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= 0.597 K(o=5.7,f=4.2) USER MOD Set 1.2: Q 6 GLN : amide:sc= 1.24 K(o=5.7,f=2.2) USER MOD Set 1.3: S 6 GLN : amide:sc= 1.15 K(o=5.7,f=-0.53!) USER MOD Set 1.4: U 6 GLN : amide:sc= 1.24 K(o=5.7,f=-2.4!) USER MOD Set 1.5: W 6 GLN : amide:sc= 0.912 K(o=5.7,f=-7.1!) USER MOD Set 1.6: Y 6 GLN : amide:sc= 0.545 K(o=5.7,f=-3.4!) USER MOD Set 2.1: A 6 GLN : amide:sc= 0.755 K(o=6.5,f=4.7) USER MOD Set 2.2: C 6 GLN : amide:sc= 1.57 K(o=6.5,f=1.9) USER MOD Set 2.3: E 6 GLN : amide:sc= 1.34 K(o=6.5,f=-2.2!) USER MOD Set 2.4: G 6 GLN : amide:sc= 1.34 K(o=6.5,f=-2.8!) USER MOD Set 2.5: I 6 GLN : amide:sc= 0.968 K(o=6.5,f=-7.3!) USER MOD Set 2.6: K 6 GLN : amide:sc= 0.484 K(o=6.5,f=-2.9!) USER MOD Single : A 1 ILE N :NH3+ -151:sc= -0.137 (180deg=-1) USER MOD Single : C 1 ILE N :NH3+ -135:sc= -0.144 (180deg=-0.965) USER MOD Single : E 1 ILE N :NH3+ -129:sc= -0.163 (180deg=-0.955) USER MOD Single : G 1 ILE N :NH3+ -153:sc= -0.152 (180deg=-0.97) USER MOD Single : I 1 ILE N :NH3+ -152:sc= -0.14 (180deg=-0.88) USER MOD Single : K 1 ILE N :NH3+ -136:sc= -0.188 (180deg=-1.08) USER MOD Single : O 1 ILE N :NH3+ -151:sc= -0.119 (180deg=-1.04) USER MOD Single : Q 1 ILE N :NH3+ -137:sc= -0.213 (180deg=-1.03) USER MOD Single : S 1 ILE N :NH3+ -153:sc= -0.121 (180deg=-0.968) USER MOD Single : U 1 ILE N :NH3+ -151:sc= -0.201 (180deg=-1.07) USER MOD Single : W 1 ILE N :NH3+ -156:sc= -0.122 (180deg=-0.824) USER MOD Single : Y 1 ILE N :NH3+ -151:sc= -0.223 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.210 -11.682 6.782 1.00 0.00 N ATOM 2 CA ILE A 1 -11.271 -10.476 7.655 1.00 0.00 C ATOM 3 C ILE A 1 -11.202 -9.222 6.788 1.00 0.00 C ATOM 4 O ILE A 1 -10.261 -9.036 6.008 1.00 0.00 O ATOM 5 CB ILE A 1 -10.106 -10.500 8.655 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.270 -11.720 9.568 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.120 -9.227 9.502 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.010 -11.902 10.410 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.723 -12.465 7.235 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.647 -11.468 5.863 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.217 -11.956 6.638 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.208 -10.472 8.212 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.160 -10.556 8.116 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.137 -11.588 10.216 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.452 -12.613 8.970 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.291 -9.251 10.209 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.018 -8.357 8.853 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.061 -9.164 10.049 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.128 -12.770 11.059 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.153 -12.053 9.754 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.848 -11.013 11.019 1.00 0.00 H new ATOM 22 N HIS A 2 -12.214 -8.365 6.924 1.00 0.00 N ATOM 23 CA HIS A 2 -12.272 -7.144 6.168 1.00 0.00 C ATOM 24 C HIS A 2 -12.142 -5.952 7.111 1.00 0.00 C ATOM 25 O HIS A 2 -12.957 -5.798 8.023 1.00 0.00 O ATOM 26 CB HIS A 2 -13.662 -7.156 5.501 1.00 0.00 C ATOM 27 CG HIS A 2 -14.034 -5.811 4.960 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.355 -5.344 4.960 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.296 -4.854 4.339 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.359 -4.153 4.349 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.139 -3.799 3.946 1.00 0.00 N ATOM 0 H HIS A 2 -13.001 -8.508 7.557 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.471 -7.066 5.433 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.670 -7.887 4.693 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.410 -7.475 6.227 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.165 -5.823 5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.230 -4.897 4.173 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.244 -3.552 4.201 1.00 0.00 H new ATOM 38 N VAL A 3 -11.147 -5.082 6.877 1.00 0.00 N ATOM 39 CA VAL A 3 -10.987 -3.885 7.716 1.00 0.00 C ATOM 40 C VAL A 3 -11.152 -2.628 6.860 1.00 0.00 C ATOM 41 O VAL A 3 -10.395 -2.420 5.909 1.00 0.00 O ATOM 42 CB VAL A 3 -9.602 -3.897 8.374 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.466 -2.672 9.277 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.428 -5.179 9.205 1.00 0.00 C ATOM 0 H VAL A 3 -10.457 -5.180 6.133 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.750 -3.885 8.495 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.832 -3.870 7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.483 -2.675 9.748 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.581 -1.766 8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.237 -2.700 10.047 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.442 -5.181 9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.194 -5.217 9.980 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.525 -6.049 8.556 1.00 0.00 H new ATOM 54 N HIS A 4 -12.127 -1.781 7.206 1.00 0.00 N ATOM 55 CA HIS A 4 -12.368 -0.549 6.485 1.00 0.00 C ATOM 56 C HIS A 4 -12.235 0.695 7.373 1.00 0.00 C ATOM 57 O HIS A 4 -12.788 0.731 8.473 1.00 0.00 O ATOM 58 CB HIS A 4 -13.764 -0.634 5.845 1.00 0.00 C ATOM 59 CG HIS A 4 -13.852 0.308 4.676 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.117 -0.105 3.359 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.720 1.655 4.628 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.132 1.001 2.596 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.898 2.102 3.319 1.00 0.00 N ATOM 0 H HIS A 4 -12.761 -1.938 7.989 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.605 -0.438 5.715 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.961 -1.654 5.516 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.527 -0.384 6.582 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.508 2.288 5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.311 1.001 1.531 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.858 3.065 2.984 1.00 0.00 H new ATOM 71 N LEU A 5 -11.536 1.728 6.882 1.00 0.00 N ATOM 72 CA LEU A 5 -11.388 2.982 7.643 1.00 0.00 C ATOM 73 C LEU A 5 -11.392 4.175 6.689 1.00 0.00 C ATOM 74 O LEU A 5 -10.522 4.303 5.814 1.00 0.00 O ATOM 75 CB LEU A 5 -10.088 2.966 8.461 1.00 0.00 C ATOM 76 CG LEU A 5 -8.926 2.443 7.580 1.00 0.00 C ATOM 77 CD1 LEU A 5 -7.673 3.315 7.758 1.00 0.00 C ATOM 78 CD2 LEU A 5 -8.599 0.986 7.950 1.00 0.00 C ATOM 0 H LEU A 5 -11.069 1.724 5.975 1.00 0.00 H new ATOM 0 HA LEU A 5 -12.229 3.072 8.331 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.861 3.969 8.822 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -10.207 2.331 9.339 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.239 2.490 6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.869 2.930 7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.900 4.341 7.468 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.360 3.293 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.781 0.627 7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.305 0.934 8.998 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.479 0.363 7.789 1.00 0.00 H new ATOM 90 N GLN A 6 -12.375 5.055 6.868 1.00 0.00 N ATOM 91 CA GLN A 6 -12.487 6.252 6.038 1.00 0.00 C ATOM 92 C GLN A 6 -12.127 7.468 6.880 1.00 0.00 C ATOM 93 O GLN A 6 -12.851 7.827 7.809 1.00 0.00 O ATOM 94 CB GLN A 6 -13.916 6.393 5.509 1.00 0.00 C ATOM 95 CG GLN A 6 -13.988 7.581 4.549 1.00 0.00 C ATOM 96 CD GLN A 6 -15.422 7.795 4.084 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.347 7.807 4.895 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.659 7.965 2.813 1.00 0.00 N ATOM 0 H GLN A 6 -13.102 4.962 7.577 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.808 6.174 5.189 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.218 5.479 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.609 6.538 6.337 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.620 8.480 5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.342 7.403 3.689 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.889 7.954 2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.615 8.109 2.487 1.00 0.00 H new ATOM 107 N ILE A 7 -11.001 8.098 6.554 1.00 0.00 N ATOM 108 CA ILE A 7 -10.545 9.273 7.294 1.00 0.00 C ATOM 109 C ILE A 7 -10.761 10.532 6.458 1.00 0.00 C ATOM 110 O ILE A 7 -11.681 11.272 6.763 1.00 0.00 O ATOM 111 CB ILE A 7 -9.054 9.123 7.634 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.767 7.695 8.118 1.00 0.00 C ATOM 113 CG2 ILE A 7 -8.663 10.120 8.718 1.00 0.00 C ATOM 114 CD1 ILE A 7 -9.636 7.351 9.333 1.00 0.00 C ATOM 115 OXT ILE A 7 -10.001 10.737 5.524 1.00 0.00 O ATOM 0 H ILE A 7 -10.390 7.817 5.787 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.118 9.358 8.217 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.467 9.322 6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.962 6.987 7.313 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.713 7.599 8.379 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.605 10.006 8.952 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.849 11.134 8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.255 9.934 9.614 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -9.417 6.335 9.661 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -9.421 8.048 10.143 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.689 7.426 9.060 1.00 0.00 H new TER 127 ILE A 7 ATOM 128 N ILE C 1 -7.805 -11.729 3.260 1.00 0.00 N ATOM 129 CA ILE C 1 -7.910 -10.495 4.090 1.00 0.00 C ATOM 130 C ILE C 1 -7.955 -9.277 3.175 1.00 0.00 C ATOM 131 O ILE C 1 -7.020 -9.030 2.399 1.00 0.00 O ATOM 132 CB ILE C 1 -6.691 -10.400 5.016 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.673 -11.604 5.961 1.00 0.00 C ATOM 134 CG2 ILE C 1 -6.768 -9.112 5.838 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.334 -11.651 6.701 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.467 -12.446 3.619 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.040 -11.504 2.272 1.00 0.00 H new ATOM 0 H3 ILE C 1 -6.834 -12.099 3.309 1.00 0.00 H new ATOM 0 HA ILE C 1 -8.818 -10.531 4.691 1.00 0.00 H new ATOM 0 HB ILE C 1 -5.782 -10.393 4.415 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.493 -11.532 6.675 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -6.822 -12.525 5.397 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -5.901 -9.047 6.495 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -6.780 -8.253 5.168 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -7.678 -9.117 6.438 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.320 -12.508 7.374 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.522 -11.743 5.979 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.204 -10.735 7.277 1.00 0.00 H new ATOM 149 N HIS C 2 -9.042 -8.505 3.262 1.00 0.00 N ATOM 150 CA HIS C 2 -9.162 -7.298 2.437 1.00 0.00 C ATOM 151 C HIS C 2 -9.089 -6.064 3.338 1.00 0.00 C ATOM 152 O HIS C 2 -9.910 -5.910 4.245 1.00 0.00 O ATOM 153 CB HIS C 2 -10.524 -7.312 1.703 1.00 0.00 C ATOM 154 CG HIS C 2 -10.444 -8.097 0.413 1.00 0.00 C ATOM 155 ND1 HIS C 2 -10.709 -7.514 -0.816 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.171 -9.420 0.143 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.593 -8.470 -1.757 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.268 -9.650 -1.227 1.00 0.00 N ATOM 0 H HIS C 2 -9.834 -8.687 3.879 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.353 -7.271 1.707 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.284 -7.749 2.351 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -10.836 -6.289 1.490 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -9.920 -10.166 0.882 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -10.745 -8.302 -2.813 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.122 -10.531 -1.719 1.00 0.00 H new ATOM 166 N VAL C 3 -8.145 -5.159 3.064 1.00 0.00 N ATOM 167 CA VAL C 3 -8.046 -3.923 3.846 1.00 0.00 C ATOM 168 C