292 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.544 -9.102 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.860 -12.507 -0.480 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.543 -11.800 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.994 -10.740 -0.643 1.00 0.00 H new ATOM 403 N HIS G 2 -3.142 -8.587 -4.434 1.00 0.00 N ATOM 404 CA HIS G 2 -3.275 -7.422 -5.315 1.00 0.00 C ATOM 405 C HIS G 2 -3.069 -6.163 -4.486 1.00 0.00 C ATOM 406 O HIS G 2 -3.808 -5.920 -3.528 1.00 0.00 O ATOM 407 CB HIS G 2 -4.682 -7.390 -5.957 1.00 0.00 C ATOM 408 CG HIS G 2 -4.708 -8.204 -7.230 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.943 -7.632 -8.476 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.552 -9.549 -7.461 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.920 -8.624 -9.385 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.685 -9.811 -8.820 1.00 0.00 N ATOM 0 H HIS G 2 -3.887 -8.701 -3.747 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.531 -7.481 -6.110 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.417 -7.782 -5.254 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -4.965 -6.360 -6.173 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.356 -10.291 -6.701 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.073 -8.478 -10.444 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.618 -10.716 -9.286 1.00 0.00 H new ATOM 420 N VAL G 3 -2.102 -5.340 -4.884 1.00 0.00 N ATOM 421 CA VAL G 3 -1.849 -4.078 -4.195 1.00 0.00 C ATOM 422 C VAL G 3 -2.118 -2.915 -5.150 1.00 0.00 C ATOM 423 O VAL G 3 -1.540 -2.857 -6.245 1.00 0.00 O ATOM 424 CB VAL G 3 -0.407 -4.033 -3.686 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.186 -2.704 -2.966 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.149 -5.210 -2.711 1.00 0.00 C ATOM 0 H VAL G 3 -1.484 -5.523 -5.675 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.516 -3.995 -3.337 1.00 0.00 H new ATOM 0 HB VAL G 3 0.283 -4.122 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.838 -2.656 -2.597 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.361 -1.881 -3.659 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.878 -2.625 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.880 -5.168 -2.355 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.830 -5.136 -1.863 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.316 -6.155 -3.229 1.00 0.00 H new ATOM 436 N HIS G 4 -2.977 -1.986 -4.739 1.00 0.00 N ATOM 437 CA HIS G 4 -3.298 -0.819 -5.575 1.00 0.00 C ATOM 438 C HIS G 4 -2.875 0.458 -4.849 1.00 0.00 C ATOM 439 O HIS G 4 -3.215 0.641 -3.677 1.00 0.00 O ATOM 440 CB HIS G 4 -4.821 -0.801 -5.879 1.00 0.00 C ATOM 441 CG HIS G 4 -5.268 -2.089 -6.584 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.481 -2.733 -6.289 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.679 -2.868 -7.563 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.562 -3.828 -7.065 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.496 -3.961 -7.857 1.00 0.00 N ATOM 0 H HIS G 4 -3.462 -2.012 -3.842 1.00 0.00 H new ATOM 0 HA HIS G 4 -2.757 -0.879 -6.519 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.377 -0.682 -4.949 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.058 0.059 -6.505 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.728 -2.661 -8.031 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.392 -4.519 -7.049 1.00 0.00 H new ATOM 452 N LEU G 5 -2.130 1.338 -5.532 1.00 0.00 N ATOM 453 CA LEU G 5 -1.667 2.589 -4.909 1.00 0.00 C ATOM 454 C LEU G 5 -2.303 3.788 -5.617 1.00 0.00 C ATOM 455 O LEU G 5 -2.065 4.006 -6.804 1.00 0.00 O ATOM 456 CB LEU G 5 -0.136 2.653 -5.018 1.00 0.00 C ATOM 457 CG LEU G 5 0.453 3.472 -3.877 1.00 0.00 C ATOM 458 CD1 LEU G 5 1.971 3.554 -4.045 1.00 0.00 C ATOM 459 CD2 LEU G 5 -0.133 4.874 -3.891 1.00 0.00 C ATOM 0 H LEU G 5 -1.838 1.212 -6.501 1.00 0.00 H new ATOM 0 HA LEU G 5 -1.960 2.616 -3.859 1.00 0.00 H new ATOM 0 HB2 LEU G 5 0.277 1.644 -4.999 1.00 0.00 H new ATOM 0 HB3 LEU G 5 0.147 3.095 -5.973 1.00 0.00 H new ATOM 0 HG LEU G 5 0.212 2.993 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU G 5 2.396 4.140 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU G 5 2.394 2.549 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU G 5 2.207 4.032 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU G 5 0.293 5.454 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU G 5 0.102 5.357 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -1.215 4.817 -3.771 1.00 0.00 H new ATOM 471 N GLN G 6 -3.113 4.561 -4.889 1.00 0.00 N ATOM 472 CA GLN G 6 -3.772 5.732 -5.474 1.00 0.00 C ATOM 473 C GLN G 6 -3.724 6.911 -4.505 1.00 0.00 C ATOM 474 O GLN G 6 -4.256 6.843 -3.392 1.00 0.00 O ATOM 475 CB GLN G 6 -5.231 5.392 -5.816 1.00 0.00 C ATOM 476 CG GLN G 6 -5.880 6.570 -6.555 1.00 0.00 C ATOM 477 CD GLN G 6 -7.358 6.284 -6.825 1.00 0.00 C ATOM 478 OE1 GLN G 6 -8.154 6.132 -5.890 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.770 6.194 -8.063 1.00 0.00 N ATOM 0 H GLN G 6 -3.327 4.400 -3.905 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.245 6.011 -6.387 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.270 4.496 -6.436 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.786 5.173 -4.904 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.782 7.478 -5.961 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.360 6.747 -7.496 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -7.110 6.320 -8.831 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.751 5.998 -8.261 1.00 0.00 H new ATOM 488 N ILE G 7 -3.088 8.003 -4.932 1.00 0.00 N ATOM 489 CA ILE G 7 -2.988 9.191 -4.074 1.00 0.00 C ATOM 490 C ILE G 7 -3.162 10.471 -4.892 1.00 0.00 C ATOM 491 O ILE G 7 -2.958 10.415 -6.093 1.00 0.00 O ATOM 492 CB ILE G 7 -1.634 9.179 -3.343 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.540 9.699 -4.285 1.00 0.00 C ATOM 494 CG2 ILE G 7 -1.320 7.749 -2.920 1.00 0.00 C ATOM 495 CD1 ILE G 7 0.846 9.374 -3.726 1.00 0.00 C ATOM 496 OXT ILE G 7 -3.491 11.487 -4.302 1.00 0.00 O ATOM 0 H ILE G 7 -2.643 8.093 -5.845 1.00 0.00 H new ATOM 0 HA ILE G 7 -3.789 9.167 -3.335 1.00 0.00 H new ATOM 0 HB ILE G 7 -1.676 9.821 -2.463 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.656 9.248 -5.271 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.644 10.776 -4.413 1.00 0.00 H new ATOM 0 HG21 ILE G 7 -0.362 7.725 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -2.103 7.386 -2.254 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.270 7.111 -3.803 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.610 9.750 -4.406 1.00 0.00 H new ATOM 0 HD12 ILE G 7 0.965 9.846 -2.751 1.00 0.00 H new ATOM 0 HD13 ILE G 7 0.952 8.294 -3.622 1.00 0.00 H new TER 508 ILE G 7 ATOM 509 N ILE I 1 1.243 -11.674 -8.248 1.00 0.00 N ATOM 510 CA ILE I 1 0.725 -10.440 -7.592 1.00 0.00 C ATOM 511 C ILE I 1 0.660 -9.305 -8.605 1.00 0.00 C ATOM 512 O ILE I 1 1.481 -9.219 -9.526 1.00 0.00 O ATOM 513 CB ILE I 1 1.648 -10.056 -6.412 1.00 0.00 C ATOM 514 CG1 ILE I 1 1.634 -8.534 -6.180 1.00 0.00 C ATOM 515 CG2 ILE I 1 3.081 -10.493 -6.712 1.00 0.00 C ATOM 516 CD1 ILE I 1 2.245 -8.224 -4.829 1.00 0.00 C ATOM 0 H1 ILE I 1 1.493 -12.375 -7.521 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.511 -12.069 -8.872 1.00 0.00 H new ATOM 0 H3 ILE I 1 2.087 -11.441 -8.809 1.00 0.00 H new ATOM 0 HA ILE I 1 -0.279 -10.625 -7.211 1.00 0.00 H new ATOM 0 HB ILE I 1 1.281 -10.559 -5.517 1.00 0.00 H new ATOM 0 HG12 ILE I 1 2.193 -8.030 -6.968 1.00 0.00 H new ATOM 0 HG13 ILE I 1 0.612 -8.158 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.727 -10.220 -5.877 1.00 0.00 H new ATOM 0 HG22 ILE I 1 3.110 -11.573 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE I 1 3.430 -9.998 -7.618 1.00 0.00 H new ATOM 0 HD11 ILE I 1 2.236 -7.147 -4.664 1.00 0.00 H new ATOM 0 HD12 ILE I 1 1.667 -8.716 -4.047 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.273 -8.586 -4.803 1.00 0.00 H new ATOM 530 N HIS I 2 -0.303 -8.405 -8.390 1.00 0.00 N ATOM 531 CA HIS I 2 -0.444 -7.249 -9.241 1.00 0.00 C ATOM 532 C HIS I 2 -0.151 -5.992 -8.424 1.00 0.00 C ATOM 533 O HIS I 2 -0.827 -5.735 -7.428 1.00 0.00 O ATOM 534 CB HIS I 2 -1.901 -7.223 -9.746 1.00 0.00 C ATOM 535 CG HIS I 2 -2.238 -5.889 -10.354 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.505 -5.296 -10.247 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.490 -5.038 -11.110 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.468 -4.144 -10.928 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.274 -3.930 -11.476 1.00 0.00 N ATOM 0 H HIS I 2 -0.987 -8.465 -7.635 1.00 0.00 H new ATOM 0 HA HIS I 2 0.247 -7.289 -10.083 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.047 -8.011 -10.485 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.580 -7.432 -8.919 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.457 -5.191 -11.385 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.306 -3.469 -11.022 1.00 0.00 H new ATOM 546 N VAL I 3 0.814 -5.184 -8.872 1.00 0.00 N ATOM 547 CA VAL I 3 1.125 -3.924 -8.188 1.00 0.00 C ATOM 548 C VAL I 3 0.867 -2.763 -9.123 1.00 0.00 C ATOM 549 O VAL I 3 1.483 -2.687 -10.186 1.00 0.00 O ATOM 550 CB VAL I 3 2.594 -3.892 -7.764 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.891 -2.553 -7.088 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.879 -5.036 -6.787 1.00 0.00 C ATOM 0 H VAL I 3 1.387 -5.375 -9.694 1.00 0.00 H new ATOM 0 HA VAL I 3 0.492 -3.847 -7.304 1.00 0.00 H new ATOM 0 HB VAL I 3 3.229 -4.010 -8.642 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.937 -2.523 -6.783 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.694 -1.741 -7.787 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.254 -2.439 -6.211 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.927 -5.007 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.248 -4.927 -5.905 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.665 -5.989 -7.271 1.00 0.00 H new ATOM 562 N HIS I 4 -0.008 -1.835 -8.727 1.00 0.00 N ATOM 563 CA HIS I 4 -0.278 -0.679 -9.544 1.00 0.00 C ATOM 564 C HIS I 4 0.091 0.604 -8.823 1.00 0.00 C ATOM 565 O HIS I 4 -0.304 0.806 -7.674 1.00 0.00 O ATOM 566 CB HIS I 4 -1.759 -0.706 -9.958 1.00 0.00 C ATOM 567 CG HIS I 4 -1.966 0.154 -11.171 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.314 -0.347 -12.440 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.889 1.495 -11.306 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.434 0.707 -13.260 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.190 1.857 -12.622 1.00 0.00 N ATOM 0 H HIS I 4 -0.531 -1.872 -7.852 1.00 0.00 H new ATOM 0 HA HIS I 4 0.340 -0.709 -10.441 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.068 -1.730 -10.170 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.382 -0.349 -9.138 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.633 2.185 -10.515 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.695 0.636 -14.306 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.218 2.799 -13.013 1.00 0.00 H new ATOM 579 N LEU I 5 0.840 1.480 -9.503 1.00 0.00 N ATOM 580 CA LEU I 5 1.244 2.750 -8.900 1.00 0.00 C ATOM 581 C LEU I 5 0.606 3.923 -9.630 1.00 0.00 C ATOM 582 O LEU I 5 0.947 4.202 -10.779 1.00 0.00 O ATOM 583 CB LEU I 5 2.759 2.900 -8.945 1.00 0.00 C ATOM 584 CG LEU I 5 3.422 1.639 -8.377 1.00 0.00 C ATOM 585 CD1 LEU I 5 4.956 1.795 -8.402 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.932 1.402 -6.940 1.00 0.00 C ATOM 0 H LEU I 5 1.173 1.334 -10.456 1.00 0.00 H new ATOM 0 HA LEU I 5 0.907 2.749 -7.863 1.00 0.00 H new ATOM 0 HB2 LEU I 5 3.087 3.064 -9.971 1.00 0.00 H new ATOM 0 HB3 LEU I 5 3.065 3.774 -8.369 1.00 0.00 H new ATOM 0 HG LEU I 5 3.150 0.780 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU I 5 5.420 0.896 -7.997 1.00 0.00 H new ATOM 0 HD12 LEU I 5 5.290 1.945 -9.429 1.00 0.00 H new ATOM 0 HD13 LEU I 5 5.244 2.655 -7.798 1.00 0.00 H new ATOM 0 HD21 LEU I 5 3.404 0.506 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU I 5 3.194 2.259 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU I 5 1.850 1.273 -6.941 1.00 0.00 H new ATOM 598 N GLN I 6 -0.300 4.627 -8.945 1.00 0.00 N ATOM 599 CA GLN I 6 -0.962 5.795 -9.533 1.00 0.00 C ATOM 600 C GLN I 6 -0.862 6.977 -8.575 1.00 0.00 C ATOM 601 O GLN I 6 -1.556 7.042 -7.548 1.00 0.00 O ATOM 602 CB GLN I 6 -2.427 5.471 -9.837 1.00 0.00 C ATOM 603 CG GLN I 6 -3.060 6.647 -10.580 1.00 0.00 C ATOM 604 CD GLN I 6 -4.537 6.378 -10.829 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.334 6.298 -9.887 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.946 6.206 -12.058 1.00 0.00 N ATOM 0 H GLN I 6 -0.590 4.411 -7.991 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.467 6.058 -10.468 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.494 4.566 -10.441 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.968 5.277 -8.911 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.943 7.560 -9.997 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.547 6.806 -11.528 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -4.283 6.273 -12.830 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.928 6.004 -12.245 1.00 0.00 H new ATOM 615 N ILE I 7 0.023 7.910 -8.917 1.00 0.00 N ATOM 616 CA ILE I 7 0.244 9.091 -8.086 1.00 0.00 C ATOM 617 C ILE I 7 0.550 10.313 -8.947 1.00 0.00 C ATOM 618 O ILE I 7 0.963 11.316 -8.392 1.00 0.00 O ATOM 619 CB ILE I 7 1.400 8.806 -7.108 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.777 8.941 -7.818 1.00 0.00 C ATOM 621 CG2 ILE I 7 1.255 7.382 -6.560 1.00 0.00 C ATOM 622 CD1 ILE I 7 3.344 10.372 -7.710 1.00 0.00 C ATOM 623 OXT ILE I 7 0.360 10.227 -10.148 1.00 0.00 O ATOM 0 H ILE I 7 0.596 7.872 -9.760 1.00 0.00 H new ATOM 0 HA ILE I 7 -0.662 9.309 -7.521 1.00 0.00 H new ATOM 0 HB ILE I 7 1.355 9.533 -6.297 1.00 0.00 H new ATOM 0 HG12 ILE I 7 3.483 8.237 -7.377 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.671 8.671 -8.869 1.00 0.00 H new ATOM 0 HG21 ILE I 7 2.070 7.174 -5.867 1.00 0.00 H new ATOM 0 HG22 ILE I 7 0.303 7.288 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE I 7 1.289 6.670 -7.384 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.306 10.421 -8.219 1.00 0.00 H new ATOM 0 HD12 ILE I 7 2.651 11.074 -8.174 1.00 0.00 H new ATOM 0 HD13 ILE I 7 3.475 10.633 -6.660 1.00 0.00 H new TER 635 ILE I 7 ATOM 636 N ILE K 1 4.257 -11.760 -11.975 1.00 0.00 N ATOM 637 CA ILE K 1 4.263 -10.476 -11.219 1.00 0.00 C ATOM 638 C ILE K 1 4.125 -9.322 -12.194 1.00 0.00 C ATOM 639 O ILE K 1 5.011 -9.104 -13.020 1.00 0.00 O ATOM 640 CB ILE K 1 5.596 -10.329 -10.478 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.751 -11.485 -9.489 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.621 -8.992 -9.730 1.00 0.00 C ATOM 643 CD1 ILE K 1 7.173 -11.488 -8.946 1.00 0.00 C ATOM 0 H1 ILE K 1 3.930 -12.527 -11.354 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.618 -11.679 -12.791 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.219 -11.971 -12.309 1.00 0.00 H new ATOM 0 HA ILE K 1 3.437 -10.471 -10.508 1.00 0.00 H new ATOM 0 HB ILE K 1 6.420 -10.352 -11.191 1.00 0.00 H new ATOM 0 HG12 ILE K 1 5.037 -11.380 -8.672 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.534 -12.433 -9.982 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.569 -8.888 -9.203 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.510 -8.174 -10.442 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.802 -8.961 -9.012 1.00 0.00 H new ATOM 0 HD11 ILE K 1 7.291 -12.310 -8.240 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.877 -11.613 -9.769 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.371 -10.543 -8.440 1.00 0.00 H new ATOM 657 N HIS K 2 3.032 -8.559 -12.091 1.00 0.00 N ATOM 658 CA HIS K 2 2.857 -7.408 -12.984 1.00 0.00 C ATOM 659 C HIS K 2 3.057 -6.127 -12.185 1.00 0.00 C ATOM 660 O HIS K 2 2.354 -5.883 -11.203 1.00 0.00 O ATOM 661 CB HIS K 2 1.431 -7.415 -13.579 1.00 0.00 C ATOM 662 CG HIS K 2 1.376 -8.242 -14.842 1.00 0.00 C ATOM 663 ND1 HIS K 2 1.077 -7.683 -16.079 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.553 -9.585 -15.071 1.00 0.00 C ATOM 665 CE1 HIS K 2 1.082 -8.680 -16.984 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.367 -9.859 -16.422 1.00 0.00 N ATOM 0 H HIS K 2 2.277 -8.709 -11.421 1.00 0.00 H new ATOM 0 HA HIS K 2 3.585 -7.464 -13.794 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.730 -7.815 -12.847 1.00 0.00 H new ATOM 0 HB3 HIS K 2 1.118 -6.393 -13.795 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.799 -10.317 -14.316 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.880 -8.544 -18.036 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.434 -10.765 -16.885 1.00 0.00 H new ATOM 674 N VAL K 3 3.988 -5.291 -12.638 1.00 0.00 N ATOM 675 CA VAL K 3 4.244 -4.006 -11.991 1.00 0.00 C ATOM 676 C VAL K 3 3.897 -2.876 -12.961 1.00 0.00 C ATOM 677 O VAL K 3 4.420 -2.839 -14.077 1.00 0.00 O ATOM 678 CB VAL K 3 5.719 -3.915 -11.577 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.959 -2.572 -10.890 1.00 0.00 C ATOM 680 CG2 VAL K 3 6.071 -5.066 -10.610 1.00 0.00 C ATOM 0 H VAL K 3 4.577 -5.479 -13.449 1.00 0.00 H new ATOM 0 HA VAL K 3 3.626 -3.916 -11.098 1.00 0.00 H new ATOM 0 HB VAL K 3 6.351 -3.997 -12.461 1.00 0.00 H new ATOM 0 HG11 VAL K 3 7.005 -2.498 -10.592 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.720 -1.763 -11.580 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.324 -2.496 -10.007 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.120 -4.992 -10.323 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.445 -4.998 -9.720 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.897 -6.022 -11.104 1.00 0.00 H new ATOM 690 N HIS K 4 3.034 -1.945 -12.543 1.00 0.00 N ATOM 691 CA HIS K 4 2.655 -0.808 -13.406 1.00 0.00 C ATOM 692 C HIS K 4 3.085 0.503 -12.740 1.00 0.00 C ATOM 693 O HIS K 4 2.796 0.718 -11.560 1.00 0.00 O ATOM 694 CB HIS K 4 1.121 -0.822 -13.659 1.00 0.00 C ATOM 695 CG HIS K 4 0.680 -2.123 -14.332 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.510 -2.794 -14.000 1.00 0.00 N ATOM 697 CD2 HIS K 4 1.268 -2.900 -15.311 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.578 -3.903 -14.758 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.475 -4.018 -15.571 1.00 0.00 N ATOM 0 H HIS K 4 2.587 -1.950 -11.626 1.00 0.00 H new ATOM 0 HA HIS K 4 3.160 -0.894 -14.368 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.593 -0.703 -12.713 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.846 0.026 -14.287 1.00 0.00 H new ATOM 0 HD2 HIS K 4 2.203 -2.675 -15.802 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.388 -4.616 -14.714 1.00 0.00 H new ATOM 706 N LEU K 5 3.783 1.371 -13.486 1.00 0.00 N ATOM 707 CA LEU K 5 4.261 2.649 -12.926 1.00 0.00 C ATOM 708 C LEU K 5 3.564 3.824 -13.624 1.00 0.00 C ATOM 709 O LEU K 5 3.744 4.035 -14.824 1.00 0.00 O ATOM 710 CB LEU K 5 5.788 2.726 -13.128 1.00 0.00 C ATOM 711 CG LEU K 5 6.430 3.575 -12.033 1.00 0.00 C ATOM 712 CD1 LEU K 5 7.940 3.668 -12.265 1.00 0.00 C ATOM 713 CD2 LEU K 5 5.825 4.969 -12.042 1.00 0.00 C ATOM 0 H LEU K 5 4.028 1.218 -14.464 1.00 0.00 H new ATOM 0 HA LEU K 5 4.028 2.705 -11.863 1.00 0.00 H new ATOM 0 HB2 LEU K 5 6.214 1.723 -13.115 1.00 0.00 H new ATOM 0 HB3 LEU K 5 6.010 3.154 -14.106 1.00 0.00 H new ATOM 0 HG LEU K 5 6.244 3.108 -11.066 1.00 0.00 H new ATOM 0 HD11 LEU K 5 8.392 4.275 -11.480 1.00 0.00 H new ATOM 0 HD12 LEU K 5 8.373 2.668 -12.245 1.00 0.00 H new ATOM 0 HD13 LEU K 5 8.132 4.127 -13.235 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.286 5.571 -11.259 1.00 0.00 H new ATOM 0 HD22 LEU K 5 6.002 5.436 -13.011 1.00 0.00 H new ATOM 0 HD23 LEU K 5 4.752 4.901 -11.863 1.00 0.00 H new ATOM 725 N GLN K 6 2.765 4.590 -12.869 1.00 0.00 N ATOM 726 CA GLN K 6 2.052 5.741 -13.438 1.00 0.00 C ATOM 727 C GLN K 6 2.109 6.930 -12.477 1.00 0.00 C ATOM 728 O GLN K 6 1.636 6.855 -11.334 1.00 0.00 O ATOM 729 CB GLN K 6 0.591 5.354 -13.720 1.00 0.00 C ATOM 730 CG GLN K 6 -0.124 6.497 -14.455 1.00 0.00 C ATOM 731 CD GLN K 6 -1.605 6.160 -14.660 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.355 5.998 -13.693 1.00 0.00 O ATOM 733 NE2 GLN K 6 -2.071 6.032 -15.874 1.00 0.00 N ATOM 0 H GLN K 6 2.597 4.436 -11.875 1.00 0.00 H new ATOM 0 HA GLN K 6 2.532 6.031 -14.373 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.557 4.446 -14.322 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.077 5.135 -12.784 1.00 0.00 H new ATOM 0 HG2 GLN K 6 -0.031 7.420 -13.882 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.352 6.671 -15.420 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.453 6.165 -16.674 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -3.053 5.799 -16.021 1.00 0.00 H new ATOM 742 N ILE K 7 2.698 8.031 -12.947 1.00 0.00 N ATOM 743 CA ILE K 7 2.834 9.236 -12.130 1.00 0.00 C ATOM 744 C ILE K 7 2.578 10.487 -12.970 1.00 0.00 C ATOM 745 O ILE K 7 2.713 10.401 -14.181 1.00 0.00 O ATOM 746 CB ILE K 7 4.246 9.263 -11.516 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.283 9.709 -12.569 1.00 0.00 C ATOM 748 CG2 ILE K 7 4.598 7.865 -11.031 1.00 0.00 C ATOM 749 CD1 ILE K 7 6.707 9.518 -12.030 1.00 0.00 C ATOM 750 OXT ILE K 7 2.254 11.511 -12.392 1.00 0.00 O ATOM 0 H ILE K 7 3.087 8.112 -13.886 1.00 0.00 H new ATOM 0 HA ILE K 7 2.094 9.223 -11.330 1.00 0.00 H new ATOM 0 HB ILE K 7 4.261 9.969 -10.686 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.153 9.132 -13.484 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.122 10.756 -12.827 1.00 0.00 H new ATOM 0 HG21 ILE K 7 5.597 7.872 -10.594 1.00 0.00 H new ATOM 0 HG22 ILE K 7 3.875 7.548 -10.279 1.00 0.00 H new ATOM 0 HG23 ILE K 7 4.575 7.172 -11.872 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.427 9.837 -12.784 1.00 0.00 H new ATOM 0 HD12 ILE K 7 6.838 10.115 -11.128 1.00 0.00 H new ATOM 0 HD13 ILE K 7 6.869 8.466 -11.795 1.00 0.00 H new TER 762 ILE K 7 ATOM 763 N ILE O 1 -4.078 11.399 12.565 1.00 0.00 N ATOM 764 CA ILE O 1 -4.509 10.132 13.224 1.00 0.00 C ATOM 765 C ILE O 1 -3.593 8.986 12.794 1.00 0.00 C ATOM 766 O ILE O 1 -3.112 8.935 11.657 1.00 0.00 O ATOM 767 CB ILE O 1 -5.979 9.833 12.853 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.284 8.336 13.007 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.247 10.257 11.411 1.00 0.00 C ATOM 770 CD1 ILE O 1 -7.794 8.111 12.983 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.826 12.114 12.665 1.00 0.00 H new ATOM 0 H2 ILE O 1 -3.206 11.745 13.015 1.00 0.00 H new ATOM 0 H3 ILE O 1 -3.900 11.222 11.556 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.438 10.237 14.307 1.00 0.00 H new ATOM 0 HB ILE O 1 -6.624 10.396 13.528 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -5.811 7.774 12.202 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -5.867 7.965 13.943 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.285 10.043 11.156 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.060 11.326 11.305 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -5.588 9.705 10.741 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.005 7.047 13.093 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -8.257 8.659 13.804 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.200 8.466 12.036 1.00 0.00 H new ATOM 784 N HIS O 2 -3.374 8.054 13.718 1.00 0.00 N ATOM 785 CA HIS O 2 -2.559 6.904 13.451 1.00 0.00 C ATOM 786 C HIS O 2 -3.448 5.664 13.490 1.00 0.00 C ATOM 787 O HIS O 2 -4.091 5.395 14.506 1.00 0.00 O ATOM 788 CB HIS O 2 -1.501 6.860 14.574 1.00 0.00 C ATOM 789 CG HIS O 2 -0.868 5.506 14.693 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.427 4.990 15.918 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.545 4.576 13.755 1.00 0.00 C ATOM 792 CE1 HIS O 2 0.135 3.798 15.674 1.00 0.00 C ATOM 793 NE2 HIS O 2 0.097 3.490 14.379 1.00 0.00 N ATOM 0 H HIS O 2 -3.760 8.087 14.662 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.076 6.945 12.475 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -0.730 7.605 14.376 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -1.967 7.128 15.522 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -0.517 5.439 16.829 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.749 4.658 12.698 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.566 3.164 16.435 1.00 0.00 H new ATOM 800 N VAL O 3 -3.463 4.891 12.401 1.00 0.00 N ATOM 801 CA VAL O 3 -4.261 3.660 12.357 1.00 0.00 C ATOM 802 C VAL O 3 -3.345 2.463 12.184 1.00 0.00 C ATOM 803 O VAL O 3 -2.613 2.381 11.198 1.00 0.00 O ATOM 804 CB VAL O 3 -5.249 3.710 11.189 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.060 2.414 11.159 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.198 4.906 11.353 1.00 0.00 C ATOM 0 H VAL O 3 -2.940 5.090 11.548 1.00 0.00 H new ATOM 0 HA VAL O 3 -4.815 3.569 13.291 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.697 3.821 10.256 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.765 2.445 10.328 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.387 1.566 11.032 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.607 2.305 12.096 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -6.897 4.933 10.517 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.752 4.806 12.286 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.619 5.830 11.372 1.00 0.00 H new ATOM 816 N HIS O 4 -3.406 1.517 13.122 1.00 0.00 N ATOM 817 CA HIS O 4 -2.606 0.324 13.040 1.00 0.00 C ATOM 818 C HIS O 4 -3.492 -0.911 12.959 1.00 0.00 C ATOM 819 O HIS O 4 -4.418 -1.069 13.752 1.00 0.00 O ATOM 820 CB HIS O 4 -1.667 0.279 14.259 1.00 0.00 C ATOM 821 CG HIS O 4 -0.485 -0.602 13.961 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.840 -0.136 13.894 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.427 -1.931 13.723 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.619 -1.194 13.623 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.899 -2.316 13.512 1.00 0.00 N ATOM 0 H HIS O 4 -4.007 1.567 13.944 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.003 0.337 12.132 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.329 1.285 14.506 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.204 -0.099 15.129 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.278 -2.596 13.699 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.692 -1.146 13.509 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.245 -3.255 13.315 1.00 0.00 H new ATOM 833 N LEU O 5 -3.201 -1.792 12.001 1.00 0.00 N ATOM 834 CA LEU O 5 -3.985 -3.017 11.838 1.00 0.00 C ATOM 835 C LEU O 5 -3.109 -4.231 12.094 1.00 0.00 C ATOM 836 O LEU O 5 -2.240 -4.553 11.287 1.00 0.00 O ATOM 837 CB LEU O 5 -4.531 -3.092 10.414 1.00 0.00 C ATOM 838 CG LEU O 5 -5.278 -1.796 10.078 1.00 0.00 C ATOM 839 CD1 LEU O 5 -5.813 -1.869 8.639 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.439 -1.595 11.065 1.00 0.00 C ATOM 0 H LEU O 5 -2.438 -1.683 11.333 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.810 -3.005 12.551 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -3.714 -3.246 9.709 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -5.202 -3.946 10.316 1.00 0.00 H new ATOM 0 HG LEU O 5 -4.595 -0.951 10.161 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -6.344 -0.947 8.401 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -4.980 -1.997 7.947 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -6.495 -2.715 8.547 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -6.967 -0.673 10.823 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -7.127 -2.437 10.993 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.047 -1.532 12.080 1.00 0.00 H new ATOM 852 N GLN O 6 -3.359 -4.923 13.203 1.00 0.00 N ATOM 853 CA GLN O 6 -2.595 -6.126 13.538 1.00 0.00 C ATOM 854 C GLN O 6 -3.560 -7.280 13.758 1.00 0.00 C ATOM 855 O GLN O 6 -4.255 -7.331 14.772 1.00 0.00 O ATOM 856 CB GLN O 6 -1.752 -5.881 14.790 1.00 0.00 C ATOM 857 CG GLN O 6 -0.821 -7.073 15.010 1.00 0.00 C ATOM 858 CD GLN O 6 -0.034 -6.888 16.302 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.614 -6.866 17.388 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.261 -6.732 16.245 1.00 0.00 N ATOM 0 H GLN O 6 -4.079 -4.675 13.882 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.920 -6.375 12.719 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.170 -4.966 14.678 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.398 -5.744 15.657 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.401 -7.994 15.057 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.136 -7.170 14.168 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.738 -6.751 15.343 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.796 -6.591 17.102 1.00 0.00 H new ATOM 869 N ILE O 7 -3.612 -8.200 12.791 1.00 0.00 N ATOM 870 CA ILE O 7 -4.524 -9.349 12.887 1.00 0.00 C ATOM 871 C ILE O 7 -3.911 -10.594 12.254 1.00 0.00 C ATOM 872 O ILE O 7 -4.633 -11.562 12.082 1.00 0.00 O ATOM 873 CB ILE O 7 -5.871 -9.012 12.215 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.732 -9.029 10.667 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.322 -7.622 12.667 1.00 0.00 C ATOM 876 CD1 ILE O 7 -5.978 -10.434 10.085 1.00 0.00 C ATOM 877 OXT ILE O 7 -2.728 -10.566 11.964 1.00 0.00 O ATOM 0 H ILE O 7 -3.044 -8.176 11.944 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.696 -9.561 13.942 1.00 0.00 H new ATOM 0 HB ILE O 7 -6.607 -9.761 12.507 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -6.441 -8.326 10.231 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.734 -8.690 10.388 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -7.274 -7.377 12.196 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.441 -7.612 13.750 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -5.573 -6.885 12.377 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -5.871 -10.402 9.001 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -5.252 -11.132 10.501 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -6.985 -10.763 10.341 1.00 0.00 H new TER 889 ILE O 7 ATOM 890 N ILE Q 1 -1.241 11.648 8.707 1.00 0.00 N ATOM 891 CA ILE Q 1 -1.960 10.366 8.945 1.00 0.00 C ATOM 892 C ILE Q 1 -1.003 9.204 8.702 1.00 0.00 C ATOM 893 O ILE Q 1 -0.438 9.067 7.611 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.155 10.263 7.979 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.109 11.436 8.232 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -3.896 8.944 8.216 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.149 11.508 7.111 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.656 12.394 9.301 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.236 11.532 8.948 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.328 11.914 7.705 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.323 10.331 9.972 1.00 0.00 H new ATOM 0 HB ILE Q 1 -2.796 10.295 6.950 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.606 11.312 9.194 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.548 12.369 8.281 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.741 8.873 7.531 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.217 8.109 8.042 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.258 8.909 9.244 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -5.825 12.343 7.295 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.645 11.653 6.156 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.719 10.579 7.083 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.820 8.347 9.711 1.00 0.00 N ATOM 912 CA HIS Q 2 0.056 7.182 9.533 1.00 0.00 C ATOM 913 C HIS Q 2 -0.804 5.925 9.555 1.00 0.00 C ATOM 914 O HIS Q 2 -1.487 5.656 10.544 1.00 0.00 O ATOM 915 CB HIS Q 2 1.091 7.114 10.679 1.00 0.00 C ATOM 916 CG HIS Q 2 2.314 7.936 10.347 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.576 7.366 10.203 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.489 9.283 10.138 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.437 8.362 9.920 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.827 9.549 9.870 1.00 0.00 N ATOM 0 H HIS Q 2 -1.250 8.431 10.632 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.587 7.264 8.585 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.642 7.479 11.603 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.380 6.078 10.853 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.704 10.024 10.176 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.494 8.218 9.753 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.252 10.456 9.677 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.731 5.130 8.490 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.471 3.872 8.431 1.00 0.00 C ATOM 930 C VAL Q 3 -0.498 2.701 8.347 1.00 0.00 C ATOM 931 O VAL Q 3 0.352 2.651 7.448 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.409 3.870 7.230 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.165 2.541 7.208 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.413 5.047 7.333 1.00 0.00 C ATOM 0 H VAL Q 3 -0.171 5.332 7.662 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.068 3.768 9.337 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.834 3.989 6.312 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.842 2.522 6.354 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.454 1.719 7.126 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.739 2.434 8.128 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.078 5.035 6.469 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -4.001 4.945 8.245 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.867 5.990 7.357 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.630 1.749 9.263 1.00 0.00 N ATOM 945 CA HIS Q 4 0.242 0.567 9.268 1.00 0.00 C ATOM 946 C HIS Q 4 -0.607 -0.691 9.065 1.00 0.00 C ATOM 947 O HIS Q 4 -1.616 -0.869 9.748 1.00 0.00 O ATOM 948 CB HIS Q 4 1.014 0.500 10.611 1.00 0.00 C ATOM 949 CG HIS Q 4 1.823 1.782 10.865 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.911 2.378 12.133 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.584 2.590 10.037 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.682 3.475 12.020 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.117 3.654 10.770 1.00 0.00 N ATOM 0 H HIS Q 4 -1.325 1.766 10.009 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.966 0.634 8.456 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.310 0.346 11.429 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.685 -0.359 10.603 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.742 2.423 8.982 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.921 4.133 12.843 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.212 -1.559 8.125 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.973 -2.791 7.850 1.00 0.00 C ATOM 962 C LEU Q 5 -0.108 -4.007 8.175 1.00 0.00 C ATOM 963 O LEU Q 5 0.918 -4.231 7.533 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.357 -2.797 6.364 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.615 -3.616 6.135 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.910 -3.663 4.637 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -2.418 -5.032 6.648 1.00 0.00 C ATOM 0 H LEU Q 5 0.619 -1.437 7.547 