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= 0.567 K(o=2.4,f=1.1) USER MOD Set 1.2: Q 6 GLN : amide:sc= 0.79 K(o=2.4,f=-2.2!) USER MOD Set 1.3: S 6 GLN : amide:sc= 0.762 K(o=2.4,f=-4.3) USER MOD Set 1.4: U 6 GLN : amide:sc= 0.301 K(o=2.4,f=-6.8!) USER MOD Set 1.5: W 6 GLN : amide:sc= 0.64 K(o=2.4,f=-5.6!) USER MOD Set 1.6: Y 6 GLN : amide:sc= -0.658 K(o=2.4,f=-5.9!) USER MOD Set 2.1: A 6 GLN : amide:sc= 0.743 K(o=3.6,f=2.2) USER MOD Set 2.2: C 6 GLN : amide:sc= 1.12 K(o=3.6,f=-1.2!) USER MOD Set 2.3: E 6 GLN : amide:sc= 0.919 K(o=3.6,f=-3.6!) USER MOD Set 2.4: G 6 GLN : amide:sc= 0.655 K(o=3.6,f=-6.1!) USER MOD Set 2.5: I 6 GLN : amide:sc= 0.735 K(o=3.6,f=-5.4!) USER MOD Set 2.6: K 6 GLN : amide:sc= -0.548 K(o=3.6,f=-5.1!) USER MOD Single : A 1 ILE N :NH3+ -134:sc= -0.312 (180deg=-1.16) USER MOD Single : C 1 ILE N :NH3+ -152:sc= -0.158 (180deg=-1.11) USER MOD Single : E 1 ILE N :NH3+ -155:sc= -0.239 (180deg=-1.07) USER MOD Single : G 1 ILE N :NH3+ -151:sc= -0.21 (180deg=-1.09) USER MOD Single : I 1 ILE N :NH3+ -152:sc= -0.191 (180deg=-1.06) USER MOD Single : K 1 ILE N :NH3+ -132:sc= -0.148 (180deg=-0.972) USER MOD Single : O 1 ILE N :NH3+ -151:sc= -0.221 (180deg=-1.13) USER MOD Single : Q 1 ILE N :NH3+ -148:sc= -0.172 (180deg=-1.01) USER MOD Single : S 1 ILE N :NH3+ -154:sc= -0.159 (180deg=-1.08) USER MOD Single : U 1 ILE N :NH3+ -155:sc= -0.16 (180deg=-1.13) USER MOD Single : W 1 ILE N :NH3+ -136:sc= -0.143 (180deg=-1.01) USER MOD Single : Y 1 ILE N :NH3+ -153:sc= -0.135 (180deg=-0.997) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.152 -11.410 7.095 1.00 0.00 N ATOM 2 CA ILE A 1 -11.434 -10.161 7.859 1.00 0.00 C ATOM 3 C ILE A 1 -11.526 -8.992 6.885 1.00 0.00 C ATOM 4 O ILE A 1 -10.675 -8.834 6.010 1.00 0.00 O ATOM 5 CB ILE A 1 -10.295 -9.911 8.860 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.199 -11.095 9.825 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.579 -8.635 9.653 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.911 -10.986 10.644 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.780 -12.170 7.427 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.318 -11.242 6.082 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.161 -11.691 7.242 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.375 -10.260 8.400 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.355 -9.800 8.319 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.064 -11.108 10.488 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.210 -12.032 9.269 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.770 -8.460 10.362 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.651 -7.790 8.969 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.519 -8.745 10.194 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -8.844 -11.830 11.331 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.052 -10.995 9.974 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.919 -10.056 11.212 1.00 0.00 H new ATOM 22 N HIS A 2 -12.552 -8.159 7.044 1.00 0.00 N ATOM 23 CA HIS A 2 -12.713 -7.007 6.196 1.00 0.00 C ATOM 24 C HIS A 2 -12.523 -5.763 7.050 1.00 0.00 C ATOM 25 O HIS A 2 -13.243 -5.568 8.030 1.00 0.00 O ATOM 26 CB HIS A 2 -14.151 -7.049 5.635 1.00 0.00 C ATOM 27 CG HIS A 2 -14.539 -5.720 5.048 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.841 -5.206 5.123 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.809 -4.796 4.365 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.840 -4.020 4.497 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.635 -3.716 4.013 1.00 0.00 N ATOM 0 H HIS A 2 -13.276 -8.270 7.754 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.992 -6.997 5.379 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -14.225 -7.823 4.871 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.848 -7.317 6.429 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.642 -5.652 5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.758 -4.880 4.130 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.710 -3.388 4.397 1.00 0.00 H new ATOM 38 N VAL A 3 -11.576 -4.908 6.667 1.00 0.00 N ATOM 39 CA VAL A 3 -11.338 -3.670 7.408 1.00 0.00 C ATOM 40 C VAL A 3 -11.593 -2.466 6.512 1.00 0.00 C ATOM 41 O VAL A 3 -10.936 -2.315 5.482 1.00 0.00 O ATOM 42 CB VAL A 3 -9.892 -3.638 7.910 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.667 -2.384 8.764 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.606 -4.890 8.751 1.00 0.00 C ATOM 0 H VAL A 3 -10.969 -5.046 5.859 1.00 0.00 H new ATOM 0 HA VAL A 3 -12.019 -3.631 8.258 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.218 -3.617 7.054 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.637 -2.366 9.119 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.860 -1.495 8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.345 -2.399 9.618 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.576 -4.862 9.106 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.283 -4.917 9.605 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.756 -5.780 8.140 1.00 0.00 H new ATOM 54 N HIS A 4 -12.499 -1.584 6.930 1.00 0.00 N ATOM 55 CA HIS A 4 -12.768 -0.382 6.192 1.00 0.00 C ATOM 56 C HIS A 4 -12.436 0.834 7.047 1.00 0.00 C ATOM 57 O HIS A 4 -12.859 