VAL C 3 -8.319 -2.723 2.946 1.00 0.00 C ATOM 169 O VAL C 3 -7.640 -2.540 1.931 1.00 0.00 O ATOM 170 CB VAL C 3 -6.656 -3.813 4.474 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.572 -2.528 5.298 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.416 -5.022 5.381 1.00 0.00 C ATOM 0 H VAL C 3 -7.451 -5.255 2.322 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.788 -3.941 4.645 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.898 -3.790 3.691 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.582 -2.448 5.747 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.748 -1.669 4.651 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -7.326 -2.550 6.085 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.426 -4.948 5.831 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -7.171 -5.043 6.167 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.479 -5.937 4.792 1.00 0.00 H new ATOM 182 N HIS C 4 -9.289 -1.894 3.325 1.00 0.00 N ATOM 183 CA HIS C 4 -9.620 -0.691 2.545 1.00 0.00 C ATOM 184 C HIS C 4 -9.432 0.568 3.391 1.00 0.00 C ATOM 185 O HIS C 4 -9.954 0.653 4.508 1.00 0.00 O ATOM 186 CB HIS C 4 -11.087 -0.760 2.048 1.00 0.00 C ATOM 187 CG HIS C 4 -11.397 -2.067 1.314 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.586 -2.774 1.530 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.716 -2.791 0.352 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.576 -3.852 0.727 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.464 -3.915 -0.012 1.00 0.00 N ATOM 0 H HIS C 4 -9.859 -2.026 4.160 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.948 -0.648 1.688 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.761 -0.656 2.899 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.282 0.081 1.383 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.752 -2.528 -0.057 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.372 -4.581 0.684 1.00 0.00 H new ATOM 198 N LEU C 5 -8.723 1.571 2.864 1.00 0.00 N ATOM 199 CA LEU C 5 -8.541 2.818 3.614 1.00 0.00 C ATOM 200 C LEU C 5 -8.533 4.018 2.673 1.00 0.00 C ATOM 201 O LEU C 5 -7.750 4.082 1.717 1.00 0.00 O ATOM 202 CB LEU C 5 -7.242 2.777 4.437 1.00 0.00 C ATOM 203 CG LEU C 5 -6.075 2.244 3.578 1.00 0.00 C ATOM 204 CD1 LEU C 5 -4.763 2.964 3.942 1.00 0.00 C ATOM 205 CD2 LEU C 5 -5.922 0.729 3.792 1.00 0.00 C ATOM 0 H LEU C 5 -8.277 1.548 1.947 1.00 0.00 H new ATOM 0 HA LEU C 5 -9.381 2.922 4.301 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -7.005 3.776 4.804 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -7.378 2.140 5.311 1.00 0.00 H new ATOM 0 HG LEU C 5 -6.295 2.438 2.528 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -3.952 2.575 3.327 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -4.873 4.034 3.764 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -4.534 2.793 4.994 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.097 0.357 3.184 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -5.716 0.529 4.844 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -6.844 0.225 3.500 1.00 0.00 H new ATOM 217 N GLN C 6 -9.412 4.980 2.960 1.00 0.00 N ATOM 218 CA GLN C 6 -9.502 6.193 2.141 1.00 0.00 C ATOM 219 C GLN C 6 -9.129 7.404 2.977 1.00 0.00 C ATOM 220 O GLN C 6 -9.842 7.766 3.913 1.00 0.00 O ATOM 221 CB GLN C 6 -10.925 6.353 1.601 1.00 0.00 C ATOM 222 CG GLN C 6 -10.996 7.580 0.687 1.00 0.00 C ATOM 223 CD GLN C 6 -12.426 7.805 0.222 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.325 8.016 1.038 1.00 0.00 O ATOM 225 NE2 GLN C 6 -12.693 7.770 -1.055 1.00 0.00 N ATOM 0 H GLN C 6 -10.065 4.946 3.743 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.811 6.110 1.302 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.218 5.459 1.050 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.628 6.462 2.427 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -10.636 8.460 1.219 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.343 7.439 -0.175 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -11.946 7.595 -1.728 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -13.648 7.918 -1.381 1.00 0.00 H new ATOM 234 N ILE C 7 -8.011 8.035 2.623 1.00 0.00 N ATOM 235 CA ILE C 7 -7.538 9.213 3.344 1.00 0.00 C ATOM 236 C ILE C 7 -6.986 10.253 2.366 1.00 0.00 C ATOM 237 O ILE C 7 -6.472 11.259 2.827 1.00 0.00 O ATOM 238 CB ILE C 7 -6.457 8.785 4.364 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.189 8.323 3.628 1.00 0.00 C ATOM 240 CG2 ILE C 7 -6.984 7.624 5.235 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.081 7.991 4.639 1.00 0.00 C ATOM 242 OXT ILE C 7 -7.083 10.025 1.170 1.00 0.00 O ATOM 0 H ILE C 7 -7.418 7.751 1.843 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.370 9.670 3.879 1.00 0.00 H new ATOM 0 HB ILE C 7 -6.220 9.640 4.997 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -5.412 7.446 3.020 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -4.849 9.104 2.948 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -6.217 7.329 5.951 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -7.876 7.948 5.772 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -7.232 6.775 4.598 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -3.188 7.665 4.106 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -3.848 8.878 5.228 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -4.420 7.194 5.301 1.00 0.00 H new TER 254 ILE C 7 ATOM 255 N ILE E 1 -5.128 -11.667 -0.693 1.00 0.00 N ATOM 256 CA ILE E 1 -5.093 -10.448 0.164 1.00 0.00 C ATOM 257 C ILE E 1 -5.101 -9.208 -0.722 1.00 0.00 C ATOM 258 O ILE E 1 -4.232 -9.037 -1.584 1.00 0.00 O ATOM 259 CB ILE E 1 -3.834 -10.475 1.038 1.00 0.00 C ATOM 260 CG1 ILE E 1 -3.917 -11.675 1.986 1.00 0.00 C ATOM 261 CG2 ILE E 1 -3.733 -9.188 1.853 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.588 -11.845 2.724 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.889 -12.297 -0.369 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.303 -11.392 -1.681 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.216 -12.163 -0.628 1.00 0.00 H new ATOM 0 HA ILE E 1 -5.969 -10.424 0.812 1.00 0.00 H new ATOM 0 HB ILE E 1 -2.952 -10.559 0.403 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.725 -11.529 2.703 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.149 -12.579 1.423 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -2.835 -9.218 2.470 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -3.682 -8.333 1.179 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -4.610 -9.093 2.493 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.652 -12.700 3.397 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.789 -12.011 2.001 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.374 -10.945 3.300 1.00 0.00 H new ATOM 276 N HIS E 2 -6.094 -8.342 -0.505 1.00 0.00 N ATOM 277 CA HIS E 2 -6.212 -7.129 -1.276 1.00 0.00 C ATOM 278 C HIS E 2 -6.001 -5.917 -0.377 1.00 0.00 C ATOM 279 O HIS E 2 -6.750 -5.734 0.585 1.00 0.00 O ATOM 280 CB HIS E 2 -7.651 -7.124 -1.827 1.00 0.00 C ATOM 281 CG HIS E 2 -8.016 -5.790 -2.405 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.307 -5.242 -2.312 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.293 -4.912 -3.149 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.305 -4.093 -2.993 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.114 -3.836 -3.527 1.00 0.00 N ATOM 0 H HIS E 2 -6.820 -8.469 0.200 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.470 -7.085 -2.073 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -7.750 -7.893 -2.593 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.348 -7.378 -1.028 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.251 -5.024 -3.409 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.166 -3.450 -3.098 1.00 0.00 H new ATOM 292 N VAL E 3 -5.030 -5.054 -0.711 1.00 0.00 N ATOM 293 CA VAL E 3 -4.821 -3.831 0.079 1.00 0.00 C ATOM 294 C VAL E 3 -5.047 -2.606 -0.804 1.00 0.00 C ATOM 295 O VAL E 3 -4.346 -2.425 -1.803 1.00 0.00 O ATOM 296 CB VAL E 3 -3.401 -3.813 0.644 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.213 -2.557 1.498 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.178 -5.063 1.500 1.00 0.00 C ATOM 0 H VAL E 3 -4.394 -5.173 -1.499 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.530 -3.812 0.907 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.679 -3.805 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.201 -2.540 1.903 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.372 -1.671 0.883 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.932 -2.563 2.317 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.166 -5.052 1.904 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.896 -5.075 2.320 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.314 -5.953 0.886 1.00 0.00 H new ATOM 308 N HIS E 4 -6.006 -1.755 -0.428 1.00 0.00 N ATOM 309 CA HIS E 4 -6.292 -0.549 -1.177 1.00 0.00 C ATOM 310 C HIS E 4 -6.123 0.722 -0.342 1.00 0.00 C ATOM 311 O HIS E 4 -6.652 0.812 0.773 1.00 0.00 O ATOM 312 CB HIS E 4 -7.712 -0.655 -1.747 1.00 0.00 C ATOM 313 CG HIS E 4 -7.855 0.257 -2.932 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.163 -0.189 -4.229 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.748 1.606 -3.014 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.232 0.898 -5.015 1.00 0.00 C ATOM 317 NE2 HIS E 4 -7.990 2.020 -4.326 1.00 0.00 N ATOM 0 H HIS E 4 -6.594 -1.888 0.395 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.568 -0.466 -1.987 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -7.919 -1.684 -2.041 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.441 -0.389 -0.982 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.511 2.262 -2.189 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.455 0.870 -6.071 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -7.984 2.975 -4.683 1.00 0.00 H new ATOM 325 N LEU E 5 -5.428 1.721 -0.899 1.00 0.00 N ATOM 326 CA LEU E 5 -5.250 2.994 -0.195 1.00 0.00 C ATOM 327 C LEU E 5 -5.313 4.164 -1.161 1.00 0.00 C ATOM 328 O LEU E 5 -4.524 4.263 -2.110 1.00 0.00 O ATOM 329 CB LEU E 5 -3.910 3.011 0.561 1.00 0.00 C ATOM 330 CG LEU E 5 -2.778 2.494 -0.364 1.00 0.00 C ATOM 331 CD1 LEU E 5 -1.533 3.391 -0.258 1.00 0.00 C ATOM 332 CD2 LEU E 5 -2.408 1.049 0.014 1.00 0.00 C ATOM 0 H LEU E 5 -4.988 1.674 -1.818 1.00 0.00 H new ATOM 0 HA LEU E 5 -6.064 3.094 0.523 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -3.684 4.023 0.896 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -3.977 2.387 1.452 1.00 0.00 H new ATOM 0 HG LEU E 5 -3.139 2.519 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -0.752 3.009 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -1.791 4.408 -0.554 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -1.172 3.393 0.771 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -1.612 0.694 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -2.067 1.020 1.049 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -3.283 0.408 -0.098 1.00 0.00 H new ATOM 344 N GLN E 6 -6.259 5.065 -0.900 1.00 0.00 N ATOM 345 CA GLN E 6 -6.421 6.254 -1.736 1.00 0.00 C ATOM 346 C GLN E 6 -6.004 7.485 -0.943 1.00 0.00 C ATOM 347 O GLN E 6 -6.640 7.842 0.049 1.00 0.00 O ATOM 348 CB GLN E 6 -7.879 6.388 -2.180 1.00 0.00 C ATOM 349 CG GLN E 6 -8.007 7.554 -3.162 1.00 0.00 C ATOM 350 CD GLN E 6 -9.466 7.766 -3.539 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.336 7.815 -2.669 1.00 0.00 O ATOM 352 NE2 GLN E 6 -9.789 7.884 -4.797 1.00 0.00 N ATOM 0 H GLN E 6 -6.919 4.996 -0.125 1.00 0.00 H new ATOM 0 HA GLN E 6 -5.793 6.162 -2.622 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.214 5.464 -2.651 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.520 6.555 -1.315 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -7.604 8.462 -2.714 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.418 7.352 -4.057 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.066 7.843 -5.515 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -10.765 8.017 -5.063 1.00 0.00 H new ATOM 361 N ILE E 7 -4.927 8.129 -1.387 1.00 0.00 N