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= 0.586 K(o=2.2,f=1.1) USER MOD Set 1.2: Q 6 GLN : amide:sc= 0.754 K(o=2.2,f=-2.9!) USER MOD Set 1.3: S 6 GLN : amide:sc= 0.372 K(o=2.2,f=-6.9!) USER MOD Set 1.4: U 6 GLN : amide:sc= 0.396 K(o=2.2,f=-7.7!) USER MOD Set 1.5: W 6 GLN : amide:sc= 0.196 K(o=2.2,f=-7.5!) USER MOD Set 1.6: Y 6 GLN : amide:sc= -0.111 K(o=2.2,f=-9.3!) USER MOD Set 2.1: A 6 GLN : amide:sc= 0.77 K(o=2.1,f=0.61) USER MOD Set 2.2: C 6 GLN : amide:sc= 0.634 K(o=2.1,f=-3.9!) USER MOD Set 2.3: E 6 GLN : amide:sc= 0.358 K(o=2.1,f=-7.9!) USER MOD Set 2.4: G 6 GLN : amide:sc= 0.477 K(o=2.1,f=-7.5!) USER MOD Set 2.5: I 6 GLN : amide:sc= 0.047 K(o=2.1,f=-7.6!) USER MOD Set 2.6: K 6 GLN : amide:sc= -0.219 K(o=2.1,f=-8!) USER MOD Single : A 1 ILE N :NH3+ -154:sc= -0.184 (180deg=-1.02) USER MOD Single : C 1 ILE N :NH3+ -152:sc= -0.177 (180deg=-1.13) USER MOD Single : E 1 ILE N :NH3+ -131:sc= -0.149 (180deg=-0.95) USER MOD Single : G 1 ILE N :NH3+ -151:sc= -0.236 (180deg=-1.19) USER MOD Single : I 1 ILE N :NH3+ -152:sc= -0.165 (180deg=-0.955) USER MOD Single : K 1 ILE N :NH3+ -137:sc= -0.179 (180deg=-1.14!) USER MOD Single : O 1 ILE N :NH3+ -151:sc= -0.199 (180deg=-1) USER MOD Single : Q 1 ILE N :NH3+ -150:sc= -0.235 (180deg=-1.14!) USER MOD Single : S 1 ILE N :NH3+ -152:sc= -0.181 (180deg=-0.962) USER MOD Single : U 1 ILE N :NH3+ -155:sc= -0.2 (180deg=-1.18) USER MOD Single : W 1 ILE N :NH3+ -153:sc= -0.175 (180deg=-0.906) USER MOD Single : Y 1 ILE N :NH3+ -151:sc= -0.161 (180deg=-1.22!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -10.857 -11.799 6.951 1.00 0.00 N ATOM 2 CA ILE A 1 -11.015 -10.573 7.782 1.00 0.00 C ATOM 3 C ILE A 1 -11.019 -9.341 6.876 1.00 0.00 C ATOM 4 O ILE A 1 -10.117 -9.155 6.052 1.00 0.00 O ATOM 5 CB ILE A 1 -9.856 -10.486 8.785 1.00 0.00 C ATOM 6 CG1 ILE A 1 -9.914 -11.689 9.735 1.00 0.00 C ATOM 7 CG2 ILE A 1 -9.975 -9.191 9.593 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.621 -11.762 10.550 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.278 -12.611 7.446 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.337 -11.664 6.038 1.00 0.00 H new ATOM 0 H3 ILE A 1 -9.846 -11.980 6.787 1.00 0.00 H new ATOM 0 HA ILE A 1 -11.958 -10.616 8.328 1.00 0.00 H new ATOM 0 HB ILE A 1 -8.908 -10.491 8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.771 -11.598 10.402 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.049 -12.609 9.166 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.152 -9.129 10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -9.935 -8.336 8.918 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -10.922 -9.184 10.132 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -8.664 -12.617 11.224 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -7.772 -11.874 9.876 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.505 -10.847 11.131 1.00 0.00 H new ATOM 22 N HIS A 2 -12.039 -8.494 7.032 1.00 0.00 N ATOM 23 CA HIS A 2 -12.140 -7.294 6.244 1.00 0.00 C ATOM 24 C HIS A 2 -11.975 -6.086 7.159 1.00 0.00 C ATOM 25 O HIS A 2 -12.747 -5.909 8.100 1.00 0.00 O ATOM 26 CB HIS A 2 -13.552 -7.312 5.621 1.00 0.00 C ATOM 27 CG HIS A 2 -13.947 -5.964 5.093 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.275 -5.520 5.086 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.217 -4.974 4.509 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.293 -4.311 4.510 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.075 -3.922 4.135 1.00 0.00 N ATOM 0 H HIS A 2 -12.799 -8.629 7.699 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.374 -7.239 5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.583 -8.042 4.812 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.275 -7.635 6.370 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.082 -6.025 5.453 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.148 -4.993 4.357 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.187 -3.722 4.367 1.00 0.00 H new ATOM 38 N VAL A 3 -10.990 -5.235 6.856 1.00 0.00 N ATOM 39 CA VAL A 3 -10.766 -4.018 7.642 1.00 0.00 C ATOM 40 C VAL A 3 -10.946 -2.800 6.757 1.00 0.00 C ATOM 41 O VAL A 3 -10.261 -2.668 5.743 1.00 0.00 O ATOM 42 CB VAL A 3 -9.356 -4.031 8.234 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.142 -2.754 9.059 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.188 -5.275 9.129 1.00 0.00 C ATOM 0 H VAL A 3 -10.341 -5.364 6.080 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.489 -3.979 8.457 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.618 -4.068 7.433 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.138 -2.759 9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.260 -1.882 8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.876 -2.714 9.864 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.183 -5.286 9.552 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.921 -5.245 9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.341 -6.175 8.533 1.00 0.00 H new ATOM 54 N HIS A 4 -11.854 -1.905 7.135 1.00 0.00 N ATOM 55 CA HIS A 4 -12.088 -0.710 6.369 1.00 0.00 C ATOM 56 C HIS A 4 -11.782 0.553 7.167 1.00 0.00 C ATOM 57 O HIS A 4 -12.243 0.717 8.297 1.00 0.00 O ATOM 58 CB HIS A 4 -13.546 -0.725 5.876 1.00 0.00 C ATOM 59 CG HIS A 4 -13.691 0.199 4.701 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.034 -0.227 3.406 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.536 1.541 4.628 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.067 0.868 2.628 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.775 1.974 3.323 1.00 0.00 N ATOM 0 H HIS A 4 -12.434 -1.995 7.969 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.410 -0.696 5.515 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.834 -1.737 5.593 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.215 -0.416 6.679 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.268 2.181 5.455 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.300 0.857 1.573 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.736 2.931 2.973 1.00 0.00 H new ATOM 71 N LEU A 5 -11.022 1.459 6.552 1.00 0.00 N ATOM 72 CA LEU A 5 -10.672 2.736 7.177 1.00 0.00 C ATOM 73 C LEU A 5 -11.220 3.880 6.336 1.00 0.00 C ATOM 74 O LEU A 5 -10.872 4.023 5.164 1.00 0.00 O ATOM 75 CB LEU A 5 -9.146 2.862 7.301 1.00 0.00 C ATOM 76 CG LEU A 5 -8.757 4.271 7.769 1.00 0.00 C ATOM 77 CD1 LEU A 5 -9.379 4.551 9.142 1.00 0.00 C ATOM 78 CD2 LEU A 5 -7.229 4.365 7.854 1.00 0.00 C ATOM 0 H LEU A 5 -10.635 1.332 5.617 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.110 2.779 8.174 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.771 2.122 8.007 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.679 2.650 6.339 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.127 5.011 7.060 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.100 5.552 9.470 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.464 4.482 9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.015 3.818 9.862 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.944 5.363 8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -6.858 3.627 8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.797 4.172 6.872 1.00 0.00 H new ATOM 90 N GLN A 6 -12.056 4.711 6.948 1.00 0.00 N ATOM 91 CA GLN A 6 -12.622 5.864 6.256 1.00 0.00 C ATOM 92 C GLN A 6 -12.601 7.066 7.189 1.00 0.00 C ATOM 93 O GLN A 6 -13.378 7.139 8.141 1.00 0.00 O ATOM 94 CB GLN A 6 -14.055 5.562 5.807 1.00 0.00 C ATOM 95 CG GLN A 6 -14.587 6.732 4.976 1.00 0.00 C ATOM 96 CD GLN A 6 -16.044 6.487 4.600 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.902 6.369 5.474 1.00 0.00 O ATOM 98 NE2 GLN A 6 -16.373 6.399 3.340 1.00 0.00 N ATOM 0 H GLN A 6 -12.356 4.609 7.918 1.00 0.00 H new ATOM 0 HA GLN A 6 -12.027 6.084 5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.077 4.645 5.219 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.693 5.399 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.500 7.659 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.986 6.851 4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.659 6.497 2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.344 6.232 3.077 1.00 0.00 H new ATOM 107 N ILE A 7 -11.699 8.012 6.915 1.00 0.00 N ATOM 108 CA ILE A 7 -11.581 9.214 7.749 1.00 0.00 C ATOM 109 C ILE A 7 -11.543 10.460 6.865 1.00 0.00 C ATOM 110 O ILE A 7 -11.316 10.309 5.674 1.00 0.00 O ATOM 111 CB ILE A 7 -10.314 9.115 8.642 1.00 0.00 C ATOM 112 CG1 ILE A 7 -9.090 9.707 7.913 1.00 0.00 C ATOM 113 CG2 ILE A 7 -10.055 7.650 8.996 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.784 9.295 8.611 1.00 0.00 C ATOM 115 OXT ILE A 7 -11.743 11.541 7.390 1.00 0.00 O ATOM 0 H ILE A 7 -11.046 7.972 6.132 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.450 9.291 8.403 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.479 9.687 9.555 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.078 9.365 6.878 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.167 10.794 7.889 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.166 7.579 9.623 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.913 7.249 9.536 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.901 7.076 8.082 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.936 9.725 8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.790 9.659 9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.699 8.208 8.612 1.00 0.00 H new TER 127 ILE A 7 ATOM 128 N ILE C 1 -7.901 -11.725 3.194 1.00 0.00 N ATOM 129 CA ILE C 1 -7.971 -10.474 4.000 1.00 0.00 C ATOM 130 C ILE C 1 -8.066 -9.277 3.063 1.00 0.00 C ATOM 131 O ILE C 1 -7.198 -9.072 2.205 1.00 0.00 O ATOM 132 CB ILE C 1 -6.713 -10.355 4.871 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.659 -11.547 5.831 1.00 0.00 C ATOM 134 CG2 ILE C 1 -6.767 -9.056 5.676 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.288 -11.605 6.503 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.301 -12.514 3.742 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.444 -11.603 2.316 1.00 0.00 H new ATOM 0 H3 ILE C 1 -6.909 -11.933 2.961 1.00 0.00 H new ATOM 0 HA ILE C 1 -8.850 -10.500 4.644 1.00 0.00 H new ATOM 0 HB ILE C 1 -5.826 -10.348 4.237 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.441 -11.455 6.585 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -6.848 -12.473 5.288 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -5.873 -8.973 6.294 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -6.817 -8.207 4.994 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -7.650 -9.060 6.315 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.253 -12.454 7.185 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.515 -11.718 5.743 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.117 -10.684 7.061 1.00 0.00 H new ATOM 149 N HIS C 2 -9.117 -8.471 3.226 1.00 0.00 N ATOM 150 CA HIS C 2 -9.271 -7.279 2.387 1.00 0.00 C ATOM 151 C HIS C 2 -9.078 -6.040 3.250 1.00 0.00 C ATOM 152 O HIS C 2 -9.798 -5.842 4.229 1.00 0.00 O ATOM 153 CB HIS C 2 -10.684 -7.257 1.758 1.00 0.00 C ATOM 154 CG HIS C 2 -10.703 -8.017 0.449 1.00 0.00 C ATOM 155 ND1 HIS C 2 -10.980 -7.399 -0.765 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.498 -9.343 0.150 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.933 -8.342 -1.723 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.645 -9.544 -1.220 1.00 0.00 N ATOM 0 H HIS C 2 -9.857 -8.615 3.913 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.529 -7.295 1.589 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.402 -7.698 2.450 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -10.996 -6.226 1.590 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.259 -10.113 0.869 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.107 -8.150 -2.771 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.552 -10.422 -1.730 1.00 0.00 H new ATOM 166 N VAL C 3 -8.136 -5.184 2.856 1.00 0.00 N ATOM 167 CA VAL C 3 -7.896 -3.934 3.578 1.00 0.00 C ATOM 168 C VAL C 3 -8.225 -2.751 2.674 1.00 0.00 C ATOM 169 O VAL C 3 -7.675 -2.639 1.576 1.00 0.00 O ATOM 170 CB VAL C 3 -6.433 -3.861 4.023 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.197 -2.546 4.766 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.118 -5.040 4.955 1.00 0.00 C ATOM 0 H VAL C 3 -7.531 -5.330 2.048 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.535 -3.900 4.461 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.784 -3.910 3.149 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.156 -2.490 5.085 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.419 -1.709 4.104 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.847 -2.500 5.640 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.076 -4.986 5.271 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -6.765 -4.994 5.831 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.289 -5.978 4.426 1.00 0.00 H new ATOM 182 N HIS C 4 -9.097 -1.855 3.134 1.00 0.00 N ATOM 183 CA HIS C 4 -9.455 -0.669 2.341 1.00 0.00 C ATOM 184 C HIS C 4 -9.043 0.582 3.111 1.00 0.00 C ATOM 185 O HIS C 4 -9.372 0.711 4.291 1.00 0.00 O ATOM 186 CB HIS C 4 -10.984 -0.669 2.062 1.00 0.00 C ATOM 187 CG HIS C 4 -11.423 -1.947 1.337 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.618 -2.616 1.642 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.841 -2.693 0.328 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.700 -3.694 0.841 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.648 -3.792 0.024 1.00 0.00 N ATOM 0 H HIS C 4 -9.565 -1.921 4.038 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.934 -0.684 1.384 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.527 -0.579 3.003 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.245 0.201 1.459 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.902 -2.460 -0.153 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.520 -4.397 0.857 1.00 0.00 H new ATOM 198 N LEU C 5 -8.309 1.492 2.460 1.00 0.00 N ATOM 199 CA LEU C 5 -7.840 2.714 3.133 1.00 0.00 C ATOM 200 C LEU C 5 -8.306 3.948 2.376 1.00 0.00 C ATOM 201 O LEU C 5 -7.831 4.219 1.272 1.00 0.00 O ATOM 202 CB LEU C 5 -6.312 2.695 3.174 1.00 0.00 C ATOM 203 CG LEU C 5 -5.822 1.317 3.639 1.00 0.00 C ATOM 204 CD1 LEU C 5 -4.304 1.209 3.458 1.00 0.00 C ATOM 205 CD2 LEU C 5 -6.184 1.113 5.114 1.00 0.00 C ATOM 0 H LEU C 5 -8.029 1.410 1.483 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.248 2.748 4.143 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.910 2.920 2.186 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.947 3.468 3.850 1.00 0.00 H new ATOM 0 HG LEU C 5 -6.305 0.546 3.038 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -3.967 0.227 3.791 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -4.053 1.341 2.406 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -3.811 1.981 4.048 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.835 0.134 5.442 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -5.709 1.888 5.716 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -7.266 1.172 5.235 1.00 0.00 H new ATOM 217 N GLN C 6 -9.216 4.708 2.979 1.00 0.00 N ATOM 218 CA GLN C 6 -9.717 5.930 2.352 1.00 0.00 C ATOM 219 C GLN C 6 -9.573 7.089 3.327 1.00 0.00 C ATOM 220 O GLN C 6 -10.200 7.107 4.389 1.00 0.00 O ATOM 221 CB GLN C 6 -11.182 5.746 1.954 1.00 0.00 C ATOM 222 CG GLN C 6 -11.660 6.970 1.171 1.00 0.00 C ATOM 223 CD GLN C 6 -13.143 6.837 0.842 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.981 6.787 1.741 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.515 6.760 -0.406 1.00 0.00 N ATOM 0 H GLN C 6 -9.619 4.503 3.893 1.00 0.00 H new ATOM 0 HA GLN C 6 -9.139 6.146 1.453 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.294 4.847 1.347 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.796 5.609 2.844 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.489 7.874 1.755 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -11.083 7.071 0.251 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.818 6.802 -1.149 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.503 6.658 -0.638 1.00 0.00 H new ATOM 234 N ILE C 7 -8.733 8.055 2.970 1.00 0.00 N ATOM 235 CA ILE C 7 -8.506 9.209 3.836 1.00 0.00 C ATOM 236 C ILE C 7 -8.473 10.492 3.010 1.00 0.00 C ATOM 237 O ILE C 7 -7.945 11.477 3.499 1.00 0.00 O ATOM 238 CB ILE C 7 -7.185 9.022 4.608 1.00 0.00 C ATOM 239 CG1 ILE C 7 -6.001 8.988 3.632 1.00 0.00 C ATOM 240 CG2 ILE C 7 -7.230 7.696 5.386 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.679 9.007 4.408 1.00 0.00 C ATOM 242 OXT ILE C 7 -8.973 10.467 1.897 1.00 0.00 O ATOM 0 H ILE C 7 -8.203 8.064 2.098 1.00 0.00 H new ATOM 0 HA ILE C 7 -9.324 9.289 4.552 1.00 0.00 H new ATOM 0 HB ILE C 7 -7.059 9.856 5.298 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.056 8.093 3.013 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.049 9.844 2.959 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -6.296 7.563 5.932 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -8.062 7.715 6.089 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -7.363 6.869 4.688 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -3.845 8.983 3.707 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -4.622 9.915 5.008 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -4.629 8.137 5.062 1.00 0.00 H new TER 254 ILE C 7 ATOM 255 N ILE E 1 -5.181 -11.632 -0.919 1.00 0.00 N ATOM 256 CA ILE E 1 -5.219 -10.407 -0.072 1.00 0.00 C ATOM 257 C ILE E 1 -5.299 -9.177 -0.971 1.00 0.00 C ATOM 258 O ILE E 1 -4.483 -9.009 -1.885 1.00 0.00 O ATOM 259 CB ILE E 1 -3.951 -10.347 0.787 1.00 0.00 C ATOM 260 CG1 ILE E 1 -3.932 -11.544 1.743 1.00 0.00 C ATOM 261 CG2 ILE E 1 -3.943 -9.049 1.591 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.563 -11.645 2.418 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.881 -12.317 -0.570 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.404 -11.381 -1.903 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.232 -12.055 -0.876 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.092 -10.432 0.580 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.071 -10.379 0.145 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.712 -11.432 2.496 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.147 -12.462 1.196 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.042 -9.005 2.202 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -3.961 -8.199 0.909 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -4.821 -9.015 2.236 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.554 -12.498 3.097 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.792 -11.777 1.659 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.366 -10.732 2.980 1.00 0.00 H new ATOM 276 N HIS E 2 -6.282 -8.309 -0.706 1.00 0.00 N ATOM 277 CA HIS E 2 -6.438 -7.104 -1.488 1.00 0.00 C ATOM 278 C HIS E 2 -6.153 -5.898 -0.607 1.00 0.00 C ATOM 279 O HIS E 2 -6.825 -5.699 0.405 1.00 0.00 O ATOM 280 CB HIS E 2 -7.908 -7.068 -1.964 1.00 0.00 C ATOM 281 CG HIS E 2 -8.280 -5.710 -2.492 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.562 -5.150 -2.344 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.563 -4.807 -3.215 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.560 -3.970 -2.974 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.377 -3.703 -3.524 1.00 0.00 N ATOM 0 H HIS E 2 -6.969 -8.427 0.039 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.754 -7.086 -2.336 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.059 -7.816 -2.742 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.567 -7.331 -1.136 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.529 -4.921 -3.506 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.415 -3.313 -3.030 1.00 0.00 H new ATOM 292 N VAL E 3 -5.188 -5.069 -1.015 1.00 0.00 N ATOM 293 CA VAL E 3 -4.871 -3.850 -0.264 1.00 0.00 C ATOM 294 C VAL E 3 -5.117 -2.636 -1.141 1.00 0.00 C ATOM 295 O VAL E 3 -4.511 -2.520 -2.207 1.00 0.00 O ATOM 296 CB VAL E 3 -3.409 -3.877 0.183 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.103 -2.604 0.982 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.158 -5.121 1.053 1.00 0.00 C ATOM 0 H VAL E 3 -4.620 -5.216 -1.849 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.510 -3.796 0.618 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.757 -3.920 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.062 -2.618 1.303 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.278 -1.730 0.355 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.752 -2.558 1.856 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.115 -5.139 1.371 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.804 -5.088 1.930 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.376 -6.019 0.475 1.00 0.00 H new ATOM 308 N HIS E 4 -5.981 -1.722 -0.701 1.00 0.00 N ATOM 309 CA HIS E 4 -6.251 -0.532 -1.466 1.00 0.00 C ATOM 310 C HIS E 4 -5.872 0.735 -0.710 1.00 0.00 C ATOM 311 O HIS E 4 -6.271 0.929 0.441 1.00 0.00 O ATOM 312 CB HIS E 4 -7.739 -0.534 -1.853 1.00 0.00 C ATOM 313 CG HIS E 4 -7.959 0.387 -3.018 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.365 -0.043 -4.296 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.838 1.731 -3.096 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.468 1.052 -5.065 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.161 2.162 -4.384 1.00 0.00 N ATOM 0 H HIS E 4 -6.497 -1.793 0.176 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.635 -0.537 -2.365 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.057 -1.544 -2.111 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.346 -0.216 -1.005 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.536 2.375 -2.283 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.762 1.039 -6.104 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -8.163 3.121 -4.732 1.00 0.00 H new ATOM 325 N LEU E 5 -5.127 1.619 -1.383 1.00 0.00 N ATOM 326 CA LEU E 5 -4.719 2.894 -0.792 1.00 0.00 C ATOM 327 C LEU E 5 -5.299 4.052 -1.588 1.00 0.00 C ATOM 328 O LEU E 5 -5.018 4.204 -2.776 1.00 0.00 O ATOM 329 CB LEU E 5 -3.187 2.992 -0.753 1.00 0.00 C ATOM 330 CG LEU E 5 -2.743 4.394 -0.310 1.00 0.00 C ATOM 331 CD1 LEU E 5 -3.281 4.687 1.093 1.00 0.00 C ATOM 332 CD2 LEU E 5 -1.210 4.454 -0.305 1.00 0.00 C ATOM 0 H LEU E 5 -4.796 1.473 -2.337 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.100 2.946 0.228 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.787 2.245 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.778 2.770 -1.739 1.00 0.00 H new ATOM 0 HG LEU E 5 -3.135 5.140 -1.001 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -2.964 5.682 1.404 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -4.370 4.640 1.082 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -2.893 3.947 1.793 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -0.886 5.446 0.008 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -0.819 3.709 0.388 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -0.835 4.250 -1.308 1.00 0.00 H new ATOM 344 N GLN E 6 -6.092 4.886 -0.915 1.00 0.00 N ATOM 345 CA GLN E 6 -6.686 6.053 -1.558 1.00 0.00 C ATOM 346 C GLN E 6 -6.575 7.257 -0.629 1.00 0.00 C ATOM 347 O GLN E 6 -7.275 7.345 0.385 1.00 0.00 O ATOM 348 CB GLN E 6 -8.152 5.776 -1.904 1.00 0.00 C ATOM 349 CG GLN E 6 -8.721 6.955 -2.697 1.00 0.00 C ATOM 350 CD GLN E 6 -10.203 6.736 -2.975 1.00 0.00 C ATOM 351 OE1 GLN E 6 -11.007 6.636 -2.047 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.611 6.646 -4.211 1.00 0.00 N ATOM 0 H GLN E 6 -6.335 4.774 0.069 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.150 6.268 -2.483 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.232 4.859 -2.488 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.730 5.625 -0.992 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.581 7.880 -2.138 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -8.180 7.066 -3.637 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.942 6.729 -4.976 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.599 6.492 -4.412 1.00 0.00 H new ATOM 361 N ILE E 7 -5.682 8.187 -0.980 1.00 0.00 N ATOM 362 CA ILE E 7 -5.477 9.392 -0.165 1.00 0.00 C ATOM 363 C ILE E 7 -5.490 10.631 -1.059 