0.925 8.199 1.00 0.00 O ATOM 58 CB HIS A 4 -14.244 -0.404 5.752 1.00 0.00 C ATOM 59 CG HIS A 4 -14.432 0.464 4.537 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.708 -0.028 3.243 1.00 0.00 N ATOM 61 CD2 HIS A 4 -14.391 1.808 4.426 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.818 1.038 2.434 1.00 0.00 C ATOM 63 NE2 HIS A 4 -14.637 2.183 3.102 1.00 0.00 N ATOM 0 H HIS A 4 -13.053 -1.692 7.780 1.00 0.00 H new ATOM 0 HA HIS A 4 -12.144 -0.322 5.300 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.551 -1.426 5.530 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.879 -0.050 6.564 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -14.197 2.492 5.239 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.027 0.979 1.376 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -14.671 3.130 2.725 1.00 0.00 H new ATOM 71 N LEU A 5 -11.671 1.767 6.483 1.00 0.00 N ATOM 72 CA LEU A 5 -11.276 2.974 7.210 1.00 0.00 C ATOM 73 C LEU A 5 -11.321 4.197 6.301 1.00 0.00 C ATOM 74 O LEU A 5 -10.550 4.307 5.341 1.00 0.00 O ATOM 75 CB LEU A 5 -9.858 2.770 7.766 1.00 0.00 C ATOM 76 CG LEU A 5 -9.911 2.011 9.110 1.00 0.00 C ATOM 77 CD1 LEU A 5 -8.590 1.270 9.331 1.00 0.00 C ATOM 78 CD2 LEU A 5 -10.109 3.014 10.259 1.00 0.00 C ATOM 0 H LEU A 5 -11.313 1.712 5.529 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.974 3.148 8.029 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -9.256 2.211 7.049 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.373 3.736 7.905 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.738 1.301 9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.628 0.734 10.280 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.431 0.560 8.519 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.770 1.987 9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.146 2.478 11.207 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.278 3.719 10.273 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -11.043 3.556 10.112 1.00 0.00 H new ATOM 90 N GLN A 6 -12.211 5.128 6.635 1.00 0.00 N ATOM 91 CA GLN A 6 -12.341 6.367 5.875 1.00 0.00 C ATOM 92 C GLN A 6 -11.938 7.534 6.769 1.00 0.00 C ATOM 93 O GLN A 6 -12.673 7.912 7.682 1.00 0.00 O ATOM 94 CB GLN A 6 -13.783 6.537 5.395 1.00 0.00 C ATOM 95 CG GLN A 6 -13.886 7.793 4.528 1.00 0.00 C ATOM 96 CD GLN A 6 -15.332 8.031 4.117 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.216 8.134 4.969 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.623 8.144 2.851 1.00 0.00 N ATOM 0 H GLN A 6 -12.851 5.048 7.425 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.691 6.336 5.000 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.093 5.662 4.824 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.455 6.616 6.249 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.510 8.655 5.078 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.262 7.684 3.641 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.888 8.058 2.149 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.586 8.318 2.563 1.00 0.00 H new ATOM 107 N ILE A 7 -10.760 8.095 6.504 1.00 0.00 N ATOM 108 CA ILE A 7 -10.255 9.214 7.300 1.00 0.00 C ATOM 109 C ILE A 7 -9.410 10.142 6.441 1.00 0.00 C ATOM 110 O ILE A 7 -8.543 10.800 6.990 1.00 0.00 O ATOM 111 CB ILE A 7 -9.430 8.679 8.484 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.258 7.845 7.963 1.00 0.00 C ATOM 113 CG2 ILE A 7 -10.317 7.818 9.383 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.420 7.352 9.145 1.00 0.00 C ATOM 115 OXT ILE A 7 -9.654 10.194 5.247 1.00 0.00 O ATOM 0 H ILE A 7 -10.141 7.797 5.750 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.101 9.783 7.685 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.043 9.519 9.060 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.628 6.997 7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.642 8.443 7.291 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.730 7.441 10.220 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.144 8.419 9.761 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.711 6.979 8.809 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.584 6.757 8.776 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.038 8.207 9.702 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.040 6.739 9.800 1.00 0.00 H new TER 127 ILE A 7 ATOM 128 N ILE C 1 -8.119 -11.564 3.518 1.00 0.00 N ATOM 129 CA ILE C 1 -8.330 -10.299 4.278 1.00 0.00 C ATOM 130 C ILE C 1 -8.345 -9.127 3.304 1.00 0.00 C ATOM 131 O ILE C 1 -7.405 -8.935 2.523 1.00 0.00 O ATOM 132 CB ILE C 1 -7.205 -10.128 5.315 1.00 0.00 C ATOM 133 CG1 ILE C 1 -7.298 -11.286 6.315 1.00 0.00 C ATOM 134 CG2 ILE C 1 -7.379 -8.799 6.050 1.00 0.00 C ATOM 135 CD1 ILE C 1 -6.066 -11.302 7.213 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.559 -12.355 4.031 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.551 -11.479 2.576 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.099 -11.742 3.416 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.284 -10.334 4.804 1.00 0.00 H new ATOM 0 HB ILE C 1 -6.233 -10.131 4.822 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -8.198 -11.182 6.921 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.381 -12.233 5.781 