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.872 -2.830 8.465 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -1.516 -1.775 6.021 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -0.538 -3.208 5.774 1.00 0.00 H new ATOM 0 HG LEU Q 5 -3.446 -3.156 6.670 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.812 -4.249 4.462 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -3.058 -2.650 4.263 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -2.071 -4.124 4.115 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -3.326 -5.610 6.479 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -1.587 -5.498 6.119 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -2.199 -5.005 7.715 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.527 -4.795 9.167 1.00 0.00 N ATOM 980 CA GLN Q 6 0.226 -5.989 9.558 1.00 0.00 C ATOM 981 C GLN Q 6 -0.719 -7.170 9.781 1.00 0.00 C ATOM 982 O GLN Q 6 -1.620 -7.117 10.623 1.00 0.00 O ATOM 983 CB GLN Q 6 1.025 -5.699 10.833 1.00 0.00 C ATOM 984 CG GLN Q 6 1.929 -6.890 11.164 1.00 0.00 C ATOM 985 CD GLN Q 6 2.658 -6.647 12.483 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.024 -6.499 13.527 1.00 0.00 O ATOM 987 NE2 GLN Q 6 3.963 -6.590 12.495 1.00 0.00 N ATOM 0 H GLN Q 6 -1.375 -4.631 9.710 1.00 0.00 H new ATOM 0 HA GLN Q 6 0.915 -6.251 8.755 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.627 -4.800 10.699 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.345 -5.506 11.663 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.333 -7.800 11.231 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.652 -7.041 10.363 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.487 -6.713 11.628 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.458 -6.423 13.371 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.513 -8.247 9.024 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.371 -9.433 9.167 1.00 0.00 C ATOM 998 C ILE Q 7 -0.547 -10.715 9.043 1.00 0.00 C ATOM 999 O ILE Q 7 0.511 -10.660 8.437 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.491 -9.388 8.108 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -1.939 -9.904 6.770 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -2.966 -7.948 7.962 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -2.870 -9.521 5.620 1.00 0.00 C ATOM 1004 OXT ILE Q 7 -0.990 -11.731 9.551 1.00 0.00 O ATOM 0 H ILE Q 7 0.221 -8.328 8.320 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.825 -9.430 10.158 1.00 0.00 H new ATOM 0 HB ILE Q 7 -3.329 -10.016 8.411 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -0.947 -9.488 6.595 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -1.828 -10.988 6.810 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.759 -7.900 7.216 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.347 -7.592 8.919 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -2.133 -7.320 7.647 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -2.462 -9.895 4.681 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -3.854 -9.958 5.788 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -2.959 -8.436 5.570 1.00 0.00 H new TER 1016 ILE Q 7 ATOM 1017 N ILE S 1 1.464 11.506 4.594 1.00 0.00 N ATOM 1018 CA ILE S 1 1.014 10.246 5.247 1.00 0.00 C ATOM 1019 C ILE S 1 1.999 9.126 4.948 1.00 0.00 C ATOM 1020 O ILE S 1 2.625 9.082 3.881 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.397 9.874 4.741 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -0.615 8.349 4.775 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.577 10.352 3.306 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.093 8.050 4.603 1.00 0.00 C ATOM 0 H1 ILE S 1 0.697 12.208 4.628 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.296 11.878 5.094 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.714 11.313 3.603 1.00 0.00 H new ATOM 0 HA ILE S 1 0.973 10.393 6.326 1.00 0.00 H new ATOM 0 HB ILE S 1 -1.122 10.356 5.397 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -0.041 7.870 3.982 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.257 7.940 5.720 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.574 10.086 2.956 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.455 11.434 3.265 1.00 0.00 H new ATOM 0 HG23 ILE S 1 0.169 9.878 2.668 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -2.251 6.972 4.626 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -2.655 8.517 5.412 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.436 8.446 3.647 1.00 0.00 H new ATOM 1038 N HIS S 2 2.096 8.195 5.896 1.00 0.00 N ATOM 1039 CA HIS S 2 2.954 7.048 5.730 1.00 0.00 C ATOM 1040 C HIS S 2 2.092 5.790 5.664 1.00 0.00 C ATOM 1041 O HIS S 2 1.354 5.502 6.606 1.00 0.00 O ATOM 1042 CB HIS S 2 3.880 6.998 6.962 1.00 0.00 C ATOM 1043 CG HIS S 2 4.551 5.659 7.086 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.824 5.053 8.322 1.00 0.00 N ATOM 1045 CD2 HIS S 2 5.056 4.821 6.140 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.473 3.909 8.075 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.645 3.708 6.769 1.00 0.00 N ATOM 0 H HIS S 2 1.588 8.222 6.780 1.00 0.00 H new ATOM 0 HA HIS S 2 3.542 7.112 4.814 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.635 7.780 6.884 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.302 7.202 7.863 1.00 0.00 H new ATOM 0 HD2 HIS S 2 5.012 4.984 5.073 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.816 3.230 8.842 1.00 0.00 H new ATOM 1054 N VAL S 3 2.221 5.016 4.583 1.00 0.00 N ATOM 1055 CA VAL S 3 1.476 3.758 4.460 1.00 0.00 C ATOM 1056 C VAL S 3 2.447 2.597 4.386 1.00 0.00 C ATOM 1057 O VAL S 3 3.273 2.547 3.473 1.00 0.00 O ATOM 1058 CB VAL S 3 0.617 3.768 3.193 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.130 2.438 3.080 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.393 4.919 3.254 1.00 0.00 C ATOM 0 H VAL S 3 2.825 5.233 3.790 1.00 0.00 H new ATOM 0 HA VAL S 3 0.830 3.651 5.331 1.00 0.00 H new ATOM 0 HB VAL S 3 1.260 3.905 2.323 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.743 2.441 2.179 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.589 1.620 3.027 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.769 2.304 3.953 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.000 4.919 2.349 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.038 4.791 4.123 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.140 5.867 3.333 1.00 0.00 H new ATOM 1070 N HIS S 4 2.336 1.646 5.313 1.00 0.00 N ATOM 1071 CA HIS S 4 3.192 0.487 5.296 1.00 0.00 C ATOM 1072 C HIS S 4 2.378 -0.786 5.131 1.00 0.00 C ATOM 1073 O HIS S 4 1.395 -0.992 5.844 1.00 0.00 O ATOM 1074 CB HIS S 4 4.025 0.476 6.590 1.00 0.00 C ATOM 1075 CG HIS S 4 5.249 -0.374 6.400 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.563 0.129 6.394 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.358 -1.708 6.226 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.385 -0.916 6.222 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.705 -2.063 6.117 1.00 0.00 N ATOM 0 H HIS S 4 1.661 1.666 6.077 1.00 0.00 H new ATOM 0 HA HIS S 4 3.867 0.533 4.442 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.315 1.493 6.855 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.427 0.089 7.415 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.528 -2.398 6.178 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.461 -0.841 6.174 1.00 0.00 H new ATOM 0 HE2 HIS S 4 7.089 -2.999 5.985 1.00 0.00 H new ATOM 1087 N LEU S 5 2.789 -1.649 4.194 1.00 0.00 N ATOM 1088 CA LEU S 5 2.076 -2.907 3.965 1.00 0.00 C ATOM 1089 C LEU S 5 2.960 -4.093 4.307 1.00 0.00 C ATOM 1090 O LEU S 5 3.942 -4.356 3.617 1.00 0.00 O ATOM 1091 CB LEU S 5 1.652 -3.010 2.504 1.00 0.00 C ATOM 1092 CG LEU S 5 0.922 -1.730 2.084 1.00 0.00 C ATOM 1093 CD1 LEU S 5 0.495 -1.831 0.607 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.308 -1.527 2.981 1.00 0.00 C ATOM 0 H LEU S 5 3.599 -1.501 3.592 1.00 0.00 H new ATOM 0 HA LEU S 5 1.195 -2.919 4.607 1.00 0.00 H new ATOM 0 HB2 LEU S 5 2.527 -3.165 1.872 1.00 0.00 H new ATOM 0 HB3 LEU S 5 1.001 -3.873 2.365 1.00 0.00 H new ATOM 0 HG LEU S 5 1.590 -0.876 2.196 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.023 -0.918 0.315 1.00 0.00 H new ATOM 0 HD12 LEU S 5 1.378 -1.963 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.172 -2.684 0.479 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -0.829 -0.617 2.684 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -0.979 -2.380 2.877 1.00 0.00 H new ATOM 0 HD23 LEU S 5 0.010 -1.440 4.020 1.00 0.00 H new ATOM 1106 N GLN S 6 2.593 -4.824 5.363 1.00 0.00 N ATOM 1107 CA GLN S 6 3.357 -6.004 5.772 1.00 0.00 C ATOM 1108 C GLN S 6 2.407 -7.188 5.930 1.00 0.00 C ATOM 1109 O GLN S 6 1.631 -7.272 6.890 1.00 0.00 O ATOM 1110 CB GLN S 6 4.090 -5.722 7.084 1.00 0.00 C ATOM 1111 