ATOM 362 CA ILE E 7 -4.420 9.322 -0.713 1.00 0.00 C ATOM 363 C ILE E 7 -4.732 10.564 -1.546 1.00 0.00 C ATOM 364 O ILE E 7 -5.624 11.304 -1.164 1.00 0.00 O ATOM 365 CB ILE E 7 -2.899 9.200 -0.520 1.00 0.00 C ATOM 366 CG1 ILE E 7 -2.533 7.768 -0.080 1.00 0.00 C ATOM 367 CG2 ILE E 7 -2.431 10.197 0.538 1.00 0.00 C ATOM 368 CD1 ILE E 7 -3.245 7.405 1.219 1.00 0.00 C ATOM 369 OXT ILE E 7 -4.072 10.758 -2.556 1.00 0.00 O ATOM 0 H ILE E 7 -4.390 7.846 -2.207 1.00 0.00 H new ATOM 0 HA ILE E 7 -4.903 9.413 0.260 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.405 9.418 -1.467 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -2.809 7.060 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -1.454 7.688 0.056 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -1.353 10.107 0.671 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -2.673 11.210 0.216 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -2.932 9.987 1.483 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -2.973 6.391 1.512 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -2.948 8.101 2.003 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -4.323 7.463 1.071 1.00 0.00 H new TER 381 ILE E 7 ATOM 382 N ILE G 1 -1.596 -11.750 -4.266 1.00 0.00 N ATOM 383 CA ILE G 1 -1.670 -10.500 -3.459 1.00 0.00 C ATOM 384 C ILE G 1 -1.792 -9.307 -4.400 1.00 0.00 C ATOM 385 O ILE G 1 -0.897 -9.049 -5.215 1.00 0.00 O ATOM 386 CB ILE G 1 -0.397 -10.364 -2.615 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.306 -11.541 -1.640 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.443 -9.055 -1.825 1.00 0.00 C ATOM 389 CD1 ILE G 1 1.075 -11.555 -0.982 1.00 0.00 C ATOM 0 H1 ILE G 1 -1.963 -12.546 -3.707 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.166 -11.640 -5.129 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.607 -11.937 -4.526 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.537 -10.535 -2.799 1.00 0.00 H new ATOM 0 HB ILE G 1 0.474 -10.362 -3.271 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.082 -11.457 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.478 -12.479 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE G 1 0.462 -8.960 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.511 -8.215 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.314 -9.056 -1.169 1.00 0.00 H new ATOM 0 HD11 ILE G 1 1.139 -12.393 -0.288 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.842 -11.660 -1.749 1.00 0.00 H new ATOM 0 HD13 ILE G 1 1.229 -10.622 -0.439 1.00 0.00 H new ATOM 403 N HIS G 2 -2.899 -8.565 -4.288 1.00 0.00 N ATOM 404 CA HIS G 2 -3.088 -7.386 -5.141 1.00 0.00 C ATOM 405 C HIS G 2 -3.000 -6.128 -4.280 1.00 0.00 C ATOM 406 O HIS G 2 -3.775 -5.964 -3.332 1.00 0.00 O ATOM 407 CB HIS G 2 -4.483 -7.445 -5.806 1.00 0.00 C ATOM 408 CG HIS G 2 -4.452 -8.265 -7.077 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.765 -7.715 -8.312 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.185 -9.593 -7.321 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.679 -8.696 -9.228 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.330 -9.861 -8.677 1.00 0.00 N ATOM 0 H HIS G 2 -3.659 -8.752 -3.634 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.317 -7.367 -5.911 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.202 -7.877 -5.110 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -4.824 -6.434 -6.031 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -3.905 -10.318 -6.571 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -4.869 -8.558 -10.282 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.198 -10.755 -9.150 1.00 0.00 H new ATOM 420 N VAL G 3 -2.091 -5.217 -4.638 1.00 0.00 N ATOM 421 CA VAL G 3 -1.969 -3.955 -3.908 1.00 0.00 C ATOM 422 C VAL G 3 -2.318 -2.794 -4.831 1.00 0.00 C ATOM 423 O VAL G 3 -1.709 -2.637 -5.892 1.00 0.00 O ATOM 424 CB VAL G 3 -0.542 -3.804 -3.380 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.428 -2.491 -2.609 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.218 -4.977 -2.452 1.00 0.00 C ATOM 0 H VAL G 3 -1.440 -5.327 -5.415 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.659 -3.953 -3.064 1.00 0.00 H new ATOM 0 HB VAL G 3 0.161 -3.798 -4.213 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.588 -2.378 -2.230 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.662 -1.658 -3.272 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -1.128 -2.498 -1.774 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.799 -4.872 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.917 -4.983 -1.616 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.305 -5.913 -3.004 1.00 0.00 H new ATOM 436 N HIS G 4 -3.280 -1.970 -4.422 1.00 0.00 N ATOM 437 CA HIS G 4 -3.683 -0.805 -5.222 1.00 0.00 C ATOM 438 C HIS G 4 -3.466 0.483 -4.434 1.00 0.00 C ATOM 439 O HIS G 4 -3.926 0.596 -3.290 1.00 0.00 O ATOM 440 CB HIS G 4 -5.179 -0.914 -5.618 1.00 0.00 C ATOM 441 CG HIS G 4 -5.506 -2.240 -6.305 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.674 -2.955 -6.018 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.855 -2.983 -7.273 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.682 -4.056 -6.789 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.600 -4.126 -7.570 1.00 0.00 N ATOM 0 H HIS G 4 -3.795 -2.082 -3.548 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.070 -0.784 -6.123 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.797 -0.808 -4.726 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.437 -0.090 -6.284 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.913 -2.719 -7.730 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.469 -4.796 -6.779 1.00 0.00 H new ATOM 452 N LEU G 5 -2.807 1.475 -5.037 1.00 0.00 N ATOM 453 CA LEU G 5 -2.601 2.751 -4.344 1.00 0.00 C ATOM 454 C LEU G 5 -2.657 3.917 -5.323 1.00 0.00 C ATOM 455 O LEU G 5 -1.946 3.946 -6.339 1.00 0.00 O ATOM 456 CB LEU G 5 -1.259 2.752 -3.590 1.00 0.00 C ATOM 457 CG LEU G 5 -0.129 2.218 -4.495 1.00 0.00 C ATOM 458 CD1 LEU G 5 1.189 2.963 -4.212 1.00 0.00 C ATOM 459 CD2 LEU G 5 0.059 0.713 -4.264 1.00 0.00 C ATOM 0 H LEU G 5 -2.416 1.425 -5.978 1.00 0.00 H new ATOM 0 HA LEU G 5 -3.406 2.872 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -1.021 3.763 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -1.338 2.135 -2.695 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.407 2.389 -5.535 1.00 0.00 H new ATOM 0 HD11 LEU G 5 1.974 2.573 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU G 5 1.054 4.027 -4.406 1.00 0.00 H new ATOM 0 HD13 LEU G 5 1.473 2.817 -3.170 1.00 0.00 H new ATOM 0 HD21 LEU G 5 0.858 0.343 -4.906 1.00 0.00 H new ATOM 0 HD22 LEU G 5 0.320 0.535 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -0.868 0.190 -4.500 1.00 0.00 H new ATOM 471 N GLN G 6 -3.514 4.893 -5.006 1.00 0.00 N ATOM 472 CA GLN G 6 -3.666 6.078 -5.856 1.00 0.00 C ATOM 473 C GLN G 6 -3.259 7.323 -5.085 1.00 0.00 C ATOM 474 O GLN G 6 -3.916 7.707 -4.117 1.00 0.00 O ATOM 475 CB GLN G 6 -5.119 6.205 -6.314 1.00 0.00 C ATOM 476 CG GLN G 6 -5.255 7.395 -7.270 1.00 0.00 C ATOM 477 CD GLN G 6 -6.712 7.589 -7.658 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.565 7.812 -6.796 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.052 7.520 -8.915 1.00 0.00 N ATOM 0 H GLN G 6 -4.107 4.887 -4.176 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.023 5.974 -6.730 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.435 5.288 -6.811 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.772 6.342 -5.452 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -4.874 8.299 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -4.652 7.225 -8.162 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.344 7.335 -9.625 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.026 7.651 -9.188 1.00 0.00 H new ATOM 488 N ILE G 7 -2.175 7.957 -5.536 1.00 0.00 N ATOM 489 CA ILE G 7 -1.672 9.167 -4.890 1.00 0.00 C ATOM 490 C ILE G 7 -1.204 10.181 -5.936 1.00 0.00 C ATOM 491 O ILE G 7 -0.660 11.201 -5.543 1.00 0.00 O ATOM 492 CB ILE G 7 -0.517 8.789 -3.937 1.00 0.00 C ATOM 493 CG1 ILE G 7 0.708 8.316 -4.740 1.00 0.00 C ATOM 494 CG2 ILE G 7 -0.970 7.654 -2.997 1.00 0.00 C ATOM 495 CD1 ILE G 7 1.870 8.024 -3.779 1.00 0.00 C ATOM 496 OXT ILE G 7 -1.394 9.920 -7.113 1.00 0.00 O ATOM 0 H ILE G 7 -1.631 7.653 -6.344 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.474 9.631 -4.315 1.00 0.00 H new ATOM 0 HB ILE G 7 -0.246 9.669 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE G 7 0.459 7.420 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE G 7 1.001 9.080 -5.460 1.00 0.00 H new ATOM 0 HG21 ILE G 7 -0.153 7.390 -2.326 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -1.827 7.987 -2.412 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.251 6.782 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE G 7 2.737 7.689 -4.348 1.00 0.00 H new ATOM 0 HD12 ILE G 7 2.124 8.930 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE G 7 1.574 7.245 -3.076 1.00 0.00 H new TER 508 ILE G 7 ATOM 509 N ILE I 1 0.915 -11.745 -8.311 1.00 0.00 N ATOM 510 CA ILE I 1 1.005 -10.502 -7.490 1.00 0.00 C ATOM 511 C ILE I 1 0.899 -9.288 -8.402 1.00 0.00 C ATOM 512 O ILE I 1 1.702 -9.121 -9.318 1.00 0.00 O ATOM 513 CB ILE I 1 2.342 -10.478 -6.748 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.382 -11.644 -5.759 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.496 -9.161 -5.991 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.781 -11.764 -5.156 1.00 0.00 C ATOM 0 H1 ILE I 1 0.519 -12.514 -7.734 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.299 -11.575 -9.132 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.864 -12.013 -8.640 1.00 0.00 H new ATOM 0 HA ILE I 1 0.192 -10.481 -6.764 1.00 0.00 H new ATOM 0 HB ILE I 1 3.158 -10.570 -7.465 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.648 -11.488 -4.969 1.00 0.00 H new ATOM 0 HG13 ILE I 1 2.113 -12.571 -6.265 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.451 -9.153 -5.466 1.00 0.00 H new ATOM 0 HG22 ILE I 1 2.462 -8.330 -6.696 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.685 -9.058 -5.270 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.804 -12.596 -4.452 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.506 -11.941 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE I 1 4.033 -10.841 -4.634 1.00 0.00 H new ATOM 530 N HIS I 2 -0.096 -8.437 -8.142 1.00 0.00 N ATOM 531 CA HIS I 2 -0.284 -7.246 -8.939 1.00 0.00 C ATOM 532 C HIS I 2 -0.036 -6.005 -8.088 1.00 0.00 C ATOM 533 O HIS I 2 -0.718 -5.804 -7.083 1.00 0.00 O ATOM 534 CB HIS I 2 -1.758 -7.277 -9.393 1.00 0.00 C ATOM 535 CG HIS I 2 -2.175 -5.968 -9.991 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.475 -5.450 -9.865 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.498 -5.083 -10.769 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.522 -4.311 -10.560 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.357 -4.033 -11.131 1.00 0.00 N ATOM 0 H HIS I 2 -0.774 -8.558 -7.389 1.00 0.00 H new ATOM 0 HA HIS I 2 0.403 -7.214 -9.784 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -1.898 -8.073 -10.124 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.397 -7.510 -8.541 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.463 -5.173 -11.063 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.402 -3.691 -10.647 1.00 0.00 H new ATOM 546 N VAL I 3 0.898 -5.140 -8.514 1.00 0.00 N ATOM 547 CA VAL I 3 1.145 -3.892 -7.780 1.00 0.00 C ATOM 548 C VAL I 3 0.836 -2.704 -8.690 1.00 0.00 C ATOM 549 O VAL I 3 1.465 -2.550 -9.739 1.00 0.00 O ATOM 550 CB VAL I 3 2.609 -3.843 -7.336 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.856 -2.561 -6.539 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.927 -5.065 -6.466 1.00 0.00 C ATOM 0 H VAL I 3 1.480 -5.277 -9.341 1.00 0.00 H new ATOM 0 HA VAL I 3 0.504 -3.848 -6.899 1.00 0.00 H new ATOM 0 HB VAL I 3 3.255 -3.853 -8.214 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.898 -2.525 -6.222 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.637 -1.696 -7.165 