1.00 0.00 C ATOM 364 O ILE E 7 -5.408 10.467 -2.266 1.00 0.00 O ATOM 365 CB ILE E 7 -4.144 9.278 0.622 1.00 0.00 C ATOM 366 CG1 ILE E 7 -2.970 9.861 -0.190 1.00 0.00 C ATOM 367 CG2 ILE E 7 -3.865 7.808 0.943 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.626 9.451 0.436 1.00 0.00 C ATOM 369 OXT ILE E 7 -5.582 11.722 -0.524 1.00 0.00 O ATOM 0 H ILE E 7 -5.095 8.132 -1.812 1.00 0.00 H new ATOM 0 HA ILE E 7 -6.288 9.486 0.557 1.00 0.00 H new ATOM 0 HB ILE E 7 -4.239 9.849 1.546 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.021 9.507 -1.220 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.047 10.948 -0.222 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -2.929 7.728 1.496 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -4.679 7.407 1.547 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -3.788 7.241 0.015 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -0.808 9.871 -0.150 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.571 9.827 1.458 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.545 8.364 0.444 1.00 0.00 H new TER 381 ILE E 7 ATOM 382 N ILE G 1 -1.891 -11.702 -4.578 1.00 0.00 N ATOM 383 CA ILE G 1 -1.905 -10.441 -3.784 1.00 0.00 C ATOM 384 C ILE G 1 -2.033 -9.257 -4.731 1.00 0.00 C ATOM 385 O ILE G 1 -1.170 -9.039 -5.591 1.00 0.00 O ATOM 386 CB ILE G 1 -0.596 -10.326 -2.995 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.486 -11.517 -2.037 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.593 -9.023 -2.195 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.928 -11.587 -1.461 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.288 -12.476 -4.008 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.463 -11.577 -5.438 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.913 -11.934 -4.844 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.747 -10.449 -3.092 1.00 0.00 H new ATOM 0 HB ILE G 1 0.250 -10.326 -3.682 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.213 -11.416 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.721 -12.442 -2.563 1.00 0.00 H new ATOM 0 HG21 ILE G 1 0.338 -8.942 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.680 -8.177 -2.877 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.435 -9.019 -1.503 1.00 0.00 H new ATOM 0 HD11 ILE G 1 1.002 -12.435 -0.780 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.646 -11.709 -2.272 1.00 0.00 H new ATOM 0 HD13 ILE G 1 1.146 -10.667 -0.919 1.00 0.00 H new ATOM 403 N HIS G 2 -3.101 -8.474 -4.567 1.00 0.00 N ATOM 404 CA HIS G 2 -3.290 -7.296 -5.414 1.00 0.00 C ATOM 405 C HIS G 2 -3.097 -6.043 -4.569 1.00 0.00 C ATOM 406 O HIS G 2 -3.791 -5.844 -3.570 1.00 0.00 O ATOM 407 CB HIS G 2 -4.717 -7.303 -6.010 1.00 0.00 C ATOM 408 CG HIS G 2 -4.753 -8.071 -7.314 1.00 0.00 C ATOM 409 ND1 HIS G 2 -5.068 -7.463 -8.524 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.537 -9.395 -7.610 1.00 0.00 C ATOM 411 CE1 HIS G 2 -5.032 -8.412 -9.477 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.713 -9.606 -8.975 1.00 0.00 N ATOM 0 H HIS G 2 -3.832 -8.629 -3.873 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.565 -7.310 -6.228 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.410 -7.753 -5.299 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.051 -6.279 -6.177 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.271 -10.157 -6.892 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.237 -8.229 -10.522 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.618 -10.486 -9.483 1.00 0.00 H new ATOM 420 N VAL G 3 -2.178 -5.183 -5.001 1.00 0.00 N ATOM 421 CA VAL G 3 -1.924 -3.921 -4.308 1.00 0.00 C ATOM 422 C VAL G 3 -2.296 -2.755 -5.217 1.00 0.00 C ATOM 423 O VAL G 3 -1.784 -2.657 -6.335 1.00 0.00 O ATOM 424 CB VAL G 3 -0.445 -3.830 -3.927 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.186 -2.501 -3.219 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.082 -4.990 -2.992 1.00 0.00 C ATOM 0 H VAL G 3 -1.598 -5.336 -5.826 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.529 -3.878 -3.402 1.00 0.00 H new ATOM 0 HB VAL G 3 0.167 -3.889 -4.827 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.867 -2.433 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.442 -1.678 -3.886 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.798 -2.443 -2.319 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.972 -4.923 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.692 -4.935 -2.090 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.268 -5.937 -3.498 1.00 0.00 H new ATOM 436 N HIS G 4 -3.160 -1.857 -4.743 1.00 0.00 N ATOM 437 CA HIS G 4 -3.552 -0.687 -5.543 1.00 0.00 C ATOM 438 C HIS G 4 -3.120 0.580 -4.808 1.00 0.00 C ATOM 439 O HIS G 4 -3.414 0.733 -3.621 1.00 0.00 O ATOM 440 CB HIS G 4 -5.090 -0.699 -5.767 1.00 0.00 C ATOM 441 CG HIS G 4 -5.547 -1.987 -6.464 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.738 -2.646 -6.127 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.984 -2.754 -7.469 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.836 -3.739 -6.906 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.798 -3.855 -7.739 1.00 0.00 N ATOM 0 H HIS G 4 -3.598 -1.911 -3.824 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.065 -0.716 -6.518 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.599 -0.603 -4.808 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.378 0.163 -6.369 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -4.053 -2.533 -7.970 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.657 -4.440 -6.863 1.00 0.00 H new ATOM 452 N LEU G 5 -2.409 1.480 -5.502 1.00 0.00 N ATOM 453 CA LEU G 5 -1.923 2.717 -4.870 1.00 0.00 C ATOM 454 C LEU G 5 -2.435 3.935 -5.620 1.00 0.00 C ATOM 455 O LEU G 5 -2.010 4.202 -6.745 1.00 0.00 O ATOM 456 CB LEU G 5 -0.398 2.711 -4.893 1.00 0.00 C ATOM 457 CG LEU G 5 0.126 1.358 -4.397 1.00 0.00 C ATOM 458 CD1 LEU G 5 1.643 1.280 -4.603 1.00 0.00 C ATOM 459 CD2 LEU G 5 -0.198 1.192 -2.908 1.00 0.00 C ATOM 0 H LEU G 5 -2.160 1.379 -6.486 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.287 2.764 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.040 2.901 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.013 3.513 -4.263 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.355 0.561 -4.963 1.00 0.00 H new ATOM 0 HD11 LEU G 5 2.009 0.316 -4.249 1.00 0.00 H new ATOM 0 HD12 LEU G 5 1.872 1.388 -5.663 1.00 0.00 H new ATOM 0 HD13 LEU G 5 2.128 2.080 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU G 5 0.176 0.229 -2.559 1.00 0.00 H new ATOM 0 HD22 LEU G 5 0.277 1.993 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -1.277 1.236 -2.763 1.00 0.00 H new ATOM 471 N GLN G 6 -3.332 4.688 -4.986 1.00 0.00 N ATOM 472 CA GLN G 6 -3.877 5.896 -5.600 1.00 0.00 C ATOM 473 C GLN G 6 -3.703 7.071 -4.649 1.00 0.00 C ATOM 474 O GLN G 6 -4.270 7.098 -3.550 1.00 0.00 O ATOM 475 CB GLN G 6 -5.355 5.686 -5.930 1.00 0.00 C ATOM 476 CG GLN G 6 -5.884 6.897 -6.698 1.00 0.00 C ATOM 477 CD GLN G 6 -7.376 6.741 -6.968 1.00 0.00 C ATOM 478 OE1 GLN G 6 -8.184 6.693 -6.036 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.787 6.638 -8.204 1.00 0.00 N ATOM 0 H GLN G 6 -3.694 4.485 -4.054 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.342 6.110 -6.525 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.481 4.782 -6.525 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.927 5.546 -5.013 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.704 7.807 -6.125 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.346 7.002 -7.640 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -7.115 6.678 -8.970 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.780 6.517 -8.403 1.00 0.00 H new ATOM 488 N ILE G 7 -2.900 8.045 -5.070 1.00 0.00 N ATOM 489 CA ILE G 7 -2.640 9.216 -4.240 1.00 0.00 C ATOM 490 C ILE G 7 -2.644 10.482 -5.093 1.00 0.00 C ATOM 491 O ILE G 7 -2.127 11.486 -4.634 1.00 0.00 O ATOM 492 CB ILE G 7 -1.290 9.045 -3.518 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.142 8.995 -4.537 1.00 0.00 C ATOM 494 CG2 ILE G 7 -1.303 7.730 -2.724 1.00 0.00 C ATOM 495 CD1 ILE G 7 1.209 9.042 -3.810 1.00 0.00 C ATOM 496 OXT ILE G 7 -3.162 10.425 -6.197 1.00 0.00 O ATOM 0 H ILE G 7 -2.423 8.047 -5.972 1.00 0.00 H new ATOM 0 HA ILE G 7 -3.428 9.312 -3.493 1.00 0.00 H new ATOM 0 HB ILE G 7 -1.140 9.892 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.212 8.084 -5.132 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.222 9.834 -5.228 1.00 0.00 H new ATOM 0 HG21 ILE G 7 -0.349 7.605 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -2.109 7.756 -1.990 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.460 6.895 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE G 7 2.017 9.006 -4.541 1.00 0.00 H new ATOM 0 HD12 ILE G 7 1.281 9.965 -3.235 1.00 0.00 H new ATOM 0 HD13 ILE G 7 1.290 8.188 -3.137 1.00 0.00 H new TER 508 ILE G 7 ATOM 509 N ILE I 1 0.819 -11.641 -8.687 1.00 0.00 N ATOM 510 CA ILE I 1 0.810 -10.408 -7.851 1.00 0.00 C ATOM 511 C ILE I 1 0.677 -9.189 -8.756 1.00 0.00 C ATOM 512 O ILE I 1 1.461 -9.016 -9.691 1.00 0.00 O ATOM 513 CB ILE I 1 2.119 -10.323 -7.060 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.217 -11.518 -6.107 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.139 -9.028 -6.256 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.622 -11.575 -5.506 1.00 0.00 C ATOM 0 H1 ILE I 1 0.441 -12.437 -8.135 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.229 -11.493 -9.530 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.794 -11.855 -8.980 1.00 0.00 H new ATOM 0 HA ILE I 1 -0.030 -10.438 -7.157 1.00 0.00 H new ATOM 0 HB ILE I 1 2.964 -10.338 -7.748 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.474 -11.427 -5.315 1.00 0.00 H new ATOM 0 HG13 ILE I 1 2.001 -12.443 -6.642 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.069 -8.964 -5.692 1.00 0.00 H new ATOM 0 HG22 ILE I 1 2.067 -8.178 -6.934 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.295 -9.015 -5.566 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.693 -12.425 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.355 -11.686 -6.305 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.820 -10.655 -4.957 1.00 0.00 H new ATOM 530 N HIS I 2 -0.310 -8.332 -8.472 1.00 0.00 N ATOM 531 CA HIS I 2 -0.505 -7.138 -9.264 1.00 0.00 C ATOM 532 C HIS I 2 -0.202 -5.915 -8.411 1.00 0.00 C ATOM 533 O HIS I 2 -0.838 -5.708 -7.379 1.00 0.00 O ATOM 534 CB HIS I 2 -1.990 -7.117 -9.690 1.00 0.00 C ATOM 535 CG HIS I 2 -2.372 -5.778 -10.259 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.655 -5.219 -10.120 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.659 -4.887 -11.002 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.656 -4.051 -10.772 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.476 -3.792 -11.329 1.00 0.00 N ATOM 0 H HIS I 2 -0.973 -8.451 -7.706 1.00 0.00 H new ATOM 0 HA HIS I 2 0.151 -7.129 -10.135 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.170 -7.895 -10.432 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.621 -7.344 -8.831 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.626 -5.004 -11.294 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.512 -3.396 -10.838 1.00 0.00 H new ATOM 546 N VAL I 3 0.740 -5.084 -8.865 1.00 0.00 N ATOM 547 CA VAL I 3 1.076 -3.851 -8.146 1.00 0.00 C ATOM 548 C VAL I 3 0.787 -2.651 -9.029 1.00 0.00 C ATOM 549 O VAL I 3 1.355 -2.545 -10.116 1.00 0.00 O ATOM 550 CB VAL I 3 2.556 -3.861 -7.768 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.893 -2.577 -7.001 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.859 -5.090 -6.898 1.00 0.00 C ATOM 0 H VAL I 3 1.279 -5.239 -9.717 1.00 0.00 H new ATOM 0 HA VAL I 3 0.473 -3.789 -7.240 1.00 0.00 H new ATOM 0 HB VAL I 3 3.164 -3.909 -8.671 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.949 -2.582 -6.730 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.684 -1.712 -7.630 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.287 -2.523 -6.097 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.916 -5.094 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.255 -5.052 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.622 -5.997 -7.454 1.00 0.00 H new ATOM 562 N HIS I 4 -0.068 -1.735 -8.574 1.00 0.00 N ATOM 563 CA HIS I 4 -0.367 -0.560 -9.349 1.00 0.00 C ATOM 564 C HIS I 4 0.028 0.722 -8.634 1.00 0.00 C ATOM 565 O HIS I 4 -0.336 0.935 -7.475 1.00 0.00 O ATOM 566 CB HIS I 4 -1.864 -0.581 -9.693 1.00 0.00 C ATOM 567 CG HIS I 4 -2.130 0.307 -10.876 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.550 -0.165 -12.134 1.00 0.00 N ATOM 569 CD2 HIS I 4 -2.054 1.651 -10.987 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.709 0.908 -12.925 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.423 2.042 -12.276 1.00 0.00 N ATOM 0 H HIS I 4 -0.555 -1.794 -7.680 1.00 0.00 H new ATOM 0 HA HIS I 4 0.224 -0.575 -10.265 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.181 -1.600 -9.914 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.448 -0.244 -8.836 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.753 2.323 -10.197 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -3.028 0.861 -13.956 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.465 2.992 -12.645 1.00 0.00 H new ATOM 579 N LEU I 5 0.748 1.595 -9.352 1.00 0.00 N ATOM 580 CA LEU I 5 1.168 2.883 -8.800 1.00 0.00 C ATOM 581 C LEU I 5 0.552 4.024 -9.594 1.00 0.00 C ATOM 582 O LEU I 5 0.810 4.175 -10.787 1.00 0.00 O ATOM 583 CB LEU I 5 2.698 2.994 -8.811 1.00 0.00 C ATOM 584 CG LEU I 5 3.141 4.402 -8.389 1.00 0.00 C ATOM 585 CD1 LEU I 5 2.644 4.697 -6.970 1.00 0.00 C ATOM 586 CD2 LEU I 5 4.672 4.477 -8.430 1.00 0.00 C ATOM 0 H LEU I 5 1.049 1.430 -10.313 1.00 0.00 H new ATOM 0 HA LEU I 5 0.821 2.949 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU I 5 3.126 2.254 -8.135 1.00 0.00 H new ATOM 0 HB3 LEU I 5 3.077 2.771 -9.808 1.00 0.00 H new ATOM 0 HG LEU I 5 2.720 5.140 -9.071 1.00 0.00 H new ATOM 0 HD11 LEU I 5 2.961 5.697 -6.674 1.00 0.00 H new ATOM 0 HD12 LEU I 5 1.556 4.639 -6.946 1.00 0.00 H new ATOM 0 HD13 LEU I 5 3.062 3.965 -6.279 1.00 0.00 H new ATOM 0 HD21 LEU I 5 4.996 5.474 -8.132 1.00 0.00 H new ATOM 0 HD22 LEU I 5 5.091 3.740 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU I 5 5.019 4.271 -9.442 1.00 0.00 H new ATOM 598 N GLN I 6 -0.243 4.848 -8.913 1.00 0.00 N ATOM 599 CA GLN I 6 -0.869 5.999 -9.551 1.00 0.00 C ATOM 600 C GLN I 6 -0.732 7.216 -8.648 1.00 0.00 C ATOM 601 O GLN I 6 -1.403 7.324 -7.617 1.00 0.00 O ATOM 602 CB GLN I 6 -2.346 5.705 -9.843 1.00 0.00 C ATOM 603 CG GLN I 6 -2.963 6.879 -10.608 1.00 0.00 C ATOM 604 CD GLN I 6 -4.453 6.640 -10.842 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.234 6.542 -9.894 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.892 6.522 -12.066 1.00 0.00 N ATOM 0 H GLN I 6 -0.467 4.739 -7.924 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.370 6.204 -10.498 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.436 4.790 -10.428 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.886 5.542 -8.910 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.820 7.802 -10.046 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.454 7.006 -11.564 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -4.245 6.603 -12.850 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.882 6.349 -12.238 1.00 0.00 H new ATOM 615 N ILE I 7 0.147 8.136 -9.046 1.00 0.00 N ATOM 616 CA ILE I 7 0.376 9.358 -8.272 1.00 0.00 C ATOM 617 C ILE I 7 0.347 10.561 -9.211 1.00 0.00 C ATOM 618 O ILE I 7 0.356 10.350 -10.413 1.00 0.00 O ATOM 619 CB ILE I 7 1.728 9.267 -7.515 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.869 9.861 -8.361 1.00 0.00 C ATOM 621 CG2 ILE I 7 2.037 7.805 -7.196 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.235 9.469 -7.782 1.00 0.00 C ATOM 623 OXT ILE I 7 0.311 11.674 -8.715 1.00 0.00 O ATOM 0 H ILE I 7 0.709 8.060 -9.894 1.00 0.00 H new ATOM 0 HA ILE I 7 -0.412 9.477 -7.529 1.00 0.00 H new ATOM 0 HB ILE I 7 1.647 9.839 -6.591 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.789 9.506 -9.389 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.779 10.947 -8.390 1.00 0.00 H new ATOM 0 HG21 ILE I 7 2.986 7.741 -6.664 1.00 0.00 H new ATOM 0 HG22 ILE I 7 1.244 7.393 -6.572 1.00 0.00 H new ATOM 0 HG23 ILE I 7 2.102 7.236 -8.123 1.00 0.00 H new ATOM 0 HD11 ILE I 7 5.027 9.899 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.320 9.846 -6.763 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.330 8.383 -7.776 1.00 0.00 H new TER 635 ILE I 7 ATOM 636 N ILE K 1 4.237 -11.765 -12.203 1.00 0.00 N ATOM 637 CA ILE K 1 4.277 -10.488 -11.436 1.00 0.00 C ATOM 638 C ILE K 1 4.081 -9.323 -12.393 1.00 0.00 C ATOM 639 O ILE K 1 4.926 -9.076 -13.254 1.00 0.00 O ATOM 640 CB ILE K 1 5.640 -10.352 -10.752 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.826 -11.521 -9.779 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.700 -9.025 -9.993 1.00 0.00 C ATOM 643 CD1 ILE K 1 7.277 -11.564 -9.296 1.00 0.00 C ATOM 0 H1 ILE K 1 3.671 -12.465 -11.682 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.808 -11.597 -13.135 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.204 -12.126 -12.328 1.00 0.00 H new ATOM 0 HA ILE K 1 3.487 -10.486 -10.685 1.00 0.00 H new ATOM 0 HB ILE K 1 6.435 -10.369 -11.498 1.00 0.00 H new ATOM 0 HG12 ILE K 1 5.153 -11.410 -8.929 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.568 -12.460 -10.269 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.670 -8.928 -9.506 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.560 -8.200 -10.691 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.912 -9.000 -9.240 1.00 0.00 H new ATOM 0 HD11 ILE K 1 7.406 -12.396 -8.604 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.941 -11.696 -10.150 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.520 -10.630 -8.789 1.00 0.00 H new ATOM 657 N HIS K 2 2.981 -8.585 -12.233 1.00 0.00 N ATOM 658 CA HIS K 2 2.734 -7.430 -13.094 1.00 0.00 C ATOM 659 C HIS K 2 2.944 -6.158 -12.285 1.00 0.00 C ATOM 660 O HIS K 2 2.299 -5.953 -11.256 1.00 0.00 O ATOM 661 CB HIS K 2 1.278 -7.467 -13.611 1.00 0.00 C ATOM 662 CG HIS K 2 1.178 -8.258 -14.892 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.782 -7.676 -16.090 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.397 -9.585 -15.175 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.776 -8.644 -17.026 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.143 -9.825 -16.522 1.00 0.00 N ATOM 0 H HIS K 2 2.262 -8.761 -11.531 1.00 0.00 H new ATOM 0 HA HIS K 2 3.419 -7.453 -13.942 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.631 -7.911 -12.854 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.922 -6.450 -13.779 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.718 -10.329 -14.460 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.507 -8.485 -18.060 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.221 -10.713 -17.018 1.00 0.00 H new ATOM 674 N VAL K 3 3.825 -5.293 -12.779 1.00 0.00 N ATOM 675 CA VAL K 3 4.094 -4.013 -12.125 1.00 0.00 C ATOM 676 C VAL K 3 3.652 -2.872 -13.039 1.00 0.00 C ATOM 677 O VAL K 3 4.096 -2.797 -14.185 1.00 0.00 O ATOM 678 CB VAL K 3 5.592 -3.895 -11.825 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.877 -2.545 -11.165 1.00 0.00 C ATOM 680 CG2 VAL K 3 6.023 -5.028 -10.885 1.00 0.00 C ATOM 0 H VAL K 3 4.365 -5.453 -13.629 1.00 0.00 H new ATOM 0 HA VAL K 3 3.539 -3.957 -11.189 1.00 0.00 H new ATOM 0 HB VAL K 3 6.152 -3.969 -12.757 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.943 -2.462 -10.952 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.578 -1.741 -11.837 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.314 -2.469 -10.235 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.089 -4.940 -10.674 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.462 -4.961 -9.953 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.825 -5.989 -11.359 1.00 0.00 H new ATOM 690 N HIS K 4 2.800 -1.971 -12.542 1.00 0.00 N ATOM 691 CA HIS K 4 2.348 -0.830 -13.359 1.00 0.00 C ATOM 692 C HIS K 4 2.804 0.468 -12.691 1.00 0.00 C ATOM 693 O HIS K 4 2.575 0.663 -11.495 1.00 0.00 O ATOM 694 CB HIS K 4 0.800 -0.861 -13.514 1.00 0.00 C ATOM 695 CG HIS K 4 0.319 -2.168 -14.156 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.875 -2.801 -13.780 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.855 -2.972 -15.145 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.998 -3.917 -14.522 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.025 -4.070 -15.367 1.00 0.00 N ATOM 0 H HIS K 4 2.413 -2.002 -11.599 1.00 0.00 H new ATOM 0 HA HIS K 4 2.784 -0.891 -14.356 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.334 -0.743 -12.536 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.479 -0.017 -14.124 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.780 -2.778 -15.668 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.825 -4.607 -14.444 1.00 0.00 H new ATOM 706 N LEU K 5 3.461 1.348 -13.460 1.00 0.00 N ATOM 707 CA LEU K 5 3.969 2.617 -12.916 1.00 0.00 C ATOM 708 C LEU K 5 3.370 3.795 -13.663 1.00 0.00 C ATOM 709 O LEU K 5 3.689 4.025 -14.828 1.00 0.00 O ATOM 710 CB LEU K 5 5.492 2.643 -13.064 1.00 0.00 C ATOM 711 CG LEU K 5 6.087 1.345 -12.496 1.00 0.00 C ATOM 712 CD1 LEU K 5 7.599 1.318 -12.742 1.00 0.00 C ATOM 713 CD2 LEU K 5 5.815 1.259 -10.989 1.00 0.00 C ATOM 0 H LEU K 5 3.652 1.207 -14.452 1.00 0.00 H new ATOM 0 HA LEU K 5 3.689 2.693 -11.865 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.764 2.751 -14.114 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.904 3.504 -12.538 1.00 0.00 H new ATOM 0 HG LEU K 5 5.621 0.495 -12.995 1.00 0.00 H new ATOM 0 HD11 LEU K 5 8.017 0.396 -12.338 1.00 0.00 H new ATOM 0 HD12 LEU K 5 7.794 1.366 -13.813 1.00 0.00 H new ATOM 0 HD13 LEU K 5 8.063 2.173 -12.250 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.240 0.336 -10.595 1.00 0.00 H new ATOM 0 HD22 LEU K 5 6.272 2.112 -10.488 1.00 0.00 H new ATOM 0 HD23 LEU K 5 4.739 1.268 -10.812 1.00 0.00 H new ATOM 725 N GLN K 6 2.517 4.556 -12.983 1.00 0.00 N ATOM 726 CA GLN K 6 1.897 5.730 -13.594 1.00 0.00 C ATOM 727 C GLN K 6 2.095 6.934 -12.683 1.00 0.00 C ATOM 728 O GLN K 6 1.578 6.982 -11.559 1.00 0.00 O ATOM 729 CB GLN K 6 0.408 5.474 -13.826 1.00 0.00 C ATOM 730 CG GLN K 6 -0.196 6.636 -14.618 1.00 0.00 C ATOM 731 CD GLN K 6 -1.701 6.439 -14.779 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.437 6.403 -13.794 1.00 0.00 O ATOM 733 NE2 GLN K 6 -2.203 6.294 -15.974 1.00 0.00 N ATOM 0 H GLN K 6 2.240 4.384 -12.016 1.00 0.00 H new ATOM 0 HA GLN K 6 2.365 5.931 -14.558 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.270 4.539 -14.370 1.00 0.00 H new ATOM 0 HB3 GLN K 6 -0.106 5.366 -12.871 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.002 7.577 -14.105 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.276 6.702 -15.598 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.593 6.324 -16.791 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -3.206 6.151 -16.092 1.00 0.00 H new ATOM 742 N ILE K 7 2.865 7.904 -13.169 1.00 0.00 N ATOM 743 CA ILE K 7 3.152 9.103 -12.393 1.00 0.00 C ATOM 744 C ILE K 7 3.085 10.342 -13.280 1.00 0.00 C ATOM 745 O ILE K 7 3.547 11.384 -12.847 1.00 0.00 O ATOM 746 CB ILE K 7 4.544 8.976 -11.741 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.643 8.897 -12.817 1.00 0.00 C ATOM 748 CG2 ILE K 7 4.589 7.700 -10.890 1.00 0.00 C ATOM 749 CD1 ILE K 7 7.028 9.001 -12.159 1.00 0.00 C ATOM 750 OXT ILE K 7 2.572 10.228 -14.381 1.00 0.00 O ATOM 0 H ILE K 7 3.299 7.882 -14.092 1.00 0.00 H new ATOM 0 HA ILE K 7 2.402 9.209 -11.609 1.00 0.00 H new ATOM 0 HB ILE K 7 4.719 9.854 -11.119 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.561 7.958 -13.365 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.514 9.701 -13.541 1.00 0.00 H new ATOM 0 HG21 ILE K 7 5.571 7.606 -10.427 1.00 0.00 H new ATOM 0 HG22 ILE K 7 3.826 7.753 -10.114 1.00 0.00 H new ATOM 0 HG23 ILE K 7 4.402 6.833 -11.524 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.800 8.944 -12.926 1.00 0.00 H new ATOM 0 HD12 ILE K 7 7.110 9.951 -11.631 1.00 0.00 H new ATOM 0 HD13 