CG GLN S 6 5.029 -6.886 7.390 1.00 0.00 C ATOM 1112 CD GLN S 6 5.708 -6.667 8.733 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.047 -6.648 9.773 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.000 -6.476 8.768 1.00 0.00 N ATOM 0 H GLN S 6 1.780 -4.622 5.945 1.00 0.00 H new ATOM 0 HA GLN S 6 4.099 -6.244 5.011 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.655 -4.793 7.007 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.373 -5.593 7.895 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.469 -7.821 7.404 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.779 -6.975 6.604 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.542 -6.493 7.904 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.467 -6.310 9.659 1.00 0.00 H new ATOM 1123 N ILE S 7 2.459 -8.098 4.961 1.00 0.00 N ATOM 1124 CA ILE S 7 1.582 -9.271 4.975 1.00 0.00 C ATOM 1125 C ILE S 7 2.296 -10.491 4.399 1.00 0.00 C ATOM 1126 O ILE S 7 1.632 -11.483 4.158 1.00 0.00 O ATOM 1127 CB ILE S 7 0.305 -8.955 4.170 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.580 -9.034 2.644 1.00 0.00 C ATOM 1129 CG2 ILE S 7 -0.175 -7.545 4.524 1.00 0.00 C ATOM 1130 CD1 ILE S 7 0.313 -10.446 2.088 1.00 0.00 C ATOM 1131 OXT ILE S 7 3.500 -10.414 4.216 1.00 0.00 O ATOM 0 H ILE S 7 3.092 -8.050 4.162 1.00 0.00 H new ATOM 0 HA ILE S 7 1.312 -9.505 6.005 1.00 0.00 H new ATOM 0 HB ILE S 7 -0.459 -9.690 4.424 1.00 0.00 H new ATOM 0 HG12 ILE S 7 -0.050 -8.313 2.123 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.615 -8.755 2.446 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -1.078 -7.315 3.958 1.00 0.00 H new ATOM 0 HG22 ILE S 7 -0.392 -7.492 5.591 1.00 0.00 H new ATOM 0 HG23 ILE S 7 0.603 -6.823 4.275 1.00 0.00 H new ATOM 0 HD11 ILE S 7 0.517 -10.460 1.017 1.00 0.00 H new ATOM 0 HD12 ILE S 7 0.962 -11.164 2.590 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.729 -10.715 2.262 1.00 0.00 H new TER 1143 ILE S 7 ATOM 1144 N ILE U 1 4.321 11.777 0.761 1.00 0.00 N ATOM 1145 CA ILE U 1 3.611 10.484 0.969 1.00 0.00 C ATOM 1146 C ILE U 1 4.592 9.339 0.756 1.00 0.00 C ATOM 1147 O ILE U 1 5.161 9.193 -0.332 1.00 0.00 O ATOM 1148 CB ILE U 1 2.463 10.367 -0.046 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.486 11.530 0.160 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.736 9.032 0.151 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.500 11.587 -1.006 1.00 0.00 C ATOM 0 H1 ILE U 1 3.824 12.532 1.275 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.295 11.699 1.116 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.340 12.004 -0.254 1.00 0.00 H new ATOM 0 HA ILE U 1 3.208 10.441 1.981 1.00 0.00 H new ATOM 0 HB ILE U 1 2.863 10.407 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE U 1 0.947 11.403 1.099 1.00 0.00 H new ATOM 0 HG13 ILE U 1 2.034 12.470 0.232 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.922 8.951 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.437 8.211 0.001 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.331 8.984 1.162 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.193 12.415 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE U 1 1.046 11.735 -1.938 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.058 10.652 -1.057 1.00 0.00 H new ATOM 1165 N HIS U 2 4.789 8.504 1.781 1.00 0.00 N ATOM 1166 CA HIS U 2 5.693 7.356 1.628 1.00 0.00 C ATOM 1167 C HIS U 2 4.867 6.078 1.647 1.00 0.00 C ATOM 1168 O HIS U 2 4.167 5.801 2.623 1.00 0.00 O ATOM 1169 CB HIS U 2 6.709 7.323 2.792 1.00 0.00 C ATOM 1170 CG HIS U 2 7.924 8.161 2.470 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.194 7.610 2.352 1.00 0.00 N ATOM 1172 CD2 HIS U 2 8.081 9.510 2.260 1.00 0.00 C ATOM 1173 CE1 HIS U 2 10.047 8.616 2.083 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.421 9.794 2.017 1.00 0.00 N ATOM 0 H HIS U 2 4.352 8.594 2.698 1.00 0.00 H new ATOM 0 HA HIS U 2 6.235 7.442 0.686 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.238 7.693 3.702 1.00 0.00 H new ATOM 0 HB3 HIS U 2 7.013 6.294 2.986 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.285 10.239 2.281 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.109 8.486 1.938 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.836 10.706 1.829 1.00 0.00 H new ATOM 1182 N VAL U 3 4.989 5.278 0.589 1.00 0.00 N ATOM 1183 CA VAL U 3 4.286 4.000 0.519 1.00 0.00 C ATOM 1184 C VAL U 3 5.299 2.855 0.477 1.00 0.00 C ATOM 1185 O VAL U 3 6.179 2.826 -0.396 1.00 0.00 O ATOM 1186 CB VAL U 3 3.386 3.967 -0.717 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.662 2.621 -0.756 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.355 5.121 -0.653 1.00 0.00 C ATOM 0 H VAL U 3 5.564 5.491 -0.226 1.00 0.00 H new ATOM 0 HA VAL U 3 3.662 3.882 1.405 1.00 0.00 H new ATOM 0 HB VAL U 3 3.988 4.091 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.015 2.581 -1.632 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.394 1.815 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.060 2.506 0.145 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.718 5.090 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.741 5.011 0.241 1.00 0.00 H new ATOM 0 HG23 VAL U 3 2.879 6.076 -0.617 1.00 0.00 H new ATOM 1198 N HIS U 4 5.170 1.903 1.398 1.00 0.00 N ATOM 1199 CA HIS U 4 6.085 0.751 1.439 1.00 0.00 C ATOM 1200 C HIS U 4 5.290 -0.537 1.211 1.00 0.00 C ATOM 1201 O HIS U 4 4.268 -0.752 1.864 1.00 0.00 O ATOM 1202 CB HIS U 4 6.811 0.711 2.812 1.00 0.00 C ATOM 1203 CG HIS U 4 7.591 2.007 3.069 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.641 2.630 4.328 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.351 2.813 2.242 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.390 3.740 4.205 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.846 3.901 2.961 1.00 0.00 N ATOM 0 H HIS U 4 4.451 1.900 2.121 1.00 0.00 H new ATOM 0 HA HIS U 4 6.834 0.845 0.653 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.081 0.560 3.607 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.494 -0.138 2.840 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.534 2.628 1.194 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.598 4.421 5.017 1.00 0.00 H new ATOM 1214 N LEU U 5 5.749 -1.389 0.283 1.00 0.00 N ATOM 1215 CA LEU U 5 5.040 -2.646 -0.014 1.00 0.00 C ATOM 1216 C LEU U 5 5.924 -3.839 0.356 1.00 0.00 C ATOM 1217 O LEU U 5 6.987 -4.031 -0.234 1.00 0.00 O ATOM 1218 CB LEU U 5 4.700 -2.676 -1.511 1.00 0.00 C ATOM 1219 CG LEU U 5 3.456 -3.516 -1.766 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.187 -3.577 -3.270 1.00 0.00 C ATOM 1221 CD2 LEU U 5 3.664 -4.923 -1.234 1.00 0.00 C ATOM 0 H LEU U 5 6.594 -1.237 -0.268 1.00 0.00 H new ATOM 0 HA LEU U 5 4.121 -2.705 0.569 1.00 0.00 H new ATOM 0 HB2 LEU U 5 4.539 -1.660 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU U 5 5.541 -3.084 -2.071 1.00 0.00 H new ATOM 0 HG LEU U 5 2.605 -3.063 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.297 -4.178 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU U 5 3.031 -2.568 -3.653 1.00 0.00 H new ATOM 0 HD13 LEU U 5 4.041 -4.028 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU U 5 2.770 -5.518 -1.420 1.00 0.00 H new ATOM 0 HD22 LEU U 5 4.516 -5.380 -1.738 1.00 0.00 H new ATOM 0 HD23 LEU U 5 3.856 -4.882 -0.162 1.00 0.00 H new ATOM 1233 N GLN U 6 5.484 -4.638 1.333 1.00 0.00 N ATOM 1234 CA GLN U 6 6.254 -5.809 1.766 1.00 0.00 C ATOM 1235 C GLN U 6 5.330 -7.007 1.978 1.00 0.00 C ATOM 1236 O GLN U 6 4.414 -6.970 2.812 1.00 0.00 O ATOM 1237 CB GLN U 6 6.998 -5.482 3.069 1.00 0.00 C ATOM 1238 CG GLN U 6 7.911 -6.651 3.459 1.00 0.00 C ATOM 1239 CD GLN U 6 8.585 -6.375 4.803 1.00 0.00 C ATOM 1240 OE1 GLN U 6 7.913 -6.254 5.835 1.00 0.00 O ATOM 1241 NE2 GLN U 6 9.887 -6.260 4.849 1.00 0.00 N ATOM 0 H GLN U 6 4.607 -4.498 1.835 1.00 0.00 H new ATOM 0 HA GLN U 6 6.977 -6.063 0.991 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.589 -4.575 2.942 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.282 -5.287 3.867 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.329 -7.571 3.519 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.668 -6.802 2.689 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.438 -6.360 3.997 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.351 -6.070 5.737 1.00 0.00 H new ATOM 1250 N ILE U 7 5.573 -8.080 1.222 1.00 0.00 N ATOM 1251 CA ILE U 7 4.746 -9.288 1.343 1.00 0.00 C ATOM 1252 C ILE U 7 5.608 -10.547 1.252 1.00 0.00 C ATOM 1253 O ILE U 7 6.698 -10.456 0.709 1.00 0.00 O ATOM 1254 CB ILE U 7 3.663 -9.273 0.249 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.267 -9.759 -1.079 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.145 -7.850 0.094 1.00 0.00 C ATOM 1257 CD1 ILE U 7 3.332 -9.434 -2.241 1.00 0.00 C ATOM 1258 OXT ILE U 7 5.164 -11.580 