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.209 -2.548 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.970 -5.027 -6.152 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.283 -5.063 -5.587 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.754 -5.975 -7.040 1.00 0.00 H new ATOM 562 N HIS I 4 -0.111 -1.852 -8.284 1.00 0.00 N ATOM 563 CA HIS I 4 -0.462 -0.679 -9.059 1.00 0.00 C ATOM 564 C HIS I 4 -0.262 0.620 -8.286 1.00 0.00 C ATOM 565 O HIS I 4 -0.745 0.752 -7.154 1.00 0.00 O ATOM 566 CB HIS I 4 -1.912 -0.828 -9.533 1.00 0.00 C ATOM 567 CG HIS I 4 -2.147 0.035 -10.740 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.538 -0.468 -11.990 1.00 0.00 N ATOM 569 CD2 HIS I 4 -2.072 1.381 -10.884 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.686 0.583 -12.813 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.418 1.736 -12.190 1.00 0.00 N ATOM 0 H HIS I 4 -0.643 -1.961 -7.421 1.00 0.00 H new ATOM 0 HA HIS I 4 0.208 -0.615 -9.916 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.119 -1.870 -9.775 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.596 -0.544 -8.733 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.788 2.074 -10.106 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.984 0.507 -13.848 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.458 2.676 -12.585 1.00 0.00 H new ATOM 579 N LEU I 5 0.403 1.600 -8.910 1.00 0.00 N ATOM 580 CA LEU I 5 0.608 2.899 -8.264 1.00 0.00 C ATOM 581 C LEU I 5 0.470 4.033 -9.263 1.00 0.00 C ATOM 582 O LEU I 5 1.196 4.102 -10.263 1.00 0.00 O ATOM 583 CB LEU I 5 1.992 2.954 -7.595 1.00 0.00 C ATOM 584 CG LEU I 5 3.081 2.429 -8.567 1.00 0.00 C ATOM 585 CD1 LEU I 5 4.309 3.356 -8.565 1.00 0.00 C ATOM 586 CD2 LEU I 5 3.504 1.006 -8.170 1.00 0.00 C ATOM 0 H LEU I 5 0.802 1.520 -9.845 1.00 0.00 H new ATOM 0 HA LEU I 5 -0.161 3.018 -7.501 1.00 0.00 H new ATOM 0 HB2 LEU I 5 2.221 3.978 -7.301 1.00 0.00 H new ATOM 0 HB3 LEU I 5 1.988 2.354 -6.685 1.00 0.00 H new ATOM 0 HG LEU I 5 2.660 2.412 -9.572 1.00 0.00 H new ATOM 0 HD11 LEU I 5 5.059 2.968 -9.254 1.00 0.00 H new ATOM 0 HD12 LEU I 5 4.011 4.356 -8.880 1.00 0.00 H new ATOM 0 HD13 LEU I 5 4.729 3.402 -7.560 1.00 0.00 H new ATOM 0 HD21 LEU I 5 4.269 0.648 -8.859 1.00 0.00 H new ATOM 0 HD22 LEU I 5 3.905 1.015 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU I 5 2.639 0.344 -8.212 1.00 0.00 H new ATOM 598 N GLN I 6 -0.465 4.937 -8.967 1.00 0.00 N ATOM 599 CA GLN I 6 -0.698 6.096 -9.826 1.00 0.00 C ATOM 600 C GLN I 6 -0.239 7.359 -9.109 1.00 0.00 C ATOM 601 O GLN I 6 -0.802 7.741 -8.081 1.00 0.00 O ATOM 602 CB GLN I 6 -2.186 6.204 -10.168 1.00 0.00 C ATOM 603 CG GLN I 6 -2.395 7.335 -11.177 1.00 0.00 C ATOM 604 CD GLN I 6 -3.880 7.521 -11.455 1.00 0.00 C ATOM 605 OE1 GLN I 6 -4.684 7.597 -10.527 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.292 7.590 -12.691 1.00 0.00 N ATOM 0 H GLN I 6 -1.068 4.889 -8.146 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.132 5.978 -10.750 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.545 5.262 -10.582 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.765 6.396 -9.265 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -1.971 8.261 -10.789 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -1.869 7.107 -12.104 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.621 7.526 -13.457 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.285 7.708 -12.892 1.00 0.00 H new ATOM 615 N ILE I 7 0.789 8.003 -9.655 1.00 0.00 N ATOM 616 CA ILE I 7 1.325 9.227 -9.061 1.00 0.00 C ATOM 617 C ILE I 7 0.914 10.440 -9.896 1.00 0.00 C ATOM 618 O ILE I 7 0.040 11.168 -9.458 1.00 0.00 O ATOM 619 CB ILE I 7 2.860 9.145 -8.991 1.00 0.00 C ATOM 620 CG1 ILE I 7 3.290 7.737 -8.556 1.00 0.00 C ATOM 621 CG2 ILE I 7 3.390 10.178 -7.994 1.00 0.00 C ATOM 622 CD1 ILE I 7 2.678 7.388 -7.198 1.00 0.00 C ATOM 623 OXT ILE I 7 1.480 10.618 -10.963 1.00 0.00 O ATOM 0 H ILE I 7 1.267 7.700 -10.504 1.00 0.00 H new ATOM 0 HA ILE I 7 0.923 9.335 -8.054 1.00 0.00 H new ATOM 0 HB ILE I 7 3.272 9.355 -9.978 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.976 7.007 -9.302 1.00 0.00 H new ATOM 0 HG13 ILE I 7 4.377 7.684 -8.497 1.00 0.00 H new ATOM 0 HG21 ILE I 7 4.477 10.115 -7.949 1.00 0.00 H new ATOM 0 HG22 ILE I 7 3.097 11.178 -8.315 1.00 0.00 H new ATOM 0 HG23 ILE I 7 2.974 9.978 -7.007 1.00 0.00 H new ATOM 0 HD11 ILE I 7 2.992 6.387 -6.904 1.00 0.00 H new ATOM 0 HD12 ILE I 7 3.014 8.108 -6.452 1.00 0.00 H new ATOM 0 HD13 ILE I 7 1.591 7.420 -7.270 1.00 0.00 H new TER 635 ILE I 7 ATOM 636 N ILE K 1 4.317 -11.840 -11.706 1.00 0.00 N ATOM 637 CA ILE K 1 4.355 -10.540 -10.977 1.00 0.00 C ATOM 638 C ILE K 1 4.137 -9.405 -11.969 1.00 0.00 C ATOM 639 O ILE K 1 4.982 -9.160 -12.829 1.00 0.00 O ATOM 640 CB ILE K 1 5.725 -10.370 -10.306 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.934 -11.507 -9.303 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.772 -9.030 -9.574 1.00 0.00 C ATOM 643 CD1 ILE K 1 7.392 -11.522 -8.840 1.00 0.00 C ATOM 0 H1 ILE K 1 3.749 -12.524 -11.166 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.891 -11.700 -12.644 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.285 -12.204 -11.817 1.00 0.00 H new ATOM 0 HA ILE K 1 3.573 -10.523 -10.218 1.00 0.00 H new ATOM 0 HB ILE K 1 6.510 -10.395 -11.061 1.00 0.00 H new ATOM 0 HG12 ILE K 1 5.272 -11.377 -8.447 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.678 -12.462 -9.762 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.745 -8.910 -9.098 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.614 -8.220 -10.287 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.990 -9.003 -8.815 1.00 0.00 H new ATOM 0 HD11 ILE K 1 7.539 -12.332 -8.126 1.00 0.00 H new ATOM 0 HD12 ILE K 1 8.045 -11.673 -9.699 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.632 -10.571 -8.364 1.00 0.00 H new ATOM 657 N HIS K 2 3.012 -8.696 -11.843 1.00 0.00 N ATOM 658 CA HIS K 2 2.735 -7.572 -12.740 1.00 0.00 C ATOM 659 C HIS K 2 2.896 -6.276 -11.956 1.00 0.00 C ATOM 660 O HIS K 2 2.226 -6.075 -10.942 1.00 0.00 O ATOM 661 CB HIS K 2 1.276 -7.659 -13.248 1.00 0.00 C ATOM 662 CG HIS K 2 1.169 -8.542 -14.466 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.730 -8.053 -15.688 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.396 -9.883 -14.660 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.705 -9.085 -16.552 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.101 -10.224 -15.975 1.00 0.00 N ATOM 0 H HIS K 2 2.292 -8.875 -11.143 1.00 0.00 H new ATOM 0 HA HIS K 2 3.421 -7.601 -13.586 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.636 -8.049 -12.456 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.913 -6.660 -13.488 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.750 -10.569 -13.905 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.402 -9.003 -17.585 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.172 -11.145 -16.407 1.00 0.00 H new ATOM 674 N VAL K 3 3.754 -5.378 -12.445 1.00 0.00 N ATOM 675 CA VAL K 3 3.944 -4.086 -11.787 1.00 0.00 C ATOM 676 C VAL K 3 3.478 -2.969 -12.720 1.00 0.00 C ATOM 677 O VAL K 3 3.953 -2.863 -13.851 1.00 0.00 O ATOM 678 CB VAL K 3 5.419 -3.910 -11.430 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.618 -2.555 -10.755 1.00 0.00 C ATOM 680 CG2 VAL K 3 5.853 -5.024 -10.477 1.00 0.00 C ATOM 0 H VAL K 3 4.320 -5.519 -13.282 1.00 0.00 H new ATOM 0 HA VAL K 3 3.356 -4.045 -10.870 1.00 0.00 H new ATOM 0 HB VAL K 3 6.021 -3.958 -12.338 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.670 -2.427 -10.499 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.311 -1.761 -11.436 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.016 -2.509 -9.848 1.00 0.00 H new ATOM 0 HG21 VAL K 3 6.905 -4.897 -10.224 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.253 -4.980 -9.568 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.710 -5.991 -10.959 1.00 0.00 H new ATOM 690 N HIS K 4 2.562 -2.129 -12.241 1.00 0.00 N ATOM 691 CA HIS K 4 2.050 -1.005 -13.045 1.00 0.00 C ATOM 692 C HIS K 4 2.352 0.325 -12.354 1.00 0.00 C ATOM 693 O HIS K 4 2.056 0.488 -11.165 1.00 0.00 O ATOM 694 CB HIS K 4 0.521 -1.148 -13.261 1.00 0.00 C ATOM 695 CG HIS K 4 0.144 -2.495 -13.886 1.00 0.00 C ATOM 696 ND1 HIS K 4 -1.003 -3.196 -13.500 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.727 -3.274 -14.869 1.00 0.00 C ATOM 698 CE1 HIS K 4 -1.063 -4.324 -14.226 1.00 0.00 C ATOM 699 NE2 HIS K 4 -0.036 -4.424 -15.076 1.00 0.00 N ATOM 0 H HIS K 4 2.157 -2.199 -11.307 1.00 0.00 H new ATOM 0 HA HIS K 4 2.548 -1.022 -14.014 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.010 -1.038 -12.305 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.170 -0.341 -13.904 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.637 -3.029 -15.397 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.847 -5.062 -14.134 1.00 0.00 H new ATOM 706 N LEU K 5 2.914 1.289 -13.089 1.00 0.00 N ATOM 707 CA LEU K 5 3.218 2.600 -12.504 1.00 0.00 C ATOM 708 C LEU K 5 3.018 3.704 -13.521 1.00 0.00 C ATOM 709 O LEU K 5 3.542 3.645 -14.633 1.00 0.00 O ATOM 710 CB LEU K 5 4.661 2.622 -11.981 1.00 0.00 C ATOM 711 CG LEU K 5 5.628 2.030 -13.041 1.00 0.00 C ATOM 712 CD1 LEU K 5 6.972 2.770 -13.005 1.00 0.00 C ATOM 713 CD2 LEU K 5 5.866 0.541 -12.757 1.00 0.00 C ATOM 0 H LEU K 5 3.164 1.191 -14.073 1.00 0.00 H new ATOM 0 HA LEU K 5 2.534 2.771 -11.673 1.00 0.00 H new ATOM 0 HB2 LEU K 5 4.953 3.645 -11.743 1.00 0.00 H new ATOM 0 HB3 LEU K 5 4.729 2.048 -11.057 1.00 0.00 H new ATOM 0 HG LEU K 5 5.177 2.148 -14.026 1.00 0.00 H new ATOM 0 HD11 LEU K 5 7.641 2.345 -13.753 1.00 0.00 H new ATOM 0 HD12 LEU K 5 6.811 3.827 -13.220 1.00 0.00 H new ATOM 0 HD13 LEU K 5 7.419 2.665 -12.017 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.546 0.132 -13.505 1.00 0.00 H new ATOM 0 HD22 LEU K 5 6.305 0.425 -11.766 1.00 0.00 H new ATOM 0 HD23 LEU K 5 4.917 0.006 -12.798 1.00 0.00 H new ATOM 725 N GLN K 6 2.264 4.728 -13.124 1.00 0.00 N ATOM 726 CA GLN K 6 2.009 5.866 -14.007 1.00 0.00 C ATOM 727 C GLN K 6 2.504 7.146 -13.350 1.00 0.00 C ATOM 728 O GLN K 6 1.993 7.561 -12.309 1.00 0.00 O ATOM 729 CB GLN K 6 0.509 5.969 -14.296 1.00 0.00 C ATOM 730 CG GLN K 6 0.256 7.093 -15.306 1.00 0.00 C ATOM 731 CD GLN K 6 -1.241 7.270 -15.526 1.00 0.00 C ATOM 732 OE1 GLN K 6 -1.983 7.545 -14.582 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.730 7.136 -16.728 1.00 0.00 N ATOM 0 H GLN K 6 1.823 4.794 -12.207 1.00 0.00 H new ATOM 0 HA GLN K 6 2.542 5.721 -14.947 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.138 5.023 -14.690 1.00 0.00 H new ATOM 0 HB3 GLN K 6 -0.037 6.166 -13.373 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.691 8.024 -14.943 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.746 6.860 -16.252 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.113 6.908 -17.507 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.730 7.259 -16.888 1.00 0.00 H new ATOM 742 N ILE K 7 3.501 7.770 -13.973 1.00 0.00 N ATOM 743 CA ILE K 7 4.073 9.007 -13.448 1.00 0.00 C ATOM 744 C ILE K 7 4.362 9.983 -14.590 1.00 0.00 C ATOM 745 O ILE K 7 4.903 11.041 -14.317 1.00 0.00 O ATOM 746 CB ILE K 7 5.368 8.680 -12.677 1.00 0.00 C ATOM 747 CG1 ILE K 7 6.456 8.163 -13.642 1.00 0.00 C ATOM 748 CG2 ILE K 7 5.082 7.598 -11.615 1.00 0.00 C ATOM 749 CD1 ILE K 7 7.764 7.951 -12.872 1.00 0.00 C ATOM 750 OXT ILE K 7 4.043 9.653 -15.722 1.00 0.00 O ATOM 0 H ILE K 7 3.928 7.441 -14.839 1.00 0.00 H new ATOM 0 HA ILE K 7 3.361 9.478 -12.770 1.00 0.00 H new ATOM 0 HB ILE K 7 5.722 9.591 -12.194 1.00 0.00 H new ATOM 0 HG12 ILE K 7 6.136 7.227 -14.100 1.00 0.00 H new ATOM 0 HG13 ILE K 7 6.609 8.878 -14.450 1.00 0.00 H new ATOM 0 HG21 ILE K 7 5.999 7.369 -11.072 1.00 0.00 H new ATOM 0 HG22 ILE K 7 4.329 7.963 -10.917 1.00 0.00 H new ATOM 0 HG23 ILE K 7 4.716 6.696 -12.104 1.00 0.00 H new ATOM 0 HD11 ILE K 7 8.532 7.586 -13.554 1.00 0.00 H new ATOM 0 HD12 ILE K 7 8.086 8.896 -12.435 1.00 0.00 H new ATOM 0 HD13 ILE K 7 7.605 7.220 -12.079 1.00 0.00 H new TER 762 ILE K 7 ATOM 763 N ILE O 1 -3.753 11.361 12.632 