ILE K 7 7.158 8.181 -11.452 1.00 0.00 H new TER 762 ILE K 7 ATOM 763 N ILE O 1 -3.930 11.530 12.492 1.00 0.00 N ATOM 764 CA ILE O 1 -4.675 10.288 12.839 1.00 0.00 C ATOM 765 C ILE O 1 -3.787 9.073 12.574 1.00 0.00 C ATOM 766 O ILE O 1 -3.235 8.915 11.478 1.00 0.00 O ATOM 767 CB ILE O 1 -5.948 10.200 11.986 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.861 11.388 12.311 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.680 8.895 12.301 1.00 0.00 C ATOM 770 CD1 ILE O 1 -7.993 11.462 11.282 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.269 12.315 13.084 1.00 0.00 H new ATOM 0 H2 ILE O 1 -2.914 11.384 12.660 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.086 11.760 11.490 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.951 10.308 13.893 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.682 10.223 10.929 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.274 11.279 13.314 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.287 12.314 12.302 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.585 8.830 11.696 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.030 8.050 12.074 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.947 8.874 13.357 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.641 12.307 11.514 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.571 11.592 10.285 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.574 10.540 11.313 1.00 0.00 H new ATOM 784 N HIS O 2 -3.654 8.205 13.581 1.00 0.00 N ATOM 785 CA HIS O 2 -2.857 7.015 13.442 1.00 0.00 C ATOM 786 C HIS O 2 -3.771 5.798 13.508 1.00 0.00 C ATOM 787 O HIS O 2 -4.467 5.596 14.503 1.00 0.00 O ATOM 788 CB HIS O 2 -1.877 7.016 14.635 1.00 0.00 C ATOM 789 CG HIS O 2 -1.251 5.669 14.843 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.883 5.199 16.110 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.877 4.702 13.961 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.314 3.998 15.945 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.277 3.640 14.662 1.00 0.00 N ATOM 0 H HIS O 2 -4.093 8.317 14.495 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.318 6.985 12.495 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.096 7.757 14.463 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.406 7.314 15.540 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.023 5.683 16.997 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -1.019 4.744 12.891 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.069 3.393 16.754 1.00 0.00 H new ATOM 800 N VAL O 3 -3.738 4.967 12.462 1.00 0.00 N ATOM 801 CA VAL O 3 -4.543 3.742 12.436 1.00 0.00 C ATOM 802 C VAL O 3 -3.628 2.533 12.350 1.00 0.00 C ATOM 803 O VAL O 3 -2.835 2.426 11.414 1.00 0.00 O ATOM 804 CB VAL O 3 -5.497 3.766 11.239 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.332 2.478 11.235 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.420 4.996 11.342 1.00 0.00 C ATOM 0 H VAL O 3 -3.168 5.118 11.629 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.132 3.681 13.351 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.927 3.828 10.312 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -7.014 2.489 10.385 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.670 1.615 11.158 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.906 2.414 12.159 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -7.099 5.013 10.490 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.997 4.942 12.265 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.817 5.904 11.344 1.00 0.00 H new ATOM 816 N HIS O 4 -3.736 1.619 13.311 1.00 0.00 N ATOM 817 CA HIS O 4 -2.920 0.433 13.308 1.00 0.00 C ATOM 818 C HIS O 4 -3.757 -0.836 13.207 1.00 0.00 C ATOM 819 O HIS O 4 -4.717 -1.022 13.954 1.00 0.00 O ATOM 820 CB HIS O 4 -2.053 0.436 14.580 1.00 0.00 C ATOM 821 CG HIS O 4 -0.873 -0.474 14.391 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.462 -0.031 14.368 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.827 -1.815 14.216 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.234 -1.115 14.183 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.500 -2.230 14.086 1.00 0.00 N ATOM 0 H HIS O 4 -4.383 1.687 14.096 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.280 0.441 12.426 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.712 1.448 14.797 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.644 0.108 15.435 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.688 -2.467 14.182 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.312 -1.090 14.120 1.00 0.00 H new ATOM 0 HE2 HIS O 4 0.839 -3.182 13.947 1.00 0.00 H new ATOM 833 N LEU O 5 -3.362 -1.721 12.292 1.00 0.00 N ATOM 834 CA LEU O 5 -4.047 -3.000 12.104 1.00 0.00 C ATOM 835 C LEU O 5 -3.079 -4.142 12.380 1.00 0.00 C ATOM 836 O LEU O 5 -2.046 -4.262 11.723 1.00 0.00 O ATOM 837 CB LEU O 5 -4.583 -3.107 10.668 1.00 0.00 C ATOM 838 CG LEU O 5 -5.133 -4.516 10.398 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.286 -4.818 11.362 1.00 0.00 C ATOM 840 CD2 LEU O 5 -5.628 -4.588 8.948 1.00 0.00 C ATOM 0 H LEU O 5 -2.569 -1.575 11.668 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.886 -3.060 12.798 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -5.369 -2.368 10.512 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -3.787 -2.880 9.959 1.00 0.00 H new ATOM 0 HG LEU O 5 -4.346 -5.255 10.552 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -6.672 -5.818 11.166 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.925 -4.763 12.389 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -7.082 -4.087 11.218 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -6.020 -5.585 8.747 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -6.416 -3.850 8.795 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -4.800 -4.380 8.270 1.00 0.00 H new ATOM 852 N GLN O 6 -3.433 -4.996 13.334 1.00 0.00 N ATOM 853 CA GLN O 6 -2.602 -6.147 13.667 1.00 0.00 C ATOM 854 C GLN O 6 -3.492 -7.364 13.873 1.00 0.00 C ATOM 855 O GLN O 6 -4.199 -7.464 14.877 1.00 0.00 O ATOM 856 CB GLN O 6 -1.784 -5.865 14.932 1.00 0.00 C ATOM 857 CG GLN O 6 -0.829 -7.032 15.194 1.00 0.00 C ATOM 858 CD GLN O 6 -0.077 -6.808 16.500 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.688 -6.719 17.565 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.224 -6.705 16.478 1.00 0.00 N ATOM 0 H GLN O 6 -4.286 -4.914 13.888 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.908 -6.341 12.849 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.220 -4.939 14.814 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.449 -5.727 15.785 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.388 -7.966 15.243 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.122 -7.126 14.370 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.727 -6.779 15.594 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.738 -6.550 17.345 1.00 0.00 H new ATOM 869 N ILE O 7 -3.463 -8.291 12.911 1.00 0.00 N ATOM 870 CA ILE O 7 -4.287 -9.504 13.002 1.00 0.00 C ATOM 871 C ILE O 7 -3.437 -10.738 12.702 1.00 0.00 C ATOM 872 O ILE O 7 -2.364 -10.572 12.144 1.00 0.00 O ATOM 873 CB ILE O 7 -5.493 -9.401 12.031 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.122 -9.957 10.641 1.00 0.00 C ATOM 875 CG2 ILE O 7 -5.924 -7.938 11.910 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.160 -9.538 9.587 1.00 0.00 C ATOM 877 OXT ILE O 7 -3.870 -11.826 13.039 1.00 0.00 O ATOM 0 H ILE O 7 -2.888 -8.229 12.071 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.677 -9.601 14.015 1.00 0.00 H new ATOM 0 HB ILE O 7 -6.317 -9.994 12.428 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -4.136 -9.593 10.351 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -5.061 -11.044 10.684 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.771 -7.863 11.228 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.214 -7.562 12.891 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -5.095 -7.345 11.524 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -5.876 -9.942 8.616 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -7.140 -9.924 9.868 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -6.201 -8.450 9.529 1.00 0.00 H new TER 889 ILE O 7 ATOM 890 N ILE Q 1 -1.204 11.634 8.581 1.00 0.00 N ATOM 891 CA ILE Q 1 -1.930 10.362 8.856 1.00 0.00 C ATOM 892 C ILE Q 1 -0.981 9.186 8.653 1.00 0.00 C ATOM 893 O ILE Q 1 -0.403 9.013 7.572 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.121 10.240 7.894 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.077 11.414 8.130 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -3.858 8.927 8.153 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.106 11.474 7.001 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.607 12.396 9.163 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.197 11.516 8.813 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.301 11.878 7.575 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.294 10.359 9.884 1.00 0.00 H new ATOM 0 HB ILE Q 1 -2.763 10.255 6.865 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.581 11.298 9.089 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.517 12.348 8.175 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.703 8.843 7.469 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.178 8.090 7.994 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.220 8.910 9.181 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -5.785 12.310 7.171 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.594 11.611 6.049 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.674 10.544 6.977 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.824 8.361 9.690 1.00 0.00 N ATOM 912 CA HIS Q 2 0.044 7.186 9.574 1.00 0.00 C ATOM 913 C HIS Q 2 -0.820 5.931 9.614 1.00 0.00 C ATOM 914 O HIS Q 2 -1.550 5.706 10.580 1.00 0.00 O ATOM 915 CB HIS Q 2 1.053 7.160 10.745 1.00 0.00 C ATOM 916 CG HIS Q 2 2.300 7.943 10.395 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.553 7.347 10.317 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.504 9.273 10.115 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.441 8.309 10.004 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.855 9.500 9.869 1.00 0.00 N ATOM 0 H HIS Q 2 -1.273 8.478 10.598 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.595 7.228 8.635 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.592 7.581 11.638 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.319 6.129 10.980 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.732 10.028 10.090 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.500 8.137 9.877 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.301 10.387 9.636 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.701 5.094 8.583 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.444 3.835 8.539 1.00 0.00 C ATOM 930 C VAL Q 3 -0.466 2.664 8.576 1.00 0.00 C ATOM 931 O VAL Q 3 0.429 2.580 7.732 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.286 3.771 7.263 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.045 2.447 7.229 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.286 4.935 7.246 1.00 0.00 C ATOM 0 H VAL Q 3 -0.103 5.263 7.774 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.107 3.778 9.402 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.635 3.844 6.392 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.647 2.396 6.322 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.335 1.620 7.240 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.696 2.378 8.101 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -3.884 4.887 6.336 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -3.940 4.865 8.115 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.744 5.880 7.275 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.645 1.749 9.528 1.00 0.00 N ATOM 945 CA HIS Q 4 0.234 0.573 9.627 1.00 0.00 C ATOM 946 C HIS Q 4 -0.607 -0.687 9.431 1.00 0.00 C ATOM 947 O HIS Q 4 -1.642 -0.842 10.081 1.00 0.00 O ATOM 948 CB HIS Q 4 0.936 0.556 11.012 1.00 0.00 C ATOM 949 CG HIS Q 4 1.741 1.840 11.252 