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.581 -8.681 6.783 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -7.337 -7.979 5.333 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -8.343 -8.788 6.558 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -6.142 -12.128 7.920 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -5.172 -11.428 6.602 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -6.002 -10.361 7.760 1.00 0.00 H new ATOM 149 N HIS C 2 -9.422 -8.340 3.348 1.00 0.00 N ATOM 150 CA HIS C 2 -9.538 -7.178 2.465 1.00 0.00 C ATOM 151 C HIS C 2 -9.429 -5.907 3.301 1.00 0.00 C ATOM 152 O HIS C 2 -10.208 -5.708 4.231 1.00 0.00 O ATOM 153 CB HIS C 2 -10.914 -7.198 1.759 1.00 0.00 C ATOM 154 CG HIS C 2 -10.872 -8.032 0.500 1.00 0.00 C ATOM 155 ND1 HIS C 2 -11.119 -7.482 -0.748 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.637 -9.369 0.277 1.00 0.00 C ATOM 157 CE1 HIS C 2 -11.027 -8.471 -1.656 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.736 -9.642 -1.084 1.00 0.00 N ATOM 0 H HIS C 2 -10.214 -8.482 3.975 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.744 -7.207 1.719 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.668 -7.597 2.438 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.214 -6.179 1.513 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.410 -10.097 1.042 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.171 -8.334 -2.718 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.613 -10.543 -1.546 1.00 0.00 H new ATOM 166 N VAL C 3 -8.485 -5.033 2.948 1.00 0.00 N ATOM 167 CA VAL C 3 -8.326 -3.766 3.663 1.00 0.00 C ATOM 168 C VAL C 3 -8.625 -2.599 2.729 1.00 0.00 C ATOM 169 O VAL C 3 -8.007 -2.485 1.669 1.00 0.00 O ATOM 170 CB VAL C 3 -6.898 -3.645 4.189 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.759 -2.339 4.970 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.586 -4.832 5.106 1.00 0.00 C ATOM 0 H VAL C 3 -7.827 -5.176 2.182 1.00 0.00 H new ATOM 0 HA VAL C 3 -9.024 -3.743 4.500 1.00 0.00 H new ATOM 0 HB VAL C 3 -6.198 -3.646 3.353 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.741 -2.248 5.348 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.979 -1.497 4.313 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -7.458 -2.339 5.807 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.566 -4.744 5.481 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -7.282 -4.836 5.945 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.688 -5.761 4.546 1.00 0.00 H new ATOM 182 N HIS C 4 -9.543 -1.717 3.126 1.00 0.00 N ATOM 183 CA HIS C 4 -9.869 -0.540 2.303 1.00 0.00 C ATOM 184 C HIS C 4 -9.523 0.725 3.104 1.00 0.00 C ATOM 185 O HIS C 4 -9.928 0.857 4.262 1.00 0.00 O ATOM 186 CB HIS C 4 -11.375 -0.571 1.913 1.00 0.00 C ATOM 187 CG HIS C 4 -11.761 -1.890 1.217 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.963 -2.562 1.486 1.00 0.00 N ATOM 189 CD2 HIS C 4 -11.118 -2.675 0.272 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.992 -3.677 0.731 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.897 -3.800 -0.026 1.00 0.00 N ATOM 0 H HIS C 4 -10.069 -1.788 3.997 1.00 0.00 H new ATOM 0 HA HIS C 4 -9.289 -0.545 1.380 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.984 -0.441 2.807 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.596 0.267 1.252 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -10.158 -2.452 -0.169 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.805 -4.388 0.737 1.00 0.00 H new ATOM 198 N LEU C 5 -8.755 1.639 2.498 1.00 0.00 N ATOM 199 CA LEU C 5 -8.332 2.873 3.185 1.00 0.00 C ATOM 200 C LEU C 5 -8.460 4.074 2.265 1.00 0.00 C ATOM 201 O LEU C 5 -7.909 4.085 1.158 1.00 0.00 O ATOM 202 CB LEU C 5 -6.872 2.686 3.600 1.00 0.00 C ATOM 203 CG LEU C 5 -6.803 1.792 4.860 1.00 0.00 C ATOM 204 CD1 LEU C 5 -5.570 0.885 4.812 1.00 0.00 C ATOM 205 CD2 LEU C 5 -6.713 2.671 6.113 1.00 0.00 C ATOM 0 H LEU C 5 -8.414 1.552 1.541 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.965 3.056 4.053 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -6.307 2.230 2.787 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -6.414 3.654 3.803 1.00 0.00 H new ATOM 0 HG LEU C 5 -7.703 1.178 4.892 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -5.540 0.264 5.707 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -5.622 0.247 3.930 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -4.669 1.497 4.765 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -6.665 2.038 6.999 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -5.817 3.290 6.060 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -7.593 3.311 6.172 1.00 0.00 H new ATOM 217 N GLN C 6 -9.163 5.098 2.739 1.00 0.00 N ATOM 218 CA GLN C 6 -9.329 6.319 1.961 1.00 0.00 C ATOM 219 C GLN C 6 -8.866 7.503 2.795 1.00 0.00 C ATOM 220 O GLN C 6 -9.451 7.812 3.837 1.00 0.00 O ATOM 221 CB GLN C 6 -10.795 6.487 1.565 1.00 0.00 C ATOM 222 CG GLN C 6 -10.935 7.692 0.635 1.00 0.00 C ATOM 223 CD GLN C 6 -12.403 7.929 0.305 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.216 8.155 1.203 1.00 0.00 O ATOM 225 NE2 GLN C 6 -12.791 7.892 -0.940 1.00 0.00 N ATOM 0 H GLN C 6 -9.623 5.107 3.650 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.731 6.263 1.051 