1.00 0.00 N ATOM 764 CA ILE O 1 -4.573 10.142 12.889 1.00 0.00 C ATOM 765 C ILE O 1 -3.742 8.901 12.579 1.00 0.00 C ATOM 766 O ILE O 1 -3.230 8.738 11.467 1.00 0.00 O ATOM 767 CB ILE O 1 -5.833 10.172 12.015 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.683 11.378 12.428 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.637 8.886 12.218 1.00 0.00 C ATOM 770 CD1 ILE O 1 -7.817 11.568 11.428 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.068 12.129 13.258 1.00 0.00 H new ATOM 0 H2 ILE O 1 -2.751 11.151 12.818 1.00 0.00 H new ATOM 0 H3 ILE O 1 -3.867 11.654 11.641 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.875 10.116 13.936 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.553 10.251 10.964 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.088 11.225 13.428 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.065 12.275 12.468 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.531 8.913 11.595 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.026 8.027 11.939 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.928 8.800 13.265 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.422 12.426 11.722 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.402 11.740 10.435 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.440 10.674 11.411 1.00 0.00 H new ATOM 784 N HIS O 2 -3.606 8.028 13.577 1.00 0.00 N ATOM 785 CA HIS O 2 -2.850 6.818 13.417 1.00 0.00 C ATOM 786 C HIS O 2 -3.784 5.616 13.512 1.00 0.00 C ATOM 787 O HIS O 2 -4.454 5.438 14.532 1.00 0.00 O ATOM 788 CB HIS O 2 -1.843 6.810 14.585 1.00 0.00 C ATOM 789 CG HIS O 2 -1.212 5.466 14.768 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.881 4.957 16.032 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.787 4.542 13.868 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.279 3.777 15.844 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.190 3.469 14.551 1.00 0.00 N ATOM 0 H HIS O 2 -4.017 8.150 14.503 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.346 6.767 12.452 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.067 7.553 14.401 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.351 7.101 15.504 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.065 5.404 16.930 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.891 4.620 12.796 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.090 3.151 16.643 1.00 0.00 H new ATOM 800 N VAL O 3 -3.805 4.762 12.475 1.00 0.00 N ATOM 801 CA VAL O 3 -4.645 3.556 12.522 1.00 0.00 C ATOM 802 C VAL O 3 -3.763 2.310 12.443 1.00 0.00 C ATOM 803 O VAL O 3 -3.040 2.123 11.463 1.00 0.00 O ATOM 804 CB VAL O 3 -5.640 3.577 11.357 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.530 2.336 11.442 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.500 4.852 11.437 1.00 0.00 C ATOM 0 H VAL O 3 -3.266 4.879 11.617 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.200 3.535 13.460 1.00 0.00 H new ATOM 0 HB VAL O 3 -5.103 3.574 10.408 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -7.242 2.342 10.617 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.912 1.440 11.382 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -7.071 2.341 12.388 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -7.208 4.866 10.608 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -7.046 4.864 12.380 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.856 5.729 11.379 1.00 0.00 H new ATOM 816 N HIS O 4 -3.837 1.449 13.464 1.00 0.00 N ATOM 817 CA HIS O 4 -3.065 0.225 13.492 1.00 0.00 C ATOM 818 C HIS O 4 -3.946 -1.026 13.578 1.00 0.00 C ATOM 819 O HIS O 4 -4.865 -1.082 14.397 1.00 0.00 O ATOM 820 CB HIS O 4 -2.084 0.306 14.674 1.00 0.00 C ATOM 821 CG HIS O 4 -0.920 -0.616 14.441 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.413 -0.182 14.351 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.888 -1.963 14.296 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.172 -1.274 14.164 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.432 -2.388 14.125 1.00 0.00 N ATOM 0 H HIS O 4 -4.431 1.589 14.282 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.517 0.130 12.554 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.729 1.330 14.793 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.593 0.035 15.599 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.752 -2.610 14.310 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.247 -1.255 14.058 1.00 0.00 H new ATOM 0 HE2 HIS O 4 0.762 -3.345 13.997 1.00 0.00 H new ATOM 833 N LEU O 5 -3.646 -2.045 12.759 1.00 0.00 N ATOM 834 CA LEU O 5 -4.412 -3.304 12.800 1.00 0.00 C ATOM 835 C LEU O 5 -3.485 -4.490 12.536 1.00 0.00 C ATOM 836 O LEU O 5 -2.857 -4.594 11.470 1.00 0.00 O ATOM 837 CB LEU O 5 -5.544 -3.281 11.761 1.00 0.00 C ATOM 838 CG LEU O 5 -5.003 -2.742 10.414 1.00 0.00 C ATOM 839 CD1 LEU O 5 -5.518 -3.593 9.243 1.00 0.00 C ATOM 840 CD2 LEU O 5 -5.439 -1.282 10.216 1.00 0.00 C ATOM 0 H LEU O 5 -2.893 -2.026 12.071 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.853 -3.409 13.791 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -5.948 -4.284 11.627 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -6.362 -2.653 12.113 1.00 0.00 H new ATOM 0 HG LEU O 5 -3.915 -2.796 10.438 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -5.126 -3.197 8.306 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.186 -4.624 9.369 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -6.607 -3.562 9.223 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -5.053 -0.913 9.266 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -6.527 -1.225 10.213 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -5.046 -0.671 11.029 1.00 0.00 H new ATOM 852 N GLN O 6 -3.406 -5.391 13.515 1.00 0.00 N ATOM 853 CA GLN O 6 -2.571 -6.582 13.388 1.00 0.00 C ATOM 854 C GLN O 6 -3.471 -7.801 13.233 1.00 0.00 C ATOM 855 O GLN O 6 -4.184 -8.179 14.164 1.00 0.00 O ATOM 856 CB GLN O 6 -1.690 -6.740 14.630 1.00 0.00 C ATOM 857 CG GLN O 6 -0.728 -7.910 14.424 1.00 0.00 C ATOM 858 CD GLN O 6 0.092 -8.145 15.684 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.453 -8.184 16.786 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.383 -8.300 15.583 1.00 0.00 N ATOM 0 H GLN O 6 -3.908 -5.318 14.400 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.927 -6.486 12.514 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.131 -5.822 14.812 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.310 -6.915 15.509 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.288 -8.811 14.173 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.065 -7.702 13.584 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.831 -8.267 14.667 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.945 -8.454 16.420 1.00 0.00 H new ATOM 869 N ILE O 7 -3.440 -8.411 12.050 1.00 0.00 N ATOM 870 CA ILE O 7 -4.265 -9.585 11.776 1.00 0.00 C ATOM 871 C ILE O 7 -3.396 -10.840 11.751 1.00 0.00 C ATOM 872 O ILE O 7 -3.402 -11.562 12.734 1.00 0.00 O ATOM 873 CB ILE O 7 -4.974 -9.416 10.424 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.525 -7.990 10.297 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.114 -10.422 10.305 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.482 -7.674 11.451 1.00 0.00 C ATOM 877 OXT ILE O 7 -2.733 -11.058 10.750 1.00 0.00 O ATOM 0 H ILE O 7 -2.855 -8.113 11.269 1.00 0.00 H new ATOM 0 HA ILE O 7 -5.012 -9.687 12.563 1.00 0.00 H new ATOM 0 HB ILE O 7 -4.256 -9.594 9.623 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -4.702 -7.276 10.295 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -6.046 -7.879 9.346 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.612 -10.296 9.344 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -5.715 -11.434 10.377 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -6.831 -10.256 11.109 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -6.861 -6.658 11.341 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -7.316 -8.376 11.435 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -5.951 -7.763 12.399 1.00 0.00 H new TER 889 ILE O 7 ATOM 890 N ILE Q 1 -1.222 11.537 8.467 1.00 0.00 N ATOM 891 CA ILE Q 1 -1.977 10.288 8.768 1.00 0.00 C ATOM 892 C ILE Q 1 -1.066 9.083 8.550 1.00 0.00 C ATOM 893 O ILE Q 1 -0.557 8.866 7.442 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.191 10.193 7.836 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.122 11.383 8.087 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -3.947 8.891 8.108 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.191 11.436 6.995 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.429 12.251 9.194 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.202 11.333 8.462 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.507 11.899 7.535 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.316 10.302 9.804 1.00 0.00 H new ATOM 0 HB ILE Q 1 -2.852 10.206 6.800 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.592 11.290 9.066 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.549 12.310 8.095 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.809 8.826 7.445 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.286 8.043 7.929 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.285 8.876 9.144 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -5.853 12.283 7.175 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.712 11.549 6.022 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.771 10.513 7.008 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.858 8.289 9.603 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.015 7.093 9.473 1.00 0.00 C ATOM 913 C HIS Q 2 -0.891 5.847 9.618 1.00 0.00 C ATOM 914 O HIS Q 2 -1.540 5.665 10.650 1.00 0.00 O ATOM 915 CB HIS Q 2 1.059 7.091 10.584 1.00 0.00 C ATOM 916 CG HIS Q 2 2.271 7.904 10.179 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.537 7.345 10.105 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.436 9.234 9.859 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.397 8.323 9.760 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.777 9.493 9.597 1.00 0.00 N ATOM 0 H HIS Q 2 -1.249 8.444 10.532 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.473 7.095 8.498 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.636 7.498 11.503 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.361 6.066 10.799 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.643 9.966 9.818 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.459 8.178 9.631 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.196 10.386 9.336 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.874 4.961 8.618 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.641 3.715 8.714 1.00 0.00 C ATOM 930 C VAL Q 3 -0.689 2.525 8.709 1.00 0.00 C ATOM 931 O VAL Q 3 0.101 2.364 7.774 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.625 3.616 7.548 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.424 2.318 7.666 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.575 4.817 7.584 1.00 0.00 C ATOM 0 H VAL Q 3 -0.350 5.078 7.751 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.206 3.710 9.646 1.00 0.00 H new ATOM 0 HB VAL Q 3 -2.079 3.616 6.604 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -4.126 2.246 6.835 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.743 1.468 7.640 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.974 2.314 8.607 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.278 4.750 6.754 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -4.124 4.818 8.526 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -3.000 5.739 7.498 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.778 1.678 9.732 1.00 0.00 N ATOM 945 CA HIS Q 4 0.072 0.481 9.814 1.00 0.00 C ATOM 946 C HIS Q 4 -0.785 -0.784 9.847 1.00 0.00 C ATOM 947 O HIS Q 4 -1.713 -0.888 10.658 1.00 0.00 O ATOM 948 CB HIS Q 4 0.960 0.530 11.083 1.00 0.00 C ATOM 949 CG HIS Q 4 1.736 1.845 11.210 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.846 2.521 12.431 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.470 2.599 