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.794 2.471 12.503 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.520 2.625 10.420 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.565 3.567 12.377 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.032 3.711 11.133 1.00 0.00 N ATOM 0 H HIS Q 4 -1.379 1.793 10.235 1.00 0.00 H new ATOM 0 HA HIS Q 4 1.004 0.614 8.857 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.189 0.442 11.798 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.599 -0.307 11.074 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.705 2.427 9.374 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.781 4.250 13.186 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.180 -1.577 8.527 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.942 -2.804 8.249 1.00 0.00 C ATOM 962 C LEU Q 5 -0.069 -4.030 8.459 1.00 0.00 C ATOM 963 O LEU Q 5 0.856 -4.279 7.683 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.418 -2.764 6.797 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.020 -1.388 6.484 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.279 -1.258 4.980 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -3.336 -1.213 7.252 1.00 0.00 C ATOM 0 H LEU Q 5 0.676 -1.475 7.982 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.793 -2.862 8.927 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -0.584 -2.967 6.126 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.161 -3.543 6.627 1.00 0.00 H new ATOM 0 HG LEU Q 5 -1.316 -0.614 6.791 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -2.706 -0.278 4.768 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -1.340 -1.369 4.438 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -2.975 -2.034 4.662 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -3.761 -0.235 7.028 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -4.038 -1.991 6.953 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -3.145 -1.289 8.323 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.376 -4.809 9.494 1.00 0.00 N ATOM 980 CA GLN Q 6 0.383 -6.026 9.777 1.00 0.00 C ATOM 981 C GLN Q 6 -0.576 -7.203 9.896 1.00 0.00 C ATOM 982 O GLN Q 6 -1.412 -7.257 10.804 1.00 0.00 O ATOM 983 CB GLN Q 6 1.178 -5.851 11.071 1.00 0.00 C ATOM 984 CG GLN Q 6 2.087 -7.063 11.283 1.00 0.00 C ATOM 985 CD GLN Q 6 2.819 -6.942 12.615 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.191 -6.916 13.674 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.121 -6.851 12.620 1.00 0.00 N ATOM 0 H GLN Q 6 -1.138 -4.622 10.146 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.083 -6.220 8.964 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.775 -4.940 11.023 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.498 -5.742 11.916 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.496 -7.978 11.266 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.808 -7.134 10.468 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.637 -6.873 11.741 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.622 -6.758 13.503 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.463 -8.147 8.965 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.339 -9.316 8.970 1.00 0.00 C ATOM 998 C ILE Q 7 -0.533 -10.581 8.686 1.00 0.00 C ATOM 999 O ILE Q 7 -1.136 -11.575 8.318 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.454 -9.129 7.923 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -1.849 -9.052 6.514 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.213 -7.825 8.214 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -2.964 -9.079 5.460 1.00 0.00 C ATOM 1004 OXT ILE Q 7 0.677 -10.533 8.837 1.00 0.00 O ATOM 0 H ILE Q 7 0.218 -8.127 8.206 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.796 -9.421 9.954 1.00 0.00 H new ATOM 0 HB ILE Q 7 -3.135 -9.978 7.976 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.262 -8.139 6.411 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -1.168 -9.888 6.356 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -4.002 -7.691 7.474 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.653 -7.875 9.210 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -2.522 -6.983 8.164 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -2.525 -9.024 4.464 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -3.532 -10.004 5.555 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.628 -8.228 5.611 1.00 0.00 H new TER 1016 ILE Q 7 ATOM 1017 N ILE S 1 1.983 11.607 4.761 1.00 0.00 N ATOM 1018 CA ILE S 1 1.206 10.367 5.035 1.00 0.00 C ATOM 1019 C ILE S 1 2.107 9.152 4.838 1.00 0.00 C ATOM 1020 O ILE S 1 2.759 9.011 3.795 1.00 0.00 O ATOM 1021 CB ILE S 1 0.015 10.295 4.075 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -0.928 11.470 4.348 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.729 8.981 4.289 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -1.979 11.554 3.239 1.00 0.00 C ATOM 0 H1 ILE S 1 1.588 12.394 5.314 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.977 11.460 5.029 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.928 11.834 3.748 1.00 0.00 H new ATOM 0 HA ILE S 1 0.840 10.379 6.062 1.00 0.00 H new ATOM 0 HB ILE S 1 0.370 10.346 3.046 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.415 11.342 5.315 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.362 12.400 4.397 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.577 8.928 3.607 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.055 8.146 4.096 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.087 8.929 5.317 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -2.649 12.391 3.435 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -1.484 11.703 2.279 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.553 10.628 3.211 1.00 0.00 H new ATOM 1038 N HIS S 2 2.140 8.265 5.842 1.00 0.00 N ATOM 1039 CA HIS S 2 2.950 7.072 5.749 1.00 0.00 C ATOM 1040 C HIS S 2 2.043 5.851 5.706 1.00 0.00 C ATOM 1041 O HIS S 2 1.269 5.623 6.635 1.00 0.00 O ATOM 1042 CB HIS S 2 3.826 7.026 7.021 1.00 0.00 C ATOM 1043 CG HIS S 2 4.467 5.676 7.195 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.704 5.096 8.452 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.973 4.803 6.282 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.332 3.934 8.247 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.526 3.696 6.952 1.00 0.00 N ATOM 0 H HIS S 2 1.617 8.361 6.713 1.00 0.00 H new ATOM 0 HA HIS S 2 3.567 7.079 4.850 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.598 7.793 6.961 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.215 7.256 7.894 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.953 4.939 5.211 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.645 3.268 9.038 1.00 0.00 H new ATOM 1054 N VAL S 3 2.172 5.040 4.651 1.00 0.00 N ATOM 1055 CA VAL S 3 1.383 3.809 4.541 1.00 0.00 C ATOM 1056 C VAL S 3 2.312 2.609 4.507 1.00 0.00 C ATOM 1057 O VAL S 3 3.161 2.519 3.620 1.00 0.00 O ATOM 1058 CB VAL S 3 0.535 3.846 3.269 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.296 2.561 3.179 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.391 5.075 3.304 1.00 0.00 C ATOM 0 H VAL S 3 2.806 5.210 3.871 1.00 0.00 H new ATOM 0 HA VAL S 3 0.723 3.728 5.405 1.00 0.00 H new ATOM 0 HB VAL S 3 1.182 3.916 2.395 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.902 2.583 2.274 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.370 1.698 3.149 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.947 2.487 4.050 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -0.995 5.101 2.397 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.045 5.013 4.174 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.210 5.982 3.366 1.00 0.00 H new ATOM 1070 N HIS S 4 2.152 1.678 5.446 1.00 0.00 N ATOM 1071 CA HIS S 4 2.981 0.498 5.468 1.00 0.00 C ATOM 1072 C HIS S 4 2.165 -0.777 5.301 1.00 0.00 C ATOM 1073 O HIS S 4 1.176 -0.990 6.007 1.00 0.00 O ATOM 1074 CB HIS S 4 3.778 0.490 6.781 1.00 0.00 C ATOM 1075 CG HIS S 4 4.975 -0.406 6.641 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.307 0.045 6.690 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.039 -1.745 6.464 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.093 -1.033 6.543 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.373 -2.152 6.404 1.00 0.00 N ATOM 0 H HIS S 4 1.458 1.727 6.192 1.00 0.00 H new ATOM 0 HA HIS S 4 3.667 0.526 4.622 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.097 1.502 7.030 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.146 0.144 7.599 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.186 -2.402 6.381 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.173 -1.001 6.538 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.724 -3.102 6.280 1.00 0.00 H new ATOM 1087 N LEU S 5 2.609 -1.642 4.381 1.00 0.00 N ATOM 1088 CA LEU S 5 1.943 -2.924 4.137 1.00 0.00 C ATOM 1089 C LEU S 5 2.888 -4.073 4.444 1.00 0.00 C ATOM 1090 O LEU S 5 3.945 -4.200 3.827 1.00 0.00 O ATOM 1091 CB LEU S 5 1.469 -3.006 2.676 1.00 0.00 C ATOM 1092 CG LEU S 5 0.933 -4.411 2.357 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.261 -4.727 3.263 1.00 0.00 C ATOM 1094 CD2 LEU S 5 0.500 -4.459 0.887 1.00 0.00 C ATOM 0 H LEU S 5 3.427 -1.476 3.794 1.00 0.00 H new ATOM 0 HA LEU S 5 1.076 -2.998 4.793 1.00 0.00 H new ATOM 0 HB2 LEU S 5 0.689 -2.265 2.499 1.00 0.00 H new ATOM 0 HB3 LEU S 5 2.295 -2.766 2.006 1.00 0.00 H new ATOM 0 HG LEU S 5 1.714 -5.151 2.532 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.638 -5.724 3.034 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.054 -4.689 4.306 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -1.049 -3.993 3.095 1.00 0.00 H new ATOM 0 HD21 LEU S 5 0.118 -5.453 0.652 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -0.282 -3.720 0.714 1.00 0.00 H new ATOM 0 HD23 LEU S 5 1.355 -4.239 0.248 1.00 0.00 H new ATOM 1106 N GLN S 6 2.486 -4.929 5.383 1.00 0.00 N ATOM 1107 CA GLN S 6 3.291 -6.091 5.746 1.00 0.00 C ATOM 1108 C GLN S 6 2.386 -7.310 5.885 1.00 0.00 C ATOM 1109 O GLN S 6 1.618 -7.426 6.846 1.00 0.00 O ATOM 1110 CB GLN S 6 4.040 -5.827 7.057 1.00 0.00 C ATOM 1111 CG GLN S 6 4.979 -6.998 7.354 1.00 0.00 C ATOM 1112 CD GLN S 6 5.666 -6.793 8.699 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.005 -6.724 9.738 1.00 0.00 O ATOM 1114 NE2 GLN S 6 6.966 -6.684 8.738 1.00 0.00 N ATOM 0 H GLN S 6 1.613 -4.839 5.902 1.00 0.00 H new ATOM 0 HA GLN S 6 4.027 -6.280 4.964 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.609 -4.901 6.983 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.330 -5.700 7.874 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.416 -7.932 7.363 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.726 -7.084 6.565 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.509 -6.742 7.876 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.439 -6.541 9.630 1.00 0.00 H new ATOM 1123 N ILE S 7 2.475 -8.221 4.911 1.00 0.00 N ATOM 1124 CA ILE S 7 1.652 -9.437 4.928 1.00 0.00 C ATOM 1125 C ILE S 7 2.528 -10.662 4.668 1.00 0.00 C ATOM 1126 O ILE S 7 3.640 -10.479 4.197 1.00 0.00 O ATOM 1127 CB ILE S 7 0.516 -9.321 3.873 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.969 -9.882 2.511 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.116 -7.854 3.717 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.016 -9.468 1.404 1.00 0.00 C ATOM 1131 OXT ILE S 7 2.077 -11.758 4.947 1.00 0.00 O ATOM 0 H ILE S 7 3.101 -8.143 4.109 1.00 0.00 H new ATOM 0 HA ILE S 7 1.192 -9.552 5.910 1.00 0.00 H new ATOM 0 HB ILE S 7 -0.338 -9.904 4.217 1.00 0.00 H new ATOM 0 HG12 ILE S 7 1.967 -9.515 2.274 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.033 -10.969 2.562 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.680 -7.771 2.978 1.00 0.00 H new ATOM 0 HG22 ILE S 7 -0.236 -7.469 4.674 1.00 0.00 H new ATOM 0 HG23 ILE S 7 0.979 -7.275 3.388 1.00 0.00 H new ATOM 0 HD11 ILE S 7 0.319 -9.873 0.449 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -1.008 -9.857 1.635 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.058 -8.381 1.343 1.00 0.00 H new TER 1143 ILE S 7 ATOM 