1.723 1.00 0.00 O ATOM 0 H ILE U 7 6.321 -8.141 0.531 1.00 0.00 H new ATOM 0 HA ILE U 7 4.261 -9.298 2.319 1.00 0.00 H new ATOM 0 HB ILE U 7 2.842 -9.934 0.526 1.00 0.00 H new ATOM 0 HG12 ILE U 7 5.235 -9.285 -1.240 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.441 -10.834 -1.034 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.376 -7.825 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE U 7 2.720 -7.512 1.039 1.00 0.00 H new ATOM 0 HG23 ILE U 7 3.967 -7.193 -0.190 1.00 0.00 H new ATOM 0 HD11 ILE U 7 3.775 -9.785 -3.173 1.00 0.00 H new ATOM 0 HD12 ILE U 7 2.373 -9.929 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE U 7 3.179 -8.356 -2.295 1.00 0.00 H new TER 1270 ILE U 7 ATOM 1271 N ILE W 1 7.094 11.631 -3.356 1.00 0.00 N ATOM 1272 CA ILE W 1 6.641 10.373 -2.697 1.00 0.00 C ATOM 1273 C ILE W 1 7.656 9.267 -2.944 1.00 0.00 C ATOM 1274 O ILE W 1 8.319 9.227 -3.984 1.00 0.00 O ATOM 1275 CB ILE W 1 5.260 9.967 -3.258 1.00 0.00 C ATOM 1276 CG1 ILE W 1 5.080 8.437 -3.227 1.00 0.00 C ATOM 1277 CG2 ILE W 1 5.121 10.442 -4.700 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.625 8.099 -3.465 1.00 0.00 C ATOM 0 H1 ILE W 1 6.321 12.326 -3.346 1.00 0.00 H new ATOM 0 H2 ILE W 1 7.913 12.016 -2.843 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.365 11.429 -4.339 1.00 0.00 H new ATOM 0 HA ILE W 1 6.555 10.535 -1.623 1.00 0.00 H new ATOM 0 HB ILE W 1 4.498 10.432 -2.633 1.00 0.00 H new ATOM 0 HG12 ILE W 1 5.703 7.971 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.404 8.041 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE W 1 4.144 10.151 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.217 11.527 -4.736 1.00 0.00 H new ATOM 0 HG23 ILE W 1 5.902 9.988 -5.310 1.00 0.00 H new ATOM 0 HD11 ILE W 1 3.495 7.017 -3.444 1.00 0.00 H new ATOM 0 HD12 ILE W 1 3.014 8.554 -2.685 1.00 0.00 H new ATOM 0 HD13 ILE W 1 3.317 8.482 -4.438 1.00 0.00 H new ATOM 1292 N HIS W 2 7.730 8.338 -1.992 1.00 0.00 N ATOM 1293 CA HIS W 2 8.610 7.201 -2.123 1.00 0.00 C ATOM 1294 C HIS W 2 7.774 5.926 -2.224 1.00 0.00 C ATOM 1295 O HIS W 2 7.005 5.621 -1.311 1.00 0.00 O ATOM 1296 CB HIS W 2 9.486 7.150 -0.856 1.00 0.00 C ATOM 1297 CG HIS W 2 10.221 5.845 -0.773 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.518 5.205 0.440 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.753 5.064 -1.748 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.206 4.091 0.146 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.381 3.954 -1.172 1.00 0.00 N ATOM 0 H HIS W 2 7.189 8.359 -1.128 1.00 0.00 H new ATOM 0 HA HIS W 2 9.230 7.285 -3.015 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.199 7.975 -0.867 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.863 7.279 0.029 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.700 5.268 -2.807 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.573 3.392 0.883 1.00 0.00 H new ATOM 1308 N VAL W 3 7.963 5.152 -3.297 1.00 0.00 N ATOM 1309 CA VAL W 3 7.251 3.876 -3.448 1.00 0.00 C ATOM 1310 C VAL W 3 8.253 2.740 -3.481 1.00 0.00 C ATOM 1311 O VAL W 3 9.114 2.711 -4.362 1.00 0.00 O ATOM 1312 CB VAL W 3 6.444 3.860 -4.748 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.751 2.505 -4.892 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.393 4.974 -4.722 1.00 0.00 C ATOM 0 H VAL W 3 8.594 5.381 -4.065 1.00 0.00 H new ATOM 0 HA VAL W 3 6.572 3.757 -2.604 1.00 0.00 H new ATOM 0 HB VAL W 3 7.113 4.023 -5.593 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.174 2.488 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.500 1.714 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL W 3 5.083 2.346 -4.045 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.822 4.957 -5.650 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.720 4.819 -3.879 1.00 0.00 H new ATOM 0 HG23 VAL W 3 5.888 5.939 -4.618 1.00 0.00 H new ATOM 1324 N HIS W 4 8.130 1.784 -2.559 1.00 0.00 N ATOM 1325 CA HIS W 4 9.019 0.648 -2.546 1.00 0.00 C ATOM 1326 C HIS W 4 8.254 -0.649 -2.748 1.00 0.00 C ATOM 1327 O HIS W 4 7.249 -0.888 -2.077 1.00 0.00 O ATOM 1328 CB HIS W 4 9.807 0.653 -1.223 1.00 0.00 C ATOM 1329 CG HIS W 4 11.058 -0.168 -1.369 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.361 0.359 -1.277 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.204 -1.493 -1.593 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.211 -0.667 -1.444 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.561 -1.819 -1.637 1.00 0.00 N ATOM 0 H HIS W 4 7.425 1.783 -1.822 1.00 0.00 H new ATOM 0 HA HIS W 4 9.722 0.721 -3.376 1.00 0.00 H new ATOM 0 HB2 HIS W 4 10.063 1.676 -0.946 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.189 0.251 -0.420 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.393 -2.194 -1.719 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.287 -0.573 -1.425 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.970 -2.742 -1.785 1.00 0.00 H new ATOM 1341 N LEU W 5 8.732 -1.491 -3.673 1.00 0.00 N ATOM 1342 CA LEU W 5 8.070 -2.770 -3.939 1.00 0.00 C ATOM 1343 C LEU W 5 8.971 -3.930 -3.554 1.00 0.00 C ATOM 1344 O LEU W 5 9.985 -4.175 -4.205 1.00 0.00 O ATOM 1345 CB LEU W 5 7.711 -2.884 -5.416 1.00 0.00 C ATOM 1346 CG LEU W 5 6.958 -1.625 -5.863 1.00 0.00 C ATOM 1347 CD1 LEU W 5 6.575 -1.742 -7.351 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.700 -1.446 -4.999 1.00 0.00 C ATOM 0 H LEU W 5 9.561 -1.313 -4.240 1.00 0.00 H new ATOM 0 HA LEU W 5 7.160 -2.809 -3.340 1.00 0.00 H new ATOM 0 HB2 LEU W 5 8.615 -3.009 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU W 5 7.094 -3.767 -5.583 1.00 0.00 H new ATOM 0 HG LEU W 5 7.601 -0.754 -5.738 1.00 0.00 H new ATOM 0 HD11 LEU W 5 6.041 -0.844 -7.661 1.00 0.00 H new ATOM 0 HD12 LEU W 5 7.478 -1.852 -7.952 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.935 -2.613 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU W 5 5.165 -0.551 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU W 5 5.053 -2.316 -5.114 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.989 -1.344 -3.953 1.00 0.00 H new ATOM 1360 N GLN W 6 8.581 -4.665 -2.510 1.00 0.00 N ATOM 1361 CA GLN W 6 9.353 -5.825 -2.068 1.00 0.00 C ATOM 1362 C GLN W 6 8.428 -7.026 -1.934 1.00 0.00 C ATOM 1363 O GLN W 6 7.633 -7.135 -0.983 1.00 0.00 O ATOM 1364 CB GLN W 6 10.043 -5.528 -0.734 1.00 0.00 C ATOM 1365 CG GLN W 6 10.962 -6.694 -0.371 1.00 0.00 C ATOM 1366 CD GLN W 6 11.598 -6.455 0.991 1.00 0.00 C ATOM 1367 OE1 GLN W 6 10.907 -6.427 2.012 1.00 0.00 O ATOM 1368 NE2 GLN W 6 12.887 -6.254 1.060 1.00 0.00 N ATOM 0 H GLN W 6 7.742 -4.479 -1.960 1.00 0.00 H new ATOM 0 HA GLN W 6 10.123 -6.048 -2.806 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.618 -4.605 -0.806 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.299 -5.379 0.048 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.394 -7.624 -0.357 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.738 -6.805 -1.129 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.453 -6.278 0.212 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.327 -6.073 1.962 1.00 0.00 H new ATOM 1377 N ILE W 7 8.532 -7.925 -2.911 1.00 0.00 N ATOM 1378 CA ILE W 7 7.703 -9.128 -2.940 1.00 0.00 C ATOM 1379 C ILE W 7 8.488 -10.304 -3.518 1.00 0.00 C ATOM 1380 O ILE W 7 7.877 -11.321 -3.795 1.00 0.00 O ATOM 1381 CB ILE W 7 6.437 -8.847 -3.774 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.739 -8.941 -5.299 1.00 0.00 C ATOM 1383 CG2 ILE W 7 5.929 -7.438 -3.453 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.513 -10.364 -5.848 1.00 0.00 C ATOM 1385 OXT ILE W 7 9.692 -10.173 -3.661 1.00 0.00 O ATOM 0 H ILE W 7 9.182 -7.843 -3.693 1.00 0.00 H new ATOM 0 HA ILE W 7 7.409 -9.394 -1.925 1.00 0.00 H new ATOM 0 HB ILE W 7 5.684 -9.593 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE W 7 6.102 -8.239 -5.838 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.771 -8.641 -5.483 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.033 -7.232 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE W 7 5.691 -7.370 -2.391 1.00 0.00 H new ATOM 0 HG23 ILE W 7 6.700 -6.708 -3.700 1.00 0.00 H new ATOM 0 HD11 ILE W 7 6.736 -10.382 -6.915 1.00 0.00 H new ATOM 0 HD12 ILE W 7 7.169 -11.063 -5.329 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.475 -10.655 -5.689 1.00 0.00 H new TER 1397 ILE W 7 ATOM 1398 N ILE Y 1 9.908 12.013 -7.109 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.210 10.705 -6.963 1.00 0.00 C ATOM 1400 C ILE Y 1 10.217 9.580 -7.130 1.00 0.00 C ATOM 1401 O ILE Y 1 10.779 9.411 -8.212 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.143 10.573 -8.052 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.121 11.698 -7.888 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.450 9.212 -7.927 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.209 