10.311 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.607 3.612 12.231 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.014 3.713 10.962 1.00 0.00 N ATOM 0 H HIS Q 4 -1.424 1.792 10.513 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.709 0.461 8.930 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.334 0.395 11.965 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.664 -0.302 11.062 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.603 2.364 9.265 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.859 4.322 13.004 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.470 -1.768 9.006 1.00 0.00 N ATOM 961 CA LEU Q 5 -1.233 -3.019 9.019 1.00 0.00 C ATOM 962 C LEU Q 5 -0.319 -4.207 8.739 1.00 0.00 C ATOM 963 O LEU Q 5 0.401 -4.245 7.730 1.00 0.00 O ATOM 964 CB LEU Q 5 -2.374 -2.973 7.987 1.00 0.00 C ATOM 965 CG LEU Q 5 -1.862 -2.415 6.641 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.561 -3.121 5.467 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -2.123 -0.902 6.574 1.00 0.00 C ATOM 0 H LEU Q 5 0.287 -1.729 8.323 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.668 -3.139 10.011 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -2.782 -3.973 7.842 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -3.186 -2.349 8.361 1.00 0.00 H new ATOM 0 HG LEU Q 5 -0.790 -2.599 6.569 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -2.189 -2.716 4.526 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -2.353 -4.190 5.510 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -3.637 -2.957 5.532 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -1.760 -0.512 5.623 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -3.193 -0.713 6.659 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -1.601 -0.406 7.392 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.358 -5.192 9.641 1.00 0.00 N ATOM 980 CA GLN Q 6 0.465 -6.395 9.488 1.00 0.00 C ATOM 981 C GLN Q 6 -0.432 -7.610 9.333 1.00 0.00 C ATOM 982 O GLN Q 6 -1.143 -7.992 10.264 1.00 0.00 O ATOM 983 CB GLN Q 6 1.368 -6.570 10.711 1.00 0.00 C ATOM 984 CG GLN Q 6 2.281 -7.783 10.507 1.00 0.00 C ATOM 985 CD GLN Q 6 3.117 -8.024 11.756 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.573 -8.258 12.837 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.417 -7.978 11.671 1.00 0.00 N ATOM 0 H GLN Q 6 -0.944 -5.181 10.476 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.088 -6.291 8.600 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.968 -5.673 10.864 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.762 -6.705 11.607 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.682 -8.666 10.285 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.933 -7.617 9.650 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.863 -7.784 10.774 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.988 -8.136 12.501 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.382 -8.226 8.152 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.197 -9.408 7.873 1.00 0.00 C ATOM 998 C ILE Q 7 -0.398 -10.427 7.059 1.00 0.00 C ATOM 999 O ILE Q 7 -0.967 -11.443 6.693 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.477 -8.977 7.118 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.114 -8.492 5.704 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.178 -7.832 7.880 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.385 -8.131 4.918 1.00 0.00 C ATOM 1004 OXT ILE Q 7 0.772 -10.177 6.811 1.00 0.00 O ATOM 0 H ILE Q 7 0.211 -7.928 7.377 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.483 -9.884 8.811 1.00 0.00 H new ATOM 0 HB ILE Q 7 -3.147 -9.834 7.049 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.459 -7.623 5.768 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -1.561 -9.270 5.177 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -4.078 -7.534 7.342 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.449 -8.172 8.880 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -2.503 -6.980 7.957 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -3.111 -7.790 3.920 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -4.025 -9.010 4.838 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.921 -7.337 5.438 1.00 0.00 H new TER 1016 ILE Q 7 ATOM 1017 N ILE S 1 1.878 11.679 4.823 1.00 0.00 N ATOM 1018 CA ILE S 1 1.065 10.444 5.015 1.00 0.00 C ATOM 1019 C ILE S 1 1.934 9.221 4.746 1.00 0.00 C ATOM 1020 O ILE S 1 2.513 9.076 3.663 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.135 10.473 4.064 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.037 11.653 4.439 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.929 9.170 4.180 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.126 11.826 3.381 1.00 0.00 C ATOM 0 H1 ILE S 1 1.490 12.445 5.410 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.863 11.493 5.102 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.849 11.962 3.823 1.00 0.00 H new ATOM 0 HA ILE S 1 0.698 10.394 6.040 1.00 0.00 H new ATOM 0 HB ILE S 1 0.218 10.582 3.039 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.489 11.481 5.416 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.445 12.565 4.518 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.780 9.201 3.500 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.287 8.328 3.920 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.286 9.051 5.203 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -2.766 12.666 3.651 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -1.665 12.018 2.412 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.725 10.917 3.324 1.00 0.00 H new ATOM 1038 N HIS S 2 2.022 8.339 5.745 1.00 0.00 N ATOM 1039 CA HIS S 2 2.810 7.136 5.617 1.00 0.00 C ATOM 1040 C HIS S 2 1.906 5.911 5.658 1.00 0.00 C ATOM 1041 O HIS S 2 1.206 5.703 6.653 1.00 0.00 O ATOM 1042 CB HIS S 2 3.752 7.119 6.835 1.00 0.00 C ATOM 1043 CG HIS S 2 4.440 5.794 6.981 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.713 5.202 8.228 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.982 4.966 6.051 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.399 4.080 7.997 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.595 3.878 6.698 1.00 0.00 N ATOM 0 H HIS S 2 1.554 8.446 6.645 1.00 0.00 H new ATOM 0 HA HIS S 2 3.358 7.117 4.675 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.497 7.907 6.730 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.183 7.336 7.739 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.948 5.119 4.982 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.752 3.416 8.772 1.00 0.00 H new ATOM 1054 N VAL S 3 1.957 5.060 4.622 1.00 0.00 N ATOM 1055 CA VAL S 3 1.160 3.825 4.638 1.00 0.00 C ATOM 1056 C VAL S 3 2.091 2.616 4.586 1.00 0.00 C ATOM 1057 O VAL S 3 2.844 2.458 3.623 1.00 0.00 O ATOM 1058 CB VAL S 3 0.208 3.808 3.443 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.644 2.540 3.497 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.693 5.044 3.492 1.00 0.00 C ATOM 0 H VAL S 3 2.524 5.198 3.786 1.00 0.00 H new ATOM 0 HA VAL S 3 0.573 3.784 5.556 1.00 0.00 H new ATOM 0 HB VAL S 3 0.780 3.820 2.515 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -1.325 2.523 2.646 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.004 1.664 3.461 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -1.219 2.527 4.423 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.373 5.033 2.640 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.270 5.037 4.417 1.00 0.00 H new ATOM 0 HG23 VAL S 3 -0.079 5.944 3.454 1.00 0.00 H new ATOM 1070 N HIS S 4 2.025 1.754 5.604 1.00 0.00 N ATOM 1071 CA HIS S 4 2.843 0.559 5.646 1.00 0.00 C ATOM 1072 C HIS S 4 2.014 -0.727 5.718 1.00 0.00 C ATOM 1073 O HIS S 4 1.110 -0.842 6.556 1.00 0.00 O ATOM 1074 CB HIS S 4 3.809 0.675 6.835 1.00 0.00 C ATOM 1075 CG HIS S 4 4.995 -0.220 6.616 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.320 0.244 6.532 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.058 -1.566 6.478 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.104 -0.832 6.357 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.388 -1.963 6.319 1.00 0.00 N ATOM 0 H HIS S 4 1.409 1.870 6.408 1.00 0.00 H new ATOM 0 HA HIS S 4 3.404 0.487 4.714 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.138 1.708 6.949 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.299 0.399 7.758 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.208 -2.232 6.489 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.179 -0.790 6.259 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.739 -2.913 6.199 1.00 0.00 H new ATOM 1087 N LEU S 5 2.349 -1.710 4.871 1.00 0.00 N ATOM 1088 CA LEU S 5 1.638 -2.996 4.893 1.00 0.00 C ATOM 1089 C LEU S 5 2.599 -4.149 4.661 1.00 0.00 C ATOM 1090 O LEU S 5 3.288 -4.221 3.632 1.00 0.00 O ATOM 1091 CB LEU S 5 0.531 -3.013 3.826 1.00 0.00 C ATOM 1092 CG LEU S 5 1.088 -2.470 2.485 1.00 0.00 C ATOM 1093 CD1 LEU S 5 0.641 -3.358 1.309 1.00 0.00 C ATOM 1094 CD2 LEU S 5 0.600 -1.028 2.258 1.00 0.00 C ATOM 0 H LEU S 5 3.092 -1.643 4.175 1.00 0.00 H new ATOM 0 HA LEU S 5 1.185 -3.116 5.877 1.00 0.00 H new ATOM 0 HB2 LEU S 5 0.158 -4.028 3.691 1.00 0.00 H new ATOM 0 HB3 LEU S 5 -0.312 -2.405 4.153 1.00 0.00 H new ATOM 0 HG LEU S 5 2.177 -2.481 2.537 1.00 0.00 H new ATOM 0 HD11 LEU S 5 1.043 -2.958 0.378 1.00 0.00 H new ATOM 0 HD12 LEU S 5 1.011 -4.373 1.458 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.448 -3.372 1.257 1.00 0.00 H new ATOM 0 HD21 LEU S 5 0.996 -0.654 1.314 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -0.489 -1.013 2.226 1.00 0.00 H new ATOM 0 HD23 LEU S 5 0.947 -0.394 3.074 1.00 0.00 H new ATOM 1106 N GLN S 6 2.628 -5.069 5.626 1.00 0.00 N ATOM 1107 CA GLN S 6 3.491 -6.243 5.523 1.00 0.00 C ATOM 1108 C GLN S 6 2.628 -7.484 5.337 1.00 0.00 C ATOM 1109 O GLN S 6 1.864 -7.862 6.229 1.00 0.00 O ATOM 1110 CB GLN S 6 4.344 -6.381 6.785 1.00 0.00 C ATOM 1111 CG GLN S 6 5.344 -7.524 6.599 1.00 0.00 C ATOM 1112 CD GLN S 6 6.137 -7.741 7.879 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.562 -7.813 8.966 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.436 -7.846 7.816 1.00 0.00 N ATOM 0 H GLN S 6 2.070 -5.024 6.479 1.00 0.00 H new ATOM 0 HA GLN S 6 4.155 -6.131 4.666 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.873 -5.449 6.984 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.708 -6.577 7.648 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.816 -8.439 6.330 1.00 0.00 H new ATOM 0 HG3 GLN S 6 6.022 -7.294 5.777 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.909 -7.786 6.914 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.978 -7.988 8.668 1.00 0.00 H new ATOM 1123 N ILE S 7 2.748 -8.110 4.168 1.00 0.00 N ATOM 1124 CA ILE S 7 1.971 -9.307 3.861 1.00 0.00 C ATOM 1125 C ILE S 7 2.875 -10.540 3.901 1.00 0.00 C ATOM 1126 O ILE S 7 2.804 -11.272 4.875 1.00 0.00 O ATOM 1127 CB ILE S 7 1.345 -9.172 2.463 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.803 -7.743 2.257 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.209 -10.179 2.307 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.237 -7.399 3.318 1.00 0.00 C ATOM 1131 OXT ILE S 7 3.626 -10.731 2.957 1.00 0.00 O ATOM 0 H ILE S 7 3.374 -7.809 3.421 1.00 0.00 H new ATOM 0 HA ILE S 7 1.181 -9.419 4.603 1.00 0.00 H new ATOM 0 HB ILE S 7 2.111 -9.371 1.714 1.00 0.00 H new ATOM 0 HG12 ILE S 7 1.624 -7.028 2.302 1.00 0.00 H new ATOM 0 HG13 ILE S 7 0.359 -7.657 1.265 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.232 -10.080 1.315 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.599 -11.189 2.431 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.553 -9.988 3.063 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.605 -6.386 3.152 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -1.068 -8.102 3.254 1.00 0.00 H new ATOM 0 HD13 ILE S 7 0.217 -7.463 4.307 1.00 0.00 H new TER 1143 ILE S 7 ATOM 1144 N ILE U 1 4.303 11.806 0.421 1.00 0.00 N ATOM 1145 CA ILE U 1 3.581 10.540 0.727 1.00 0.00 C ATOM 1146 C ILE U 1 4.532 9.362 0.541 1.00 0.00 C ATOM 1147 O ILE U 1 