1144 N ILE U 1 4.624 11.747 0.632 1.00 0.00 N ATOM 1145 CA ILE U 1 3.883 10.470 0.832 1.00 0.00 C ATOM 1146 C ILE U 1 4.845 9.302 0.668 1.00 0.00 C ATOM 1147 O ILE U 1 5.433 9.113 -0.406 1.00 0.00 O ATOM 1148 CB ILE U 1 2.764 10.361 -0.212 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.797 11.535 -0.031 1.00 0.00 C ATOM 1150 CG2 ILE U 1 2.011 9.045 -0.018 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.852 11.615 -1.231 1.00 0.00 C ATOM 0 H1 ILE U 1 4.134 12.515 1.134 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.590 11.650 1.006 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.666 11.968 -0.383 1.00 0.00 H new ATOM 0 HA ILE U 1 3.449 10.450 1.832 1.00 0.00 H new ATOM 0 HB ILE U 1 3.191 10.386 -1.214 1.00 0.00 H new ATOM 0 HG12 ILE U 1 1.224 11.408 0.887 1.00 0.00 H new ATOM 0 HG13 ILE U 1 2.355 12.466 0.067 1.00 0.00 H new ATOM 0 HG21 ILE U 1 1.216 8.968 -0.760 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.701 8.210 -0.138 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.578 9.018 0.982 1.00 0.00 H new ATOM 0 HD11 ILE U 1 0.166 12.451 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE U 1 1.432 11.763 -2.142 1.00 0.00 H new ATOM 0 HD13 ILE U 1 0.284 10.688 -1.309 1.00 0.00 H new ATOM 1165 N HIS U 2 4.999 8.498 1.725 1.00 0.00 N ATOM 1166 CA HIS U 2 5.879 7.332 1.644 1.00 0.00 C ATOM 1167 C HIS U 2 5.027 6.070 1.668 1.00 0.00 C ATOM 1168 O HIS U 2 4.265 5.843 2.611 1.00 0.00 O ATOM 1169 CB HIS U 2 6.851 7.321 2.848 1.00 0.00 C ATOM 1170 CG HIS U 2 8.105 8.106 2.537 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.362 7.514 2.500 1.00 0.00 N ATOM 1172 CD2 HIS U 2 8.314 9.437 2.265 1.00 0.00 C ATOM 1173 CE1 HIS U 2 10.257 8.478 2.218 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.672 9.668 2.065 1.00 0.00 N ATOM 0 H HIS U 2 4.538 8.629 2.625 1.00 0.00 H new ATOM 0 HA HIS U 2 6.458 7.374 0.721 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.358 7.747 3.722 1.00 0.00 H new ATOM 0 HB3 HIS U 2 7.114 6.293 3.099 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.541 10.190 2.214 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.320 8.310 2.127 1.00 0.00 H new ATOM 0 HE2 HIS U 2 10.123 10.557 1.848 1.00 0.00 H new ATOM 1182 N VAL U 3 5.189 5.234 0.644 1.00 0.00 N ATOM 1183 CA VAL U 3 4.463 3.968 0.569 1.00 0.00 C ATOM 1184 C VAL U 3 5.451 2.808 0.645 1.00 0.00 C ATOM 1185 O VAL U 3 6.378 2.731 -0.166 1.00 0.00 O ATOM 1186 CB VAL U 3 3.680 3.901 -0.745 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.935 2.569 -0.823 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.672 5.057 -0.804 1.00 0.00 C ATOM 0 H VAL U 3 5.814 5.410 -0.143 1.00 0.00 H new ATOM 0 HA VAL U 3 3.765 3.899 1.404 1.00 0.00 H new ATOM 0 HB VAL U 3 4.371 3.983 -1.584 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.377 2.519 -1.758 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.652 1.749 -0.784 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.245 2.488 0.017 1.00 0.00 H new ATOM 0 HG21 VAL U 3 2.116 5.007 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.979 4.979 0.034 1.00 0.00 H new ATOM 0 HG23 VAL U 3 3.204 6.007 -0.748 1.00 0.00 H new ATOM 1198 N HIS U 4 5.247 1.890 1.591 1.00 0.00 N ATOM 1199 CA HIS U 4 6.138 0.726 1.721 1.00 0.00 C ATOM 1200 C HIS U 4 5.324 -0.544 1.490 1.00 0.00 C ATOM 1201 O HIS U 4 4.269 -0.720 2.105 1.00 0.00 O ATOM 1202 CB HIS U 4 6.787 0.714 3.133 1.00 0.00 C ATOM 1203 CG HIS U 4 7.581 2.000 3.399 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.608 2.625 4.655 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.370 2.794 2.586 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.374 3.726 4.547 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.861 3.878 3.312 1.00 0.00 N ATOM 0 H HIS U 4 4.487 1.924 2.270 1.00 0.00 H new ATOM 0 HA HIS U 4 6.936 0.780 0.981 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.011 0.601 3.890 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.448 -0.148 3.223 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.575 2.602 1.543 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.572 4.406 5.362 1.00 0.00 H new ATOM 1214 N LEU U 5 5.797 -1.423 0.596 1.00 0.00 N ATOM 1215 CA LEU U 5 5.064 -2.660 0.287 1.00 0.00 C ATOM 1216 C LEU U 5 5.940 -3.876 0.539 1.00 0.00 C ATOM 1217 O LEU U 5 6.893 -4.126 -0.201 1.00 0.00 O ATOM 1218 CB LEU U 5 4.652 -2.631 -1.183 1.00 0.00 C ATOM 1219 CG LEU U 5 4.018 -1.276 -1.521 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.784 -1.172 -3.032 1.00 0.00 C ATOM 1221 CD2 LEU U 5 2.683 -1.131 -0.783 1.00 0.00 C ATOM 0 H LEU U 5 6.669 -1.305 0.081 1.00 0.00 H new ATOM 0 HA LEU U 5 4.185 -2.725 0.928 1.00 0.00 H new ATOM 0 HB2 LEU U 5 5.522 -2.804 -1.817 1.00 0.00 H new ATOM 0 HB3 LEU U 5 3.944 -3.434 -1.387 1.00 0.00 H new ATOM 0 HG LEU U 5 4.693 -0.479 -1.207 1.00 0.00 H new ATOM 0 HD11 LEU U 5 3.333 -0.207 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU U 5 4.736 -1.264 -3.555 1.00 0.00 H new ATOM 0 HD13 LEU U 5 3.116 -1.971 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU U 5 2.236 -0.167 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.009 -1.931 -1.089 1.00 0.00 H new ATOM 0 HD23 LEU U 5 2.853 -1.192 0.292 1.00 0.00 H new ATOM 1233 N GLN U 6 5.600 -4.647 1.571 1.00 0.00 N ATOM 1234 CA GLN U 6 6.354 -5.855 1.897 1.00 0.00 C ATOM 1235 C GLN U 6 5.404 -7.040 1.977 1.00 0.00 C ATOM 1236 O GLN U 6 4.512 -7.090 2.833 1.00 0.00 O ATOM 1237 CB GLN U 6 7.087 -5.665 3.224 1.00 0.00 C ATOM 1238 CG GLN U 6 7.984 -6.875 3.489 1.00 0.00 C ATOM 1239 CD GLN U 6 8.663 -6.741 4.846 1.00 0.00 C ATOM 1240 OE1 GLN U 6 7.998 -6.718 5.885 1.00 0.00 O ATOM 1241 NE2 GLN U 6 9.964 -6.631 4.892 1.00 0.00 N ATOM 0 H GLN U 6 4.813 -4.458 2.191 1.00 0.00 H new ATOM 0 HA GLN U 6 7.092 -6.047 1.118 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.686 -4.755 3.194 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.368 -5.547 4.035 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.391 -7.789 3.460 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.736 -6.958 2.705 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.508 -6.651 4.030 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.435 -6.525 5.790 1.00 0.00 H new ATOM 1250 N ILE U 7 5.590 -7.996 1.070 1.00 0.00 N ATOM 1251 CA ILE U 7 4.733 -9.175 1.035 1.00 0.00 C ATOM 1252 C ILE U 7 5.563 -10.428 0.775 1.00 0.00 C ATOM 1253 O ILE U 7 4.985 -11.431 0.389 1.00 0.00 O ATOM 1254 CB ILE U 7 3.659 -8.997 -0.053 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.311 -8.913 -1.442 1.00 0.00 C ATOM 1256 CG2 ILE U 7 2.882 -7.697 0.206 1.00 0.00 C ATOM 1257 CD1 ILE U 7 3.232 -8.952 -2.534 1.00 0.00 C ATOM 1258 OXT ILE U 7 6.767 -10.365 0.964 1.00 0.00 O ATOM 0 H ILE U 7 6.319 -7.977 0.357 1.00 0.00 H new ATOM 0 HA ILE U 7 4.242 -9.291 2.001 1.00 0.00 H new ATOM 0 HB ILE U 7 2.986 -9.854 -0.022 1.00 0.00 H new ATOM 0 HG12 ILE U 7 4.891 -7.994 -1.525 1.00 0.00 H new ATOM 0 HG13 ILE U 7 5.006 -9.742 -1.577 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.121 -7.569 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE U 7 2.404 -7.747 1.184 1.00 0.00 H new ATOM 0 HG23 ILE U 7 3.569 -6.851 0.181 1.00 0.00 H new ATOM 0 HD11 ILE U 7 3.704 -8.892 -3.515 1.00 0.00 H new ATOM 0 HD12 ILE U 7 2.671 -9.883 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE U 7 2.554 -8.108 -2.406 1.00 0.00 H new TER 1270 ILE U 7 ATOM 1271 N ILE W 1 7.771 11.737 -3.289 1.00 0.00 N ATOM 1272 CA ILE W 1 6.988 10.496 -3.028 1.00 0.00 C ATOM 1273 C ILE W 1 7.903 9.286 -3.164 1.00 0.00 C ATOM 1274 O ILE W 1 8.581 9.128 -4.180 1.00 0.00 O ATOM 1275 CB ILE W 1 5.852 10.392 -4.047 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.892 11.568 -3.864 1.00 0.00 C ATOM 1277 CG2 ILE W 1 5.099 9.083 -3.832 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.911 11.604 -5.035 1.00 0.00 C ATOM 0 H1 ILE W 1 7.338 12.534 -2.781 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.749 11.607 -2.959 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.774 11.937 -4.309 1.00 0.00 H new ATOM 0 HA ILE W 1 6.573 10.528 -2.021 1.00 0.00 H new ATOM 0 HB ILE W 1 6.264 10.415 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE W 1 4.350 11.468 -2.923 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.450 12.503 -3.812 1.00 0.00 H new ATOM 0 HG21 ILE W 1 4.289 9.006 -4.557 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.783 8.244 -3.962 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.687 9.062 -2.823 1.00 0.00 H new ATOM 0 HD11 ILE W 1 3.224 12.441 -4.909 1.00 0.00 H new ATOM 0 HD12 ILE W 1 4.462 11.724 -5.968 1.00 0.00 H new ATOM 0 HD13 ILE W 1 3.346 10.672 -5.065 1.00 0.00 H new ATOM 1292 N HIS W 2 7.911 8.416 -2.149 1.00 0.00 N ATOM 1293 CA HIS W 2 8.736 7.227 -2.203 1.00 0.00 C ATOM 1294 C HIS W 2 7.848 5.991 -2.270 1.00 0.00 C ATOM 1295 O HIS W 2 7.043 5.759 -1.371 1.00 0.00 O ATOM 1296 CB HIS W 2 9.569 7.189 -0.904 1.00 0.00 C ATOM 1297 CG HIS W 2 10.262 5.864 -0.758 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.542 5.268 0.483 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.767 5.022 -1.698 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.192 4.121 0.237 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.358 3.919 -1.073 1.00 0.00 N ATOM 0 H HIS W 2 7.361 8.519 -1.296 1.00 0.00 H new ATOM 0 HA HIS W 2 9.381 7.243 -3.082 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.306 7.992 -0.915 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.921 7.363 -0.045 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.719 5.181 -2.765 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.539 3.444 1.004 1.00 0.00 H new ATOM 1308 N VAL W 3 8.031 5.175 -3.314 1.00 0.00 N ATOM 1309 CA VAL W 3 7.266 3.931 -3.448 1.00 0.00 C ATOM 1310 C VAL W 3 8.214 2.744 -3.434 1.00 0.00 C ATOM 1311 O VAL W 3 9.097 2.660 -4.289 1.00 0.00 O ATOM 1312 CB VAL W 3 6.487 3.943 -4.763 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.675 2.649 -4.883 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.550 5.160 -4.796 1.00 0.00 C ATOM 0 H VAL W 3 8.693 5.350 -4.069 1.00 0.00 H new ATOM 0 HA VAL W 3 6.568 3.849 -2.615 1.00 0.00 H new ATOM 0 HB VAL W 3 7.181 4.009 -5.601 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.118 2.654 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.350 1.793 -4.867 1.00 0.00 H new ATOM 0 HG13 VAL W 3 4.979 2.578 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.995 5.167 -5.734 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.851 5.104 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL W 3 6.138 6.074 -4.715 1.00 0.00 H new ATOM 1324 N HIS W 4 8.032 1.813 -2.497 1.00 0.00 N ATOM 1325 CA HIS W 4 8.881 0.646 -2.443 1.00 0.00 C ATOM 1326 C HIS W 4 8.095 -0.646 -2.640 1.00 0.00 C ATOM 1327 O HIS W 4 7.088 -0.880 -1.967 1.00 0.00 O ATOM 1328 CB HIS W 4 9.633 0.656 -1.100 1.00 0.00 C ATOM 1329 CG HIS W 4 10.856 -0.212 -1.195 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.172 0.264 -1.041 1.00 0.00 N ATOM 1331 CD2 HIS W 4 10.962 -1.541 -1.425 1.00 0.00 C ATOM 1332 CE1 HIS W 4 12.990 -0.791 -1.185 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.306 -1.917 -1.418 1.00 0.00 N ATOM 0 H HIS W 4 7.310 1.852 -1.777 1.00 0.00 H new ATOM 0 HA HIS W 4 9.596 0.684 -3.265 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.919 1.675 -0.840 1.00 0.00 H new ATOM 0 HB3 HIS W 4 8.981 0.295 -0.305 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.131 -2.211 -1.589 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.067 -0.737 -1.121 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.686 -2.853 -1.560 1.00 0.00 H new ATOM 1341 N LEU W 5 8.588 -1.502 -3.548 1.00 0.00 N ATOM 1342 CA LEU W 5 7.953 -2.795 -3.815 1.00 0.00 C ATOM 1343 C LEU W 5 8.903 -3.930 -3.472 1.00 0.00 C ATOM 1344 O LEU W 5 9.974 -4.056 -4.063 1.00 0.00 O ATOM 1345 CB LEU W 5 7.532 -2.886 -5.290 1.00 0.00 C ATOM 1346 CG LEU W 5 7.019 -4.296 -5.621 1.00 0.00 C ATOM 1347 CD1 LEU W 5 5.808 -4.625 -4.742 1.00 0.00 C ATOM 1348 CD2 LEU W 5 6.616 -4.347 -7.099 1.00 0.00 C ATOM 0 H LEU W 5 9.422 -1.320 -4.107 