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.154 5.586 1.068 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.410 6.627 2.454 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -10.513 8.578 1.109 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.371 7.521 -0.282 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.114 7.705 -1.680 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -13.771 8.051 -1.174 1.00 0.00 H new ATOM 234 N ILE C 7 -7.797 8.157 2.340 1.00 0.00 N ATOM 235 CA ILE C 7 -7.246 9.300 3.062 1.00 0.00 C ATOM 236 C ILE C 7 -6.717 10.336 2.072 1.00 0.00 C ATOM 237 O ILE C 7 -5.606 10.800 2.266 1.00 0.00 O ATOM 238 CB ILE C 7 -6.105 8.843 3.993 1.00 0.00 C ATOM 239 CG1 ILE C 7 -6.451 7.481 4.609 1.00 0.00 C ATOM 240 CG2 ILE C 7 -5.914 9.873 5.101 1.00 0.00 C ATOM 241 CD1 ILE C 7 -5.298 7.015 5.500 1.00 0.00 C ATOM 242 OXT ILE C 7 -7.431 10.647 1.134 1.00 0.00 O ATOM 0 H ILE C 7 -7.300 7.916 1.482 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.037 9.748 3.663 1.00 0.00 H new ATOM 0 HB ILE C 7 -5.184 8.751 3.418 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -7.368 7.557 5.193 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.634 6.750 3.822 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -5.108 9.552 5.761 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -5.661 10.838 4.661 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.836 9.966 5.674 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -5.544 6.047 5.937 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -4.391 6.923 4.903 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -5.136 7.742 6.296 1.00 0.00 H new TER 254 ILE C 7 ATOM 255 N ILE E 1 -4.960 -11.542 -0.211 1.00 0.00 N ATOM 256 CA ILE E 1 -5.185 -10.253 0.504 1.00 0.00 C ATOM 257 C ILE E 1 -5.353 -9.137 -0.522 1.00 0.00 C ATOM 258 O ILE E 1 -4.536 -8.995 -1.439 1.00 0.00 O ATOM 259 CB ILE E 1 -3.974 -9.954 1.400 1.00 0.00 C ATOM 260 CG1 ILE E 1 -3.799 -11.086 2.415 1.00 0.00 C ATOM 261 CG2 ILE E 1 -4.190 -8.637 2.150 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.464 -10.918 3.145 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.259 -12.332 0.395 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.514 -11.552 -1.091 1.00 0.00 H new ATOM 0 H3 ILE E 1 -3.950 -11.642 -0.437 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.082 -10.320 1.119 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.083 -9.873 0.777 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.621 -11.076 3.131 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -3.829 -12.051 1.908 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.326 -8.433 2.783 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.314 -7.826 1.433 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -5.084 -8.713 2.769 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.340 -11.725 3.868 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.648 -10.949 2.423 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.452 -9.960 3.665 1.00 0.00 H new ATOM 276 N HIS E 2 -6.400 -8.323 -0.354 1.00 0.00 N ATOM 277 CA HIS E 2 -6.629 -7.213 -1.249 1.00 0.00 C ATOM 278 C HIS E 2 -6.421 -5.928 -0.470 1.00 0.00 C ATOM 279 O HIS E 2 -7.091 -5.700 0.538 1.00 0.00 O ATOM 280 CB HIS E 2 -8.095 -7.282 -1.733 1.00 0.00 C ATOM 281 CG HIS E 2 -8.502 -5.982 -2.383 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.781 -5.408 -2.255 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.800 -5.134 -3.185 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.790 -4.279 -2.968 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.619 -4.054 -3.557 1.00 0.00 N ATOM 0 H HIS E 2 -7.090 -8.420 0.391 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.950 -7.248 -2.101 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.211 -8.101 -2.442 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.752 -7.495 -0.890 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.772 -5.270 -3.488 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.646 -3.626 -3.056 1.00 0.00 H new ATOM 292 N VAL E 3 -5.519 -5.074 -0.947 1.00 0.00 N ATOM 293 CA VAL E 3 -5.274 -3.796 -0.284 1.00 0.00 C ATOM 294 C VAL E 3 -5.611 -2.652 -1.222 1.00 0.00 C ATOM 295 O VAL E 3 -5.009 -2.536 -2.292 1.00 0.00 O ATOM 296 CB VAL E 3 -3.805 -3.702 0.127 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.557 -2.398 0.893 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.449 -4.895 1.017 1.00 0.00 C ATOM 0 H VAL E 3 -4.952 -5.240 -1.779 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.905 -3.730 0.603 1.00 0.00 H new ATOM 0 HB VAL E 3 -3.181 -3.713 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.508 -2.340 1.182 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.806 -1.549 0.256 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -4.181 -2.377 1.786 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.401 -4.830 1.311 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -4.077 -4.885 1.908 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.614 -5.821 0.467 1.00 0.00 H new ATOM 308 N HIS E 4 -6.520 -1.774 -0.806 1.00 0.00 N ATOM 309 CA HIS E 4 -6.855 -0.624 -1.589 1.00 0.00 C ATOM 310 C HIS E 4 -6.519 0.641 -0.813 1.00 0.00 C ATOM 311 O HIS E 4 -6.897 0.782 0.352 1.00 0.00 O ATOM 312 CB HIS E 4 -8.345 -0.711 -1.963 1.00 0.00 C ATOM 313 CG HIS E 4 -8.619 0.109 -3.193 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.916 -0.433 -4.462 1.00 0.00 N ATOM 315 CD2 HIS E 4 -8.660 1.449 -3.340 1.00 0.00 C ATOM 316 CE1 HIS E 4 -9.119 0.600 -5.292 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.979 1.771 -4.662 1.00 0.00 N ATOM 0 H HIS E 4 -7.030 -1.852 0.074 1.00 0.00 H new ATOM 0 HA HIS E 4 -6.274 -0.591 -2.511 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.623 -1.750 -2.140 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.957 -0.354 -1.135 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -8.474 2.166 -2.554 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -9.365 0.499 -6.339 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -9.083 2.703 -5.062 1.00 0.00 H new ATOM 325 N LEU E 5 -5.798 1.558 -1.458 1.00 0.00 N ATOM 326 CA LEU E 5 -5.397 2.807 -0.813 1.00 0.00 C ATOM 327 C LEU E 5 -5.533 3.985 -1.768 1.00 0.00 C ATOM 328 O LEU E 5 -4.813 4.083 -2.769 1.00 0.00 O ATOM 329 CB LEU E 5 -3.939 2.664 -0.341 1.00 0.00 C ATOM 330 CG LEU E 5 -3.894 2.023 1.062 1.00 0.00 C ATOM 331 CD1 LEU E 5 -2.569 1.281 1.249 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.993 3.125 2.127 1.00 0.00 C ATOM 0 H LEU E 5 -5.481 1.460 -2.423 1.00 0.00 H new ATOM 0 HA LEU E 5 -6.049 3.001 0.038 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -3.379 2.051 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -3.459 3.642 -0.318 1.00 0.00 H new ATOM 0 HG LEU E 5 -4.725 1.325 1.163 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -2.541 0.830 2.241 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -2.479 0.501 0.493 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -1.741 1.983 1.146 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -3.962 2.676 3.120 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -3.157 3.816 2.015 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -4.931 3.667 2.004 1.00 0.00 H new ATOM 344 N GLN E 6 -6.440 4.899 -1.427 1.00 0.00 N ATOM 345 CA GLN E 6 -6.650 6.097 -2.234 1.00 0.00 C ATOM 346 C GLN E 6 -6.225 7.317 -1.431 1.00 0.00 C ATOM 347 O GLN E 6 -6.905 7.711 -0.481 1.00 0.00 O ATOM 348 CB GLN E 6 -8.122 6.211 -2.627 1.00 0.00 C ATOM 349 CG GLN E 6 -8.304 7.396 -3.575 1.00 0.00 C ATOM 350 CD GLN E 6 -9.779 7.582 -3.905 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.626 7.595 -3.009 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.134 7.724 -5.152 1.00 0.00 N ATOM 0 H GLN E 6 -7.037 4.833 -0.603 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.053 6.035 -3.144 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.453 5.291 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.738 6.345 -1.738 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -7.909 8.302 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.737 7.229 -4.491 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.428 7.712 -5.888 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.118 7.847 -5.391 1.00 0.00 H new ATOM 361 N ILE E 7 -5.090 7.902 -1.810 1.00 0.00 N ATOM 362 CA ILE E 7 -4.566 9.069 -1.105 1.00 0.00 C ATOM 363 C ILE E 7 -3.789 9.967 -2.055 1.00 0.00 C ATOM 364 O ILE E 7 -2.932 10.696 -1.584 1.00 0.00 O ATOM 365 CB ILE E 7 -3.665 8.607 0.051 1.00 0.00 C ATOM 366 CG1 ILE E 7 -2.487 7.799 -0.495 1.00 0.00 C ATOM 367 CG2 ILE E 7 -4.468 7.734 1.011 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.609 7.315 0.666 1.00 0.00 C ATOM 369 OXT ILE E 7 -4.075 9.924 -3.239 1.00 0.00 O ATOM 0 H ILE E 7 -4.520 7.589 -2.596 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.400 9.644 -0.704 1.00 0.00 H new ATOM 0 HB ILE E 7 -3.290 9.484 0.578 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -2.853 6.946 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -1.898 8.412 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -3.826 7.408 1.830 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -5.304 8.307 1.411 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -4.848 6.862 0.479 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -0.771 6.740 0.273 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.231 8.175 1.219 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -2.200 6.686 1.332 1.00 0.00 H new TER 381 ILE E 7 ATOM 382 N ILE G 1 -1.831 -11.703 -3.867 1.00 0.00 N ATOM 383 CA ILE G 1 -2.023 -10.408 -3.156 1.00 0.00 C ATOM 384 C ILE G 1 -2.121 -9.282 -4.178 1.00 0.00 C ATOM 385 O ILE G 1 -1.214 -9.083 -4.994 1.00 0.00 O ATOM 386 CB ILE G 1 -0.838 -10.166 -2.213 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.821 -11.275 -1.156 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.994 -8.812 -1.529 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.473 -11.203 -0.354 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.238 -12.474 -3.300 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.306 -11.665 -4.791 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.815 -11.875 -4.007 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.942 -10.438 -2.571 1.00 0.00 H new ATOM 0 HB ILE G 1 0.094 -10.173 -2.778 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.678 -11.170 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.908 -12.249 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE G 1 -0.150 -8.643 -0.860 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -1.023 -8.025 -2.282 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.921 -8.799 -0.955 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.480 -11.994 0.396 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.324 -11.330 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.542 -10.234 0.140 1.00 0.00 H new ATOM 403 N HIS G 2 -3.224 -8.534 -4.131 1.00 0.00 N ATOM 404 CA HIS G 2 -3.411 -7.419 -5.061 1.00 0.00 C ATOM 405 C HIS G 2 -3.310 -6.108 -4.290 1.00 0.00 C ATOM 406 O HIS G 2 -4.052 -5.890 -3.333 1.00 0.00 O ATOM 407 CB HIS G 2 -4.808 -7.517 -5.714 1.00 0.00 C ATOM 408 CG HIS G 2 -4.770 -8.385 -6.950 1.00 0.00 C ATOM 409 ND1 HIS G 2 -5.075 -7.885 -8.207 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.492 -9.719 -7.137 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.973 -8.901 -9.084 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.621 -10.041 -8.485 1.00 0.00 N ATOM 0 H HIS G 2 -3.989 -8.675 -3.472 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.645 -7.457 -5.836 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.520 -7.929 -4.998 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.161 -6.520 -5.977 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.215 -10.412 -6.356 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.154 -8.805 -10.144 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.478 -10.952 -8.921 1.00 0.00 H new ATOM 420 N VAL G 3 -2.410 -5.227 -4.727 1.00 0.00 N ATOM 421 CA VAL G 3 -2.252 -3.925 -4.083 1.00 0.00 C ATOM 422 C VAL G 3 -2.633 -2.812 -5.053 1.00 0.00 C ATOM 423 O VAL G 3 -2.069 -2.732 -6.147 1.00 0.00 O ATOM 424 CB VAL G 3 -0.801 -3.742 -3.647 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.654 -2.394 -2.945 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.405 -4.871 -2.691 1.00 0.00 C ATOM 0 H VAL G 3 -1.785 -5.389 -5.517 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.905 -3.880 -3.211 1.00 0.00 H new ATOM 0 HB VAL G 3 -0.149 -3.770 -4.520 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.381 -2.258 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.933 -1.594 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -1.305 -2.366 -2.071 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.632 -4.738 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -1.052 -4.849 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.512 -5.831 -3.197 1.00 0.00 H new ATOM 436 N HIS G 4 -3.556 -1.938 -4.652 1.00 0.00 N ATOM 437 CA HIS G 4 -3.957 -0.814 -5.513 1.00 0.00 C ATOM 438 C HIS G 4 -3.615 0.498 -4.793 1.00 0.00 C ATOM 439 O HIS G 4 -3.974 0.679 -3.627 1.00 0.00 O ATOM 440 CB HIS G 4 -5.479 -0.908 -5.827 1.00 0.00 C ATOM 441 CG HIS G 4 -5.845 -2.267 -6.451 1.00 0.00 C ATOM 442 ND1 HIS G 4 -7.010 -2.971 -6.104 1.00 0.00 N ATOM 443 CD2 HIS G 4 -5.211 -3.068 -7.387 1.00 0.00 C ATOM 444 CE1 HIS G 4 -7.023 -4.118 -6.808 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.955 -4.231 -7.603 1.00 0.00 N ATOM 0 H HIS G 4 -4.036 -1.980 -3.753 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.420 -0.848 -6.461 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -6.050 -0.762 -4.910 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.761 -0.106 -6.509 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -4.279 -2.829 -7.877 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.805 -4.860 -6.739 1.00 0.00 H new ATOM 452 N LEU G 5 -2.903 1.402 -5.479 1.00 0.00 N ATOM 453 CA LEU G 5 -2.490 2.682 -4.877 1.00 0.00 C ATOM 454 C LEU G 5 -2.707 3.829 -5.847 1.00 0.00 C ATOM 455 O LEU G 5 -2.215 3.799 -6.983 1.00 0.00 O ATOM 456 CB LEU G 5 -1.004 2.574 -4.529 1.00 0.00 C ATOM 457 CG LEU G 5 -0.839 1.719 -3.251 1.00 0.00 C ATOM 458 CD1 LEU G 5 0.451 0.895 -3.309 1.00 0.00 C ATOM 459 CD2 LEU G 5 -0.778 2.632 -2.023 1.00 0.00 C ATOM 0 H LEU G 5 -2.601 1.275 -6.445 1.00 0.00 H new ATOM 0 HA LEU G 5 -3.085 2.881 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.457 2.122 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.582 3.567 -4.373 1.00 0.00 H new ATOM 0 HG LEU G 5 -1.693 1.046 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU G 5 0.545 0.302 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU G 5 0.420 0.231 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU G 5 1.307 1.564 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU G 5 -0.662 2.026 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU G 5 0.070 3.310 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -1.699 3.211 -1.954 1.00 0.00 H new ATOM 471 N GLN G 6 -3.413 4.857 -5.387 1.00 0.00 N ATOM 472 CA GLN G 6 -3.657 6.031 -6.218 1.00 0.00 C ATOM 473 C GLN G 6 -3.194 7.272 -5.471 1.00 0.00 C ATOM 474 O GLN G 6 -3.759 7.635 -4.438 1.00 0.00 O ATOM 475 CB GLN G 6 -5.145 6.130 -6.553 1.00 0.00 C ATOM 476 CG GLN G 6 -5.371 7.280 -7.533 1.00 0.00 C ATOM 477 CD GLN G 6 -6.861 7.451 -7.807 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.647 7.685 -6.883 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.296 7.350 -9.033 1.00 0.00 N ATOM 0 H GLN G 6 -3.822 4.902 -4.454 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.100 