5.055 9.136 -0.563 1.00 0.00 O ATOM 1148 CB ILE U 1 2.386 10.397 -0.224 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.420 11.563 -0.003 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.660 9.081 0.061 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.383 11.589 -1.130 1.00 0.00 C ATOM 0 H1 ILE U 1 3.892 12.583 0.977 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.309 11.700 0.664 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.213 12.021 -0.593 1.00 0.00 H new ATOM 0 HA ILE U 1 3.223 10.557 1.756 1.00 0.00 H new ATOM 0 HB ILE U 1 2.740 10.402 -1.255 1.00 0.00 H new ATOM 0 HG12 ILE U 1 0.922 11.459 0.961 1.00 0.00 H new ATOM 0 HG13 ILE U 1 1.969 12.504 0.022 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.811 8.980 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.345 8.247 -0.090 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.305 9.077 1.092 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.305 12.420 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.889 11.714 -2.087 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.174 10.652 -1.133 1.00 0.00 H new ATOM 1165 N HIS U 2 4.759 8.600 1.617 1.00 0.00 N ATOM 1166 CA HIS U 2 5.645 7.434 1.525 1.00 0.00 C ATOM 1167 C HIS U 2 4.814 6.163 1.675 1.00 0.00 C ATOM 1168 O HIS U 2 4.142 5.974 2.696 1.00 0.00 O ATOM 1169 CB HIS U 2 6.697 7.489 2.657 1.00 0.00 C ATOM 1170 CG HIS U 2 7.887 8.334 2.259 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.165 7.802 2.162 1.00 0.00 N ATOM 1172 CD2 HIS U 2 8.017 9.671 1.963 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.997 8.806 1.825 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.349 9.965 1.691 1.00 0.00 N ATOM 0 H HIS U 2 4.354 8.763 2.539 1.00 0.00 H new ATOM 0 HA HIS U 2 6.151 7.437 0.560 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.243 7.898 3.559 1.00 0.00 H new ATOM 0 HB3 HIS U 2 7.029 6.479 2.897 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.207 10.385 1.945 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.061 8.687 1.681 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.745 10.871 1.443 1.00 0.00 H new ATOM 1182 N VAL U 3 4.899 5.267 0.687 1.00 0.00 N ATOM 1183 CA VAL U 3 4.185 3.993 0.770 1.00 0.00 C ATOM 1184 C VAL U 3 5.189 2.847 0.810 1.00 0.00 C ATOM 1185 O VAL U 3 6.019 2.713 -0.097 1.00 0.00 O ATOM 1186 CB VAL U 3 3.251 3.848 -0.431 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.495 2.525 -0.330 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.253 5.009 -0.442 1.00 0.00 C ATOM 0 H VAL U 3 5.445 5.398 -0.164 1.00 0.00 H new ATOM 0 HA VAL U 3 3.587 3.966 1.681 1.00 0.00 H new ATOM 0 HB VAL U 3 3.835 3.862 -1.351 1.00 0.00 H new ATOM 0 HG11 VAL U 3 1.828 2.421 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.206 1.699 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL U 3 1.910 2.510 0.589 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.586 4.907 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.668 4.995 0.478 1.00 0.00 H new ATOM 0 HG23 VAL U 3 2.794 5.953 -0.513 1.00 0.00 H new ATOM 1198 N HIS U 4 5.100 2.008 1.839 1.00 0.00 N ATOM 1199 CA HIS U 4 5.999 0.852 1.969 1.00 0.00 C ATOM 1200 C HIS U 4 5.196 -0.446 1.982 1.00 0.00 C ATOM 1201 O HIS U 4 4.242 -0.578 2.761 1.00 0.00 O ATOM 1202 CB HIS U 4 6.821 0.957 3.280 1.00 0.00 C ATOM 1203 CG HIS U 4 7.557 2.292 3.405 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.611 3.001 4.611 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.286 3.049 2.507 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.339 4.113 4.403 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.774 4.194 3.141 1.00 0.00 N ATOM 0 H HIS U 4 4.420 2.101 2.594 1.00 0.00 H new ATOM 0 HA HIS U 4 6.677 0.848 1.115 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.155 0.832 4.134 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.544 0.142 3.318 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.453 2.794 1.471 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.547 4.851 5.163 1.00 0.00 H new ATOM 1214 N LEU U 5 5.583 -1.423 1.159 1.00 0.00 N ATOM 1215 CA LEU U 5 4.871 -2.705 1.154 1.00 0.00 C ATOM 1216 C LEU U 5 5.835 -3.858 0.904 1.00 0.00 C ATOM 1217 O LEU U 5 6.595 -3.866 -0.079 1.00 0.00 O ATOM 1218 CB LEU U 5 3.755 -2.707 0.097 1.00 0.00 C ATOM 1219 CG LEU U 5 4.281 -2.145 -1.240 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.640 -2.886 -2.429 1.00 0.00 C ATOM 1221 CD2 LEU U 5 3.975 -0.643 -1.330 1.00 0.00 C ATOM 0 H LEU U 5 6.363 -1.357 0.504 1.00 0.00 H new ATOM 0 HA LEU U 5 4.417 -2.839 2.136 1.00 0.00 H new ATOM 0 HB2 LEU U 5 3.384 -3.722 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU U 5 2.914 -2.107 0.445 1.00 0.00 H new ATOM 0 HG LEU U 5 5.360 -2.295 -1.281 1.00 0.00 H new ATOM 0 HD11 LEU U 5 4.023 -2.475 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU U 5 3.885 -3.947 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU U 5 2.558 -2.761 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU U 5 4.349 -0.252 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.898 -0.487 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU U 5 4.461 -0.123 -0.505 1.00 0.00 H new ATOM 1233 N GLN U 6 5.796 -4.846 1.805 1.00 0.00 N ATOM 1234 CA GLN U 6 6.666 -6.021 1.681 1.00 0.00 C ATOM 1235 C GLN U 6 5.823 -7.274 1.508 1.00 0.00 C ATOM 1236 O GLN U 6 5.099 -7.676 2.420 1.00 0.00 O ATOM 1237 CB GLN U 6 7.540 -6.154 2.930 1.00 0.00 C ATOM 1238 CG GLN U 6 8.509 -7.328 2.757 1.00 0.00 C ATOM 1239 CD GLN U 6 9.317 -7.530 4.031 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.752 -7.774 5.099 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.618 -7.446 3.978 1.00 0.00 N ATOM 0 H GLN U 6 5.180 -4.857 2.618 1.00 0.00 H new ATOM 0 HA GLN U 6 7.306 -5.898 0.807 1.00 0.00 H new ATOM 0 HB2 GLN U 6 8.096 -5.232 3.097 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.915 -6.312 3.809 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.954 -8.236 2.521 1.00 0.00 H new ATOM 0 HG3 GLN U 6 9.179 -7.137 1.919 1.00 0.00 H new ATOM 0 HE21 GLN U 6 11.080 -7.244 3.092 1.00 0.00 H new ATOM 0 HE22 GLN U 6 11.173 -7.583 4.823 1.00 0.00 H new ATOM 1250 N ILE U 7 5.934 -7.890 0.330 1.00 0.00 N ATOM 1251 CA ILE U 7 5.179 -9.104 0.025 1.00 0.00 C ATOM 1252 C ILE U 7 6.046 -10.096 -0.752 1.00 0.00 C ATOM 1253 O ILE U 7 5.530 -11.133 -1.135 1.00 0.00 O ATOM 1254 CB ILE U 7 3.919 -8.727 -0.784 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.306 -8.236 -2.191 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.155 -7.603 -0.057 1.00 0.00 C ATOM 1257 CD1 ILE U 7 3.035 -7.948 -3.005 1.00 0.00 C ATOM 1258 OXT ILE U 7 7.214 -9.803 -0.952 1.00 0.00 O ATOM 0 H ILE U 7 6.538 -7.568 -0.426 1.00 0.00 H new ATOM 0 HA ILE U 7 4.877 -9.585 0.955 1.00 0.00 H new ATOM 0 HB ILE U 7 3.290 -9.612 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE U 7 4.915 -7.335 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.911 -8.989 -2.696 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.266 -7.338 -0.629 1.00 0.00 H new ATOM 0 HG22 ILE U 7 2.859 -7.946 0.934 1.00 0.00 H new ATOM 0 HG23 ILE U 7 3.799 -6.729 0.039 1.00 0.00 H new ATOM 0 HD11 ILE U 7 3.311 -7.601 -4.000 1.00 0.00 H new ATOM 0 HD12 ILE U 7 2.443 -8.859 -3.090 1.00 0.00 H new ATOM 0 HD13 ILE U 7 2.448 -7.179 -2.503 1.00 0.00 H new TER 1270 ILE U 7 ATOM 1271 N ILE W 1 7.495 11.888 -3.299 1.00 0.00 N ATOM 1272 CA ILE W 1 6.700 10.635 -3.159 1.00 0.00 C ATOM 1273 C ILE W 1 7.610 9.432 -3.334 1.00 0.00 C ATOM 1274 O ILE W 1 8.260 9.282 -4.373 1.00 0.00 O ATOM 1275 CB ILE W 1 5.605 10.604 -4.222 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.632 11.757 -3.969 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.850 9.278 -4.154 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.651 11.867 -5.134 1.00 0.00 C ATOM 0 H1 ILE W 1 7.013 12.663 -2.800 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.440 11.747 -2.889 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.587 12.130 -4.306 1.00 0.00 H new ATOM 0 HA ILE W 1 6.246 10.604 -2.169 1.00 0.00 H new ATOM 0 HB ILE W 1 6.055 10.707 -5.209 1.00 0.00 H new ATOM 0 HG12 ILE W 1 4.089 11.590 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.182 12.691 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE W 1 4.070 9.264 -4.916 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.543 8.455 -4.329 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.397 9.167 -3.169 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.959 12.689 -4.951 1.00 0.00 H new ATOM 0 HD12 ILE W 1 4.201 12.054 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE W 1 3.092 10.936 -5.228 1.00 0.00 H new ATOM 1292 N HIS W 2 7.652 8.570 -2.318 1.00 0.00 N ATOM 1293 CA HIS W 2 8.476 7.382 -2.384 1.00 0.00 C ATOM 1294 C HIS W 2 7.600 6.134 -2.390 1.00 0.00 C ATOM 1295 O HIS W 2 6.844 5.915 -1.440 1.00 0.00 O ATOM 1296 CB HIS W 2 9.351 7.390 -1.115 1.00 0.00 C ATOM 1297 CG HIS W 2 10.082 6.090 -0.965 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.398 5.522 0.280 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.606 5.256 -1.900 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.086 4.398 0.042 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.244 4.186 -1.267 1.00 0.00 N ATOM 0 H HIS W 2 7.127 8.678 -1.450 1.00 0.00 H new ATOM 0 HA HIS W 2 9.080 7.374 -3.291 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.066 8.211 -1.166 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.727 7.565 -0.239 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.540 5.398 -2.969 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.466 3.744 0.813 1.00 0.00 H new ATOM 1308 N VAL W 3 7.737 5.279 -3.415 1.00 0.00 N ATOM 1309 CA VAL W 3 6.974 4.025 -3.440 1.00 0.00 C ATOM 1310 C VAL W 3 7.949 2.848 -3.425 1.00 0.00 C ATOM 1311 O VAL W 3 8.760 2.706 -4.344 1.00 0.00 O ATOM 1312 CB VAL W 3 6.111 3.973 -4.705 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.287 2.686 -4.702 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.177 5.190 -4.744 1.00 0.00 C ATOM 0 H VAL W 3 8.351 5.427 -4.216 1.00 0.00 H new ATOM 0 HA VAL W 3 6.324 3.970 -2.567 1.00 0.00 H new ATOM 0 HB VAL W 3 6.753 3.990 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL W 3 4.672 2.646 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL W 3 5.956 1.826 -4.681 1.00 0.00 H new ATOM 0 HG13 VAL W 3 4.645 2.667 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.565 5.150 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.531 5.182 -3.866 1.00 0.00 H new ATOM 0 HG23 VAL W 3 5.771 6.104 -4.749 1.00 0.00 H new ATOM 1324 N HIS W 4 7.859 1.991 -2.401 1.00 0.00 N ATOM 1325 CA HIS W 4 8.719 0.824 -2.308 1.00 0.00 C ATOM 1326 C HIS W 4 7.927 -0.486 -2.270 1.00 0.00 C ATOM 1327 O HIS W 4 6.997 -0.630 -1.463 1.00 0.00 O ATOM 1328 CB HIS W 4 9.616 0.982 -1.070 1.00 0.00 C ATOM 1329 CG HIS W 4 10.835 0.115 -1.207 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.150 0.603 -1.136 1.00 0.00 N ATOM 1331 CD2 HIS W 4 10.942 -1.224 -1.397 1.00 0.00 C ATOM 1332 CE1 HIS W 4 12.970 -0.451 -1.281 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.288 -1.589 -1.441 1.00 0.00 N ATOM 0 H HIS W 4 7.198 2.091 -1.631 1.00 0.00 H new ATOM 0 HA HIS W 4 9.335 0.765 -3.206 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.912 2.025 -0.955 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.063 0.707 -0.172 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.110 -1.905 -1.499 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.048 -0.387 -1.270 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.670 -2.526 -1.568 1.00 0.00 H new ATOM 1341 N LEU W 5 8.323 -1.458 -3.104 1.00 0.00 N ATOM 1342 CA LEU W 5 7.650 -2.764 -3.116 1.00 0.00 C ATOM 1343 C LEU W 5 8.650 -3.894 -3.291 1.00 0.00 C ATOM 1344 O LEU W 5 9.388 -3.954 -4.282 1.00 0.00 O ATOM 1345 CB LEU W 5 6.601 -2.816 -4.239 1.00 0.00 C ATOM 1346 CG LEU W 5 7.202 -2.280 -5.567 1.00 0.00 C ATOM 1347 CD1 LEU W 5 6.833 -3.200 -6.743 1.00 0.00 C ATOM 1348 CD2 LEU W 5 6.690 -0.857 -5.841 1.00 0.00 C ATOM 0 H LEU W 5 9.092 -1.368 -3.768 1.00 0.00 H new ATOM 0 HA LEU W 5 7.152 -2.892 -2.155 1.00 0.00 H new ATOM 0 HB2 LEU W 5 6.256 -3.841 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU W 5 5.731 -2.222 -3.960 1.00 0.00 H new ATOM 0 HG LEU W 5 8.287 -2.260 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU W 5 7.264 -2.805 -7.663 1.00 0.00 H new ATOM 0 HD12 LEU W 5 7.224 -4.201 -6.559 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.749 -3.247 -6.842 1.00 0.00 H new ATOM 0 HD21 LEU W 5 7.117 -0.490 -6.774 1.00 0.00 H new ATOM 0 HD22 LEU W 5 5.603 -0.870 -5.920 1.00 0.00 H new ATOM 0 HD23 LEU W 5 6.986 -0.200 -5.023 1.00 0.00 H new ATOM 1360 N GLN W 6 8.647 -4.806 -2.317 1.00 0.00 N ATOM 1361 CA GLN W 6 9.540 -5.962 -2.362 1.00 0.00 C ATOM 1362 C GLN W 6 8.721 -7.228 -2.589 1.00 0.00 C ATOM 1363 O GLN W 6 7.913 -7.615 -1.744 1.00 0.00 O ATOM 1364 CB GLN W 6 10.314 -6.076 -1.047 1.00 0.00 C ATOM 1365 CG GLN W 6 11.346 -7.200 -1.160 1.00 0.00 C ATOM 1366 CD GLN W 6 12.060 -7.391 0.170 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.418 -7.478 1.217 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.362 -7.454 0.192 1.00 0.00 N ATOM 0 H GLN W 6 8.043 -4.767 -1.496 1.00 0.00 H new ATOM 0 HA GLN W 6 10.249 -5.836 -3.180 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.811 -5.132 -0.822 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.628 -6.279 -0.225 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.854 -8.127 -1.454 1.00 0.00 H new ATOM 0 HG3 GLN W 6 12.070 -6.962 -1.939 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.891 -7.382 -0.677 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.852 -7.576 1.078 1.00 0.00 H new ATOM 1377 N ILE W 7 8.934 -7.865 -3.738 1.00 0.00 N ATOM 1378 CA ILE W 7 8.208 -9.090 -4.076 1.00 0.00 C ATOM 1379 C ILE W 7 9.131 -10.300 -3.940 1.00 0.00 C ATOM 1380 O ILE W 7 8.998 -11.016 -2.960 1.00 0.00 O ATOM 1381 CB ILE W 7 7.681 -9.004 -5.519 1.00 0.00 C ATOM 1382 CG1 ILE W 7 7.135 -7.593 -5.793 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.573 -10.037 -5.733 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.024 -7.253 -4.802 1.00 0.00 C ATOM 1385 OXT ILE W 7 9.959 -10.492 -4.817 1.00 0.00 O ATOM 0 H ILE W 7 9.599 -7.557 -4.448 1.00 0.00 H new ATOM 0 HA ILE W 7 7.368 -9.202 -3.391 1.00 0.00 H new ATOM 0 HB ILE W 7 8.500 -9.211 -6.208 1.00 0.00 H new ATOM 0 HG12 ILE W 7 7.940 -6.862 -5.712 1.00 0.00 H new ATOM 0 HG13 ILE W 7 6.753 -7.535 -6.812 1.00 0.00 H new ATOM 0 HG21 ILE W 7 6.205 -9.969 -6.757 1.00 0.00 H new ATOM 0 HG22 ILE W 7 6.968 -11.037 -5.555 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.755 -9.842 -5.040 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.647 -6.251 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.213 -7.974 -4.903 1.00 0.00 H new ATOM 0 HD13 ILE W 7 6.418 -7.291 -3.786 1.00 0.00 H new TER 1397 ILE W 7 ATOM 1398 N ILE Y 1 9.880 11.980 -7.723 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.168 10.688 -7.491 1.00 0.00 C ATOM 1400 C ILE Y 1 10.172 9.547 -7.576 1.00 0.00 C ATOM 1401 O ILE Y 1 10.734 9.293 -8.641 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.092 10.501 -8.570 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.081 11.644 -8.469 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.377 9.167 -8.350 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.184 11.648 -9.708 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.390 12.743 -7.214 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.858 11.905 -7.376 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.889 12.193 -8.741 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.699 10.695 -6.507 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.555 10.504 -9.557 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.476 11.529 -7.570 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.602 12.597 -8.382 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.613 9.033 -9.116 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.099 8.353 -8.412 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 6.909 9.163 -7.366 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.464 12.463 -9.634 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.796 11.784 -10.600 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.652 10.699 -9.775 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.387 8.842 -6.461 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.321 7.710 -6.468 1.00 0.00 C ATOM 1421 C HIS Y 2 10.523 6.416 -6.378 1.00 0.00 C ATOM 1422 O HIS Y 2 9.764 6.216 -5.426 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.255 7.802 -5.239 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.460 8.663 -5.529 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.752 8.153 -5.500 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.593 10.001 -5.817 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.594 9.172 -5.760 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 14.939 10.319 -5.961 1.00 0.00 N ATOM 0 H HIS Y 2 9.940 9.027 -5.563 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.914 7.730 -7.383 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.706 8.214 -4.392 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.580 6.802 -4.951 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.775 10.700 -5.916 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.669 9.074 -5.801 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.340 11.232 -6.174 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.724 5.517 -7.342 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.042 4.224 -7.321 1.00 0.00 C ATOM 1438 C VAL Y 3 11.073 3.108 -7.166 1.00 0.00 C ATOM 1439 O VAL Y 3 12.004 3.002 -7.969 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.244 4.050 -8.614 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.543 2.694 -8.596 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.203 5.163 -8.733 1.00 0.00 C ATOM 0 H VAL Y 3 11.346 5.658 -8.138 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.353 4.180 -6.478 1.00 0.00 H new ATOM 0 HB VAL Y 3 9.921 4.101 -9.467 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 7.973 2.567 -9.516 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.287 1.901 -8.517 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 7.868 2.645 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.637 5.035 -9.656 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.524 5.119 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.705 6.131 -8.747 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.901 2.266 -6.147 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.822 1.142 -5.909 1.00 0.00 C ATOM 1454 C HIS Y 4 11.070 -0.190 -5.986 1.00 0.00 C ATOM 1455 O HIS Y 4 10.030 -0.352 -5.339 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.494 1.280 -4.520 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.215 2.621 -4.350 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.203 3.320 -3.138 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 13.987 3.390 -5.203 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.932 4.438 -3.299 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.434 4.534 -4.535 1.00 0.00 N ATOM 0 H HIS Y 4 10.138 2.336 -5.473 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.591 1.161 -6.681 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.738 1.176 -3.742 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.207 0.467 -4.382 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.211 3.143 -6.230 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.093 5.171 -2.523 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.597 -1.155 -6.746 1.00 0.00 N ATOM 1469 CA LEU Y 5 10.943 -2.465 -6.853 1.00 0.00 C ATOM 1470 C LEU Y 5 11.969 -3.575 -6.980 1.00 0.00 C ATOM 1471 O LEU Y 5 12.859 -3.523 -7.829 1.00 0.00 O ATOM 1472 CB LEU Y 5 9.998 -2.486 -8.063 1.00 0.00 C ATOM 1473 CG LEU Y 5 10.706 -1.897 -9.313 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 10.252 -2.639 -10.579 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 10.367 -0.406 -9.450 1.00 0.00 C ATOM 0 H LEU Y 5 12.457 -1.059 -7.286 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.366 -2.632 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 9.679 -3.508 -8.266 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 9.100 -1.910 -7.841 1.00 0.00 H new ATOM 0 HG LEU Y 5 11.783 -2.017 -9.193 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 10.756 -2.217 -11.449 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 10.504 -3.696 -10.491 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 9.174 -2.532 -10.697 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 10.867 0.001 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 9.289 -0.286 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 10.704 0.127 -8.561 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.828 -4.595 -6.133 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.745 -5.736 -6.165 1.00 0.00 C ATOM 1489 C GLN Y 6 11.965 -7.013 -6.432 1.00 0.00 C ATOM 1490 O GLN Y 6 11.136 -7.428 -5.620 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.483 -5.841 -4.828 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.519 -6.968 -4.900 1.00 0.00 C ATOM 1493 CD GLN Y 6 15.190 -7.147 -3.545 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.522 -7.424 -2.548 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.483 -7.008 -3.450 1.00 0.00 N ATOM 0 H GLN Y 6 11.097 -4.656 -5.424 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.474 -5.593 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.974 -4.896 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.774 -6.036 -4.024 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 14.037 -7.898 -5.202 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 15.268 -6.737 -5.658 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 17.033 -6.779 -4.278 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.944 -7.129 -2.548 1.00 0.00 H new ATOM 1504 N ILE Y 7 12.242 -7.637 -7.576 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.562 -8.872 -7.958 1.00 0.00 C ATOM 1506 C ILE Y 7 12.555 -9.851 -8.587 1.00 0.00 C ATOM 1507 O ILE Y 7 12.130 -10.926 -8.978 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.427 -8.540 -8.949 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 11.007 -8.034 -10.287 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.519 -7.446 -8.349 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.868 -7.819 -11.291 1.00 0.00 C ATOM 1512 OXT ILE Y 7 13.723 -9.508 -8.673 1.00 0.00 O ATOM 0 H ILE Y 7 12.931 -7.308 -8.252 1.00 0.00 H new ATOM 0 HA ILE Y 7 11.138 -9.343 -7.071 1.00 0.00 H new ATOM 0 HB ILE Y 7 9.850 -9.447 -9.130 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 11.549 -7.101 -10.131 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 11.722 -8.756 -10.682 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.718 -7.213 -9.050 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 9.089 -7.803 -7.413 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 10.108 -6.548 -8.159 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 10.278 -7.462 -12.236 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 9.345 -8.761 -11.456 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.170 -7.081 -10.896 1.00 0.00 H new TER 1524 ILE Y 7 HETATM 1525 ZN ZN A 101 -14.053 -2.113 2.714 1.00 0.00 ZN HETATM 1526 ZN ZN C 101 -10.844 -5.668 -1.199 1.00 0.00 ZN HETATM 1527 ZN ZN E 101 -8.068 -2.300 -4.799 1.00 0.00 ZN HETATM 1528 ZN ZN G 101 -4.964 -5.882 -8.726 1.00 0.00 ZN HETATM 1529 ZN ZN I 101 -2.436 -2.499 -12.405 1.00 0.00 ZN HETATM 1530 ZN ZN K 101 0.391 -5.950 -16.214 1.00 0.00 ZN HETATM 1531 ZN ZN O 101 0.935 1.890 14.127 1.00 0.00 ZN HETATM 1532 ZN ZN Q 101 4.029 5.519 10.163 1.00 0.00 ZN HETATM 1533 ZN ZN S 101 6.848 2.368 6.280 1.00 0.00 ZN HETATM 1534 ZN ZN U 101 9.682 5.973 2.214 1.00 0.00 ZN HETATM 1535 ZN ZN W 101 12.402 2.615 -1.180 1.00 0.00 ZN HETATM 1536 ZN ZN Y 101 15.372 6.081 -5.241 1.00 0.00 ZN