1.00 0.00 H new ATOM 0 HA LEU W 5 7.064 -2.881 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU W 5 6.753 -2.152 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU W 5 8.379 -2.642 -5.931 1.00 0.00 H new ATOM 0 HG LEU W 5 7.804 -5.027 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.447 -5.626 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.098 -4.584 -3.692 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.016 -3.900 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU W 5 6.251 -5.345 -7.342 1.00 0.00 H new ATOM 0 HD22 LEU W 5 5.829 -3.617 -7.287 1.00 0.00 H new ATOM 0 HD23 LEU W 5 7.481 -4.116 -7.720 1.00 0.00 H new ATOM 1360 N GLN W 6 8.489 -4.774 -2.526 1.00 0.00 N ATOM 1361 CA GLN W 6 9.294 -5.922 -2.124 1.00 0.00 C ATOM 1362 C GLN W 6 8.402 -7.151 -2.015 1.00 0.00 C ATOM 1363 O GLN W 6 7.606 -7.279 -1.080 1.00 0.00 O ATOM 1364 CB GLN W 6 9.991 -5.637 -0.787 1.00 0.00 C ATOM 1365 CG GLN W 6 10.914 -6.805 -0.428 1.00 0.00 C ATOM 1366 CD GLN W 6 11.558 -6.577 0.938 1.00 0.00 C ATOM 1367 OE1 GLN W 6 10.868 -6.499 1.957 1.00 0.00 O ATOM 1368 NE2 GLN W 6 12.855 -6.451 1.016 1.00 0.00 N ATOM 0 H GLN W 6 7.604 -4.683 -2.027 1.00 0.00 H new ATOM 0 HA GLN W 6 10.063 -6.108 -2.874 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.566 -4.714 -0.855 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.249 -5.493 -0.002 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.346 -7.735 -0.418 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.688 -6.912 -1.188 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.425 -6.516 0.173 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.298 -6.288 1.920 1.00 0.00 H new ATOM 1377 N ILE W 7 8.541 -8.058 -2.983 1.00 0.00 N ATOM 1378 CA ILE W 7 7.742 -9.287 -2.997 1.00 0.00 C ATOM 1379 C ILE W 7 8.659 -10.486 -3.229 1.00 0.00 C ATOM 1380 O ILE W 7 9.790 -10.272 -3.634 1.00 0.00 O ATOM 1381 CB ILE W 7 6.642 -9.197 -4.089 1.00 0.00 C ATOM 1382 CG1 ILE W 7 7.145 -9.775 -5.424 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.237 -7.736 -4.285 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.196 -9.396 -6.570 1.00 0.00 C ATOM 1385 OXT ILE W 7 8.217 -11.598 -2.995 1.00 0.00 O ATOM 0 H ILE W 7 9.193 -7.968 -3.762 1.00 0.00 H new ATOM 0 HA ILE W 7 7.245 -9.413 -2.035 1.00 0.00 H new ATOM 0 HB ILE W 7 5.781 -9.781 -3.763 1.00 0.00 H new ATOM 0 HG12 ILE W 7 8.146 -9.399 -5.635 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.220 -10.860 -5.351 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.465 -7.672 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE W 7 5.851 -7.336 -3.347 1.00 0.00 H new ATOM 0 HG23 ILE W 7 7.106 -7.156 -4.596 1.00 0.00 H new ATOM 0 HD11 ILE W 7 6.569 -9.814 -7.505 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.202 -9.794 -6.366 1.00 0.00 H new ATOM 0 HD13 ILE W 7 6.142 -8.311 -6.654 1.00 0.00 H new TER 1397 ILE W 7 ATOM 1398 N ILE Y 1 10.173 11.856 -7.332 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.451 10.560 -7.196 1.00 0.00 C ATOM 1400 C ILE Y 1 10.449 9.417 -7.295 1.00 0.00 C ATOM 1401 O ILE Y 1 11.052 9.207 -8.347 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.429 10.430 -8.327 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.425 11.584 -8.225 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.699 9.093 -8.202 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.576 11.641 -9.498 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.663 12.594 -6.806 1.00 0.00 H new ATOM 0 H2 ILE Y 1 11.135 11.759 -6.948 1.00 0.00 H new ATOM 0 H3 ILE Y 1 10.226 12.120 -8.336 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.942 10.524 -6.233 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.934 10.470 -9.292 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.784 11.446 -7.354 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.953 12.527 -8.085 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.971 8.999 -9.007 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.419 8.278 -8.268 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 7.186 9.047 -7.242 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.863 12.462 -9.423 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 7.223 11.800 -10.360 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 6.036 10.702 -9.618 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.608 8.655 -6.212 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.527 7.517 -6.235 1.00 0.00 C ATOM 1421 C HIS Y 2 10.714 6.230 -6.249 1.00 0.00 C ATOM 1422 O HIS Y 2 9.905 5.989 -5.353 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.415 7.540 -4.970 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.660 8.359 -5.200 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.930 7.799 -5.152 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.849 9.695 -5.458 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.816 8.788 -5.376 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.209 9.963 -5.569 1.00 0.00 N ATOM 0 H HIS Y 2 10.124 8.800 -5.326 1.00 0.00 H new ATOM 0 HA HIS Y 2 12.159 7.574 -7.122 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.852 7.954 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.691 6.522 -4.696 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 13.061 10.426 -5.559 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.887 8.649 -5.397 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.649 10.864 -5.757 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.962 5.393 -7.252 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.281 4.103 -7.361 1.00 0.00 C ATOM 1438 C VAL Y 3 11.302 2.975 -7.218 1.00 0.00 C ATOM 1439 O VAL Y 3 12.281 2.934 -7.963 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.577 4.009 -8.718 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.886 2.651 -8.839 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.535 5.129 -8.842 1.00 0.00 C ATOM 0 H VAL Y 3 11.628 5.583 -8.001 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.538 4.012 -6.569 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.313 4.116 -9.514 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.384 2.583 -9.804 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.628 1.857 -8.759 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.152 2.544 -8.040 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 8.037 5.057 -9.809 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.797 5.029 -8.046 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 9.030 6.097 -8.759 1.00 0.00 H new ATOM 1452 N HIS Y 4 11.074 2.046 -6.286 1.00 0.00 N ATOM 1453 CA HIS Y 4 12.001 0.913 -6.103 1.00 0.00 C ATOM 1454 C HIS Y 4 11.254 -0.389 -6.388 1.00 0.00 C ATOM 1455 O HIS Y 4 10.171 -0.612 -5.845 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.574 0.911 -4.657 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.287 2.223 -4.322 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.216 2.811 -3.051 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.085 3.070 -5.068 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.941 3.945 -3.085 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.490 4.152 -4.286 1.00 0.00 N ATOM 0 H HIS Y 4 10.273 2.049 -5.655 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.838 1.009 -6.795 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.764 0.747 -3.946 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.271 0.080 -4.544 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.355 2.917 -6.102 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.064 4.609 -2.242 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.826 -1.243 -7.247 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.181 -2.514 -7.611 1.00 0.00 C ATOM 1470 C LEU Y 5 12.083 -3.687 -7.264 1.00 0.00 C ATOM 1471 O LEU Y 5 13.112 -3.896 -7.903 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.907 -2.508 -9.116 1.00 0.00 C ATOM 1473 CG LEU Y 5 10.176 -1.213 -9.502 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.998 -1.152 -11.024 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 8.799 -1.166 -8.826 1.00 0.00 C ATOM 0 H LEU Y 5 12.725 -1.081 -7.700 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.249 -2.619 -7.056 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 11.844 -2.586 -9.667 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 10.303 -3.373 -9.389 1.00 0.00 H new ATOM 0 HG LEU Y 5 10.769 -0.361 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 9.479 -0.232 -11.293 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 10.976 -1.171 -11.506 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 9.413 -2.009 -11.357 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 8.288 -0.245 -9.105 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.206 -2.022 -9.148 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 8.924 -1.198 -7.744 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.681 -4.469 -6.263 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.457 -5.640 -5.859 1.00 0.00 C ATOM 1489 C GLN Y 6 11.542 -6.856 -5.821 1.00 0.00 C ATOM 1490 O GLN Y 6 10.607 -6.932 -5.012 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.088 -5.404 -4.486 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.034 -6.559 -4.150 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.600 -6.383 -2.744 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 13.856 -6.382 -1.767 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 15.885 -6.219 -2.586 1.00 0.00 N ATOM 0 H GLN Y 6 10.831 -4.315 -5.721 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.257 -5.814 -6.578 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.634 -4.461 -4.483 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.311 -5.325 -3.726 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.501 -7.507 -4.220 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 14.847 -6.596 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.503 -6.220 -3.398 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.271 -6.090 -1.651 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.805 -7.804 -6.716 1.00 0.00 N ATOM 1505 CA ILE Y 7 10.994 -9.012 -6.804 1.00 0.00 C ATOM 1506 C ILE Y 7 11.884 -10.235 -6.997 1.00 0.00 C ATOM 1507 O ILE Y 7 11.359 -11.276 -7.355 1.00 0.00 O ATOM 1508 CB ILE Y 7 9.995 -8.877 -7.971 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.741 -8.765 -9.315 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.143 -7.616 -7.766 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.740 -8.861 -10.477 1.00 0.00 C ATOM 1512 OXT ILE Y 7 13.079 -10.111 -6.785 1.00 0.00 O ATOM 0 H ILE Y 7 12.571 -7.759 -7.388 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.438 -9.141 -5.875 1.00 0.00 H new ATOM 0 HB ILE Y 7 9.361 -9.763 -7.991 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 11.280 -7.819 -9.364 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 11.483 -9.559 -9.396 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.435 -7.517 -8.589 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 8.597 -7.695 -6.826 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 9.791 -6.740 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 10.273 -8.781 -11.424 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 9.221 -9.819 -10.432 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.014 -8.051 -10.400 1.00 0.00 H new TER 1524 ILE Y 7 HETATM 1525 ZN ZN A 101 -14.032 -2.089 2.894 1.00 0.00 ZN HETATM 1526 ZN ZN C 101 -11.162 -5.570 -1.199 1.00 0.00 ZN HETATM 1527 ZN ZN E 101 -8.350 -1.935 -4.841 1.00 0.00 ZN HETATM 1528 ZN ZN G 101 -5.297 -5.634 -8.940 1.00 0.00 ZN HETATM 1529 ZN ZN I 101 -2.472 -2.114 -12.616 1.00 0.00 ZN HETATM 1530 ZN ZN K 101 0.414 -5.628 -16.439 1.00 0.00 ZN HETATM 1531 ZN ZN O 101 0.918 1.835 14.235 1.00 0.00 ZN HETATM 1532 ZN ZN Q 101 4.018 5.510 10.321 1.00 0.00 ZN HETATM 1533 ZN ZN S 101 6.813 1.940 6.578 1.00 0.00 ZN HETATM 1534 ZN ZN U 101 9.846 5.674 2.503 1.00 0.00 ZN HETATM 1535 ZN ZN W 101 12.487 2.266 -1.008 1.00 0.00 ZN HETATM 1536 ZN ZN Y 101 15.376 5.866 -4.924 1.00 0.00 ZN