5.947 -7.151 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.494 5.193 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.723 6.294 -5.644 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -4.961 8.203 -7.123 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -4.842 7.082 -8.466 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.642 7.157 -9.792 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.290 7.464 -9.233 1.00 0.00 H new ATOM 488 N ILE G 7 -2.151 7.917 -5.994 1.00 0.00 N ATOM 489 CA ILE G 7 -1.605 9.115 -5.360 1.00 0.00 C ATOM 490 C ILE G 7 -1.150 10.109 -6.427 1.00 0.00 C ATOM 491 O ILE G 7 -0.046 10.616 -6.307 1.00 0.00 O ATOM 492 CB ILE G 7 -0.413 8.743 -4.452 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.674 7.385 -3.788 1.00 0.00 C ATOM 494 CG2 ILE G 7 -0.233 9.820 -3.388 1.00 0.00 C ATOM 495 CD1 ILE G 7 0.527 6.999 -2.928 1.00 0.00 C ATOM 496 OXT ILE G 7 -1.911 10.344 -7.351 1.00 0.00 O ATOM 0 H ILE G 7 -1.671 7.632 -6.848 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.384 9.574 -4.751 1.00 0.00 H new ATOM 0 HB ILE G 7 0.496 8.675 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -1.573 7.435 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.850 6.624 -4.549 1.00 0.00 H new ATOM 0 HG21 ILE G 7 0.608 9.560 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -0.039 10.778 -3.870 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.140 9.893 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE G 7 0.342 6.034 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE G 7 1.416 6.932 -3.554 1.00 0.00 H new ATOM 0 HD13 ILE G 7 0.682 7.755 -2.159 1.00 0.00 H new TER 508 ILE G 7 ATOM 509 N ILE I 1 1.208 -11.640 -7.680 1.00 0.00 N ATOM 510 CA ILE I 1 0.986 -10.330 -7.005 1.00 0.00 C ATOM 511 C ILE I 1 0.755 -9.255 -8.061 1.00 0.00 C ATOM 512 O ILE I 1 1.547 -9.116 -8.997 1.00 0.00 O ATOM 513 CB ILE I 1 2.224 -9.973 -6.170 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.453 -11.060 -5.119 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.008 -8.630 -5.465 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.814 -10.846 -4.454 1.00 0.00 C ATOM 0 H1 ILE I 1 0.901 -12.410 -7.052 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.659 -11.673 -8.563 1.00 0.00 H new ATOM 0 H3 ILE I 1 2.219 -11.752 -7.897 1.00 0.00 H new ATOM 0 HA ILE I 1 0.115 -10.394 -6.353 1.00 0.00 H new ATOM 0 HB ILE I 1 3.091 -9.900 -6.826 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.661 -11.030 -4.370 1.00 0.00 H new ATOM 0 HG13 ILE I 1 2.414 -12.045 -5.584 1.00 0.00 H new ATOM 0 HG21 ILE I 1 2.890 -8.383 -4.874 1.00 0.00 H new ATOM 0 HG22 ILE I 1 1.840 -7.851 -6.209 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.140 -8.699 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.979 -11.620 -3.705 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.600 -10.898 -5.208 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.835 -9.867 -3.975 1.00 0.00 H new ATOM 530 N HIS I 2 -0.316 -8.471 -7.896 1.00 0.00 N ATOM 531 CA HIS I 2 -0.601 -7.401 -8.824 1.00 0.00 C ATOM 532 C HIS I 2 -0.382 -6.082 -8.104 1.00 0.00 C ATOM 533 O HIS I 2 -1.011 -5.826 -7.078 1.00 0.00 O ATOM 534 CB HIS I 2 -2.083 -7.509 -9.250 1.00 0.00 C ATOM 535 CG HIS I 2 -2.530 -6.240 -9.932 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.828 -5.711 -9.813 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.857 -5.384 -10.750 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.874 -4.593 -10.545 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.711 -4.338 -11.139 1.00 0.00 N ATOM 0 H HIS I 2 -0.986 -8.565 -7.133 1.00 0.00 H new ATOM 0 HA HIS I 2 0.043 -7.462 -9.701 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.213 -8.356 -9.923 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.706 -7.698 -8.376 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.826 -5.492 -11.053 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.751 -3.971 -10.643 1.00 0.00 H new ATOM 546 N VAL I 3 0.483 -5.233 -8.655 1.00 0.00 N ATOM 547 CA VAL I 3 0.733 -3.926 -8.055 1.00 0.00 C ATOM 548 C VAL I 3 0.327 -2.829 -9.021 1.00 0.00 C ATOM 549 O VAL I 3 0.883 -2.741 -10.118 1.00 0.00 O ATOM 550 CB VAL I 3 2.222 -3.791 -7.726 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.494 -2.451 -7.033 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.647 -4.938 -6.806 1.00 0.00 C ATOM 0 H VAL I 3 1.015 -5.423 -9.504 1.00 0.00 H new ATOM 0 HA VAL I 3 0.147 -3.834 -7.141 1.00 0.00 H new ATOM 0 HB VAL I 3 2.794 -3.831 -8.653 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.557 -2.368 -6.805 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.200 -1.634 -7.692 1.00 0.00 H new ATOM 0 HG13 VAL I 3 1.919 -2.396 -6.109 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.707 -4.842 -6.571 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.066 -4.899 -5.884 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.470 -5.890 -7.306 1.00 0.00 H new ATOM 562 N HIS I 4 -0.587 -1.956 -8.600 1.00 0.00 N ATOM 563 CA HIS I 4 -0.978 -0.846 -9.416 1.00 0.00 C ATOM 564 C HIS I 4 -0.646 0.456 -8.710 1.00 0.00 C ATOM 565 O HIS I 4 -0.985 0.640 -7.540 1.00 0.00 O ATOM 566 CB HIS I 4 -2.474 -0.980 -9.750 1.00 0.00 