11.729 -9.108 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.395 12.742 -6.574 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.878 11.932 -6.742 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.940 12.279 -8.114 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.745 10.650 -5.979 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.606 10.645 -9.036 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.533 11.542 -6.984 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.631 12.655 -7.776 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.690 9.118 -8.703 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.186 8.417 -8.042 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 6.980 9.132 -6.947 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.478 12.530 -8.996 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.805 11.905 -10.004 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.690 10.775 -9.199 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.430 8.789 -6.076 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.364 7.664 -6.177 1.00 0.00 C ATOM 1421 C HIS Y 2 10.571 6.363 -6.197 1.00 0.00 C ATOM 1422 O HIS Y 2 9.816 6.074 -5.267 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.309 7.660 -4.955 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.521 8.523 -5.206 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.805 7.993 -5.248 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.667 9.875 -5.403 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.656 9.015 -5.460 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.014 10.183 -5.561 1.00 0.00 N ATOM 0 H HIS Y 2 9.983 8.900 -5.166 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.952 7.760 -7.090 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.775 8.023 -4.077 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.624 6.639 -4.737 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.858 10.590 -5.431 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.727 8.904 -5.539 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.424 11.103 -5.720 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.780 5.564 -7.240 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.116 4.267 -7.356 1.00 0.00 C ATOM 1438 C VAL Y 3 11.166 3.155 -7.319 1.00 0.00 C ATOM 1439 O VAL Y 3 12.102 3.166 -8.121 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.323 4.206 -8.667 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.632 2.847 -8.766 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.269 5.332 -8.701 1.00 0.00 C ATOM 0 H VAL Y 3 11.402 5.790 -8.016 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.425 4.133 -6.523 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.002 4.338 -9.510 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.065 2.794 -9.695 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.382 2.056 -8.752 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 7.956 2.720 -7.921 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.711 5.280 -9.636 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.583 5.214 -7.862 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.767 6.299 -8.629 1.00 0.00 H new ATOM 1452 N HIS Y 4 11.015 2.189 -6.408 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.975 1.069 -6.316 1.00 0.00 C ATOM 1454 C HIS Y 4 11.251 -0.249 -6.600 1.00 0.00 C ATOM 1455 O HIS Y 4 10.197 -0.512 -6.015 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.623 1.040 -4.903 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.337 2.354 -4.587 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.297 2.951 -3.315 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.108 3.199 -5.361 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 14.014 4.091 -3.380 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.528 4.289 -4.599 1.00 0.00 N ATOM 0 H HIS Y 4 10.253 2.153 -5.731 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.764 1.206 -7.055 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.855 0.853 -4.153 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.333 0.215 -4.844 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.350 3.039 -6.401 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.156 4.764 -2.547 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.805 -1.074 -7.501 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.170 -2.356 -7.854 1.00 0.00 C ATOM 1470 C LEU Y 5 12.060 -3.521 -7.406 1.00 0.00 C ATOM 1471 O LEU Y 5 13.178 -3.678 -7.898 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.963 -2.391 -9.379 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.756 -3.257 -9.736 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.585 -3.302 -11.257 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 9.954 -4.664 -9.199 1.00 0.00 C ATOM 0 H LEU Y 5 12.678 -0.882 -7.993 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.208 -2.452 -7.351 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 10.816 -1.379 -9.755 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 11.856 -2.784 -9.864 1.00 0.00 H new ATOM 0 HG LEU Y 5 8.861 -2.827 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.723 -3.920 -11.508 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 9.429 -2.292 -11.636 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 10.481 -3.726 -11.711 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 9.090 -5.277 -9.457 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 10.851 -5.099 -9.639 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 10.063 -4.628 -8.115 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.562 -4.338 -6.470 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.331 -5.485 -5.971 1.00 0.00 C ATOM 1489 C GLN Y 6 11.421 -6.706 -5.810 1.00 0.00 C ATOM 1490 O GLN Y 6 10.444 -6.684 -5.049 1.00 0.00 O ATOM 1491 CB GLN Y 6 12.984 -5.128 -4.627 1.00 0.00 C ATOM 1492 CG GLN Y 6 13.913 -6.262 -4.176 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.495 -5.956 -2.793 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 13.756 -5.845 -1.811 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 15.785 -5.804 -2.658 1.00 0.00 N ATOM 0 H GLN Y 6 10.640 -4.229 -6.047 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.111 -5.728 -6.692 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.549 -4.201 -4.723 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.215 -4.956 -3.874 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.362 -7.202 -4.146 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 14.720 -6.388 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.397 -5.896 -3.469 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.181 -5.594 -1.742 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.746 -7.773 -6.539 1.00 0.00 N ATOM 1505 CA ILE Y 7 10.954 -9.001 -6.492 1.00 0.00 C ATOM 1506 C ILE Y 7 11.866 -10.226 -6.509 1.00 0.00 C ATOM 1507 O ILE Y 7 12.994 -10.094 -6.958 1.00 0.00 O ATOM 1508 CB ILE Y 7 9.987 -9.015 -7.688 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.736 -9.388 -8.983 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.375 -7.631 -7.842 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.827 -9.189 -10.203 1.00 0.00 C ATOM 1512 OXT ILE Y 7 11.422 -11.277 -6.079 1.00 0.00 O ATOM 0 H ILE Y 7 12.549 -7.812 -7.167 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.379 -9.033 -5.567 1.00 0.00 H new ATOM 0 HB ILE Y 7 9.208 -9.756 -7.509 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 11.630 -8.773 -9.084 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 11.067 -10.425 -8.933 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.687 -7.629 -8.688 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 8.833 -7.370 -6.933 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 10.165 -6.901 -8.016 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 10.370 -9.457 -11.109 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 8.946 -9.824 -10.108 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.518 -8.145 -10.260 1.00 0.00 H new TER 1524 ILE Y 7 HETATM 1525 ZN ZN A 101 -13.943 -1.756 2.647 1.00 0.00 ZN HETATM 1526 ZN ZN C 101 -11.059 -5.619 -1.244 1.00 0.00 ZN HETATM 1527 ZN ZN E 101 -8.157 -2.088 -5.052 1.00 0.00 ZN HETATM 1528 ZN ZN G 101 -5.035 -5.776 -9.022 1.00 0.00 ZN HETATM 1529 ZN ZN I 101 -2.207 -2.218 -12.860 1.00 0.00 ZN HETATM 1530 ZN ZN K 101 0.997 -5.559 -16.596 1.00 0.00 ZN HETATM 1531 ZN ZN O 101 1.268 1.711 13.823 1.00 0.00 ZN HETATM 1532 ZN ZN Q 101 4.109 5.502 10.077 1.00 0.00 ZN HETATM 1533 ZN ZN S 101 6.968 2.002 6.255 1.00 0.00 ZN HETATM 1534 ZN ZN U 101 9.748 5.631 2.199 1.00 0.00 ZN HETATM 1535 ZN ZN W 101 12.612 2.319 -1.281 1.00 0.00 ZN HETATM 1536 ZN ZN Y 101 15.339 5.904 -5.267 1.00 0.00 ZN