C ATOM 567 CG HIS I 4 -2.794 -0.205 -10.999 1.00 0.00 C ATOM 568 ND1 HIS I 4 -3.114 -0.797 -12.238 1.00 0.00 N ATOM 569 CD2 HIS I 4 -2.862 1.127 -11.194 1.00 0.00 C ATOM 570 CE1 HIS I 4 -3.359 0.201 -13.101 1.00 0.00 C ATOM 571 NE2 HIS I 4 -3.223 1.397 -12.518 1.00 0.00 N ATOM 0 H HIS I 4 -1.060 -2.010 -7.698 1.00 0.00 H new ATOM 0 HA HIS I 4 -0.426 -0.841 -10.356 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.732 -2.030 -9.888 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -3.075 -0.611 -8.919 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -2.667 1.875 -10.440 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -3.632 0.057 -14.136 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -3.355 2.312 -12.948 1.00 0.00 H new ATOM 579 N LEU I 5 0.031 1.354 -9.424 1.00 0.00 N ATOM 580 CA LEU I 5 0.431 2.640 -8.858 1.00 0.00 C ATOM 581 C LEU I 5 0.225 3.769 -9.856 1.00 0.00 C ATOM 582 O LEU I 5 0.898 3.834 -10.893 1.00 0.00 O ATOM 583 CB LEU I 5 1.912 2.551 -8.447 1.00 0.00 C ATOM 584 CG LEU I 5 2.036 1.971 -7.023 1.00 0.00 C ATOM 585 CD1 LEU I 5 3.395 1.286 -6.858 1.00 0.00 C ATOM 586 CD2 LEU I 5 1.933 3.113 -6.002 1.00 0.00 C ATOM 0 H LEU I 5 0.313 1.214 -10.394 1.00 0.00 H new ATOM 0 HA LEU I 5 -0.188 2.859 -7.988 1.00 0.00 H new ATOM 0 HB2 LEU I 5 2.455 1.922 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU I 5 2.368 3.540 -8.485 1.00 0.00 H new ATOM 0 HG LEU I 5 1.238 1.246 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU I 5 3.477 0.878 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU I 5 3.486 0.479 -7.585 1.00 0.00 H new ATOM 0 HD13 LEU I 5 4.191 2.013 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU I 5 2.020 2.708 -4.994 1.00 0.00 H new ATOM 0 HD22 LEU I 5 2.735 3.830 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU I 5 0.970 3.612 -6.111 1.00 0.00 H new ATOM 598 N GLN I 6 -0.687 4.676 -9.518 1.00 0.00 N ATOM 599 CA GLN I 6 -0.962 5.829 -10.372 1.00 0.00 C ATOM 600 C GLN I 6 -0.522 7.099 -9.660 1.00 0.00 C ATOM 601 O GLN I 6 -1.181 7.552 -8.726 1.00 0.00 O ATOM 602 CB GLN I 6 -2.455 5.893 -10.686 1.00 0.00 C ATOM 603 CG GLN I 6 -2.710 7.024 -11.677 1.00 0.00 C ATOM 604 CD GLN I 6 -4.200 7.169 -11.948 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.013 7.151 -11.021 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.604 7.316 -13.179 1.00 0.00 N ATOM 0 H GLN I 6 -1.245 4.637 -8.665 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.410 5.732 -11.307 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.792 4.944 -11.104 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -3.025 6.059 -9.772 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.314 7.959 -11.281 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.182 6.824 -12.610 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.925 7.330 -13.940 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.599 7.417 -13.381 1.00 0.00 H new ATOM 615 N ILE I 7 0.601 7.665 -10.109 1.00 0.00 N ATOM 616 CA ILE I 7 1.140 8.881 -9.502 1.00 0.00 C ATOM 617 C ILE I 7 1.876 9.719 -10.540 1.00 0.00 C ATOM 618 O ILE I 7 2.805 10.416 -10.163 1.00 0.00 O ATOM 619 CB ILE I 7 2.091 8.495 -8.357 1.00 0.00 C ATOM 620 CG1 ILE I 7 3.285 7.715 -8.913 1.00 0.00 C ATOM 621 CG2 ILE I 7 1.349 7.623 -7.349 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.189 7.257 -7.762 1.00 0.00 C ATOM 623 OXT ILE I 7 1.495 9.659 -11.698 1.00 0.00 O ATOM 0 H ILE I 7 1.151 7.302 -10.887 1.00 0.00 H new ATOM 0 HA ILE I 7 0.318 9.478 -9.107 1.00 0.00 H new ATOM 0 HB ILE I 7 2.446 9.402 -7.868 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.935 6.851 -9.478 1.00 0.00 H new ATOM 0 HG13 ILE I 7 3.850 8.341 -9.604 1.00 0.00 H new ATOM 0 HG21 ILE I 7 2.024 7.350 -6.538 1.00 0.00 H new ATOM 0 HG22 ILE I 7 0.501 8.175 -6.945 1.00 0.00 H new ATOM 0 HG23 ILE I 7 0.991 6.720 -7.843 1.00 0.00 H new ATOM 0 HD11 ILE I 7 5.037 6.702 -8.164 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.551 8.128 -7.215 1.00 0.00 H new ATOM 0 HD13 ILE I 7 3.622 6.615 -7.088 1.00 0.00 H new TER 635 ILE I 7 ATOM 636 N ILE K 1 4.219 -11.774 -11.318 1.00 0.00 N ATOM 637 CA ILE K 1 4.106 -10.437 -10.666 1.00 0.00 C ATOM 638 C ILE K 1 3.924 -9.371 -11.736 1.00 0.00 C ATOM 639 O ILE K 1 4.798 -9.178 -12.582 1.00 0.00 O ATOM 640 CB ILE K 1 5.383 -10.155 -9.860 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.509 -11.204 -8.753 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.313 -8.765 -9.233 1.00 0.00 C ATOM 643 CD1 ILE K 1 6.883 -11.092 -8.096 1.00 0.00 C ATOM 0 H1 ILE K 1 3.588 -12.448 -10.839 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.947 -11.696 -12.319 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.201 -12.111 -11.251 1.00 0.00 H new ATOM 0 HA ILE K 1 3.247 -10.424 -9.995 1.00 0.00 H new ATOM 0 HB ILE K 1 6.247 -10.200 -10.523 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.726 -11.058 -8.009 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.373 -12.203 -9.167 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.223 -8.576 -8.664 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.214 -8.016 -10.019 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.451 -8.709 -8.568 1.00 0.00 H new ATOM 0 HD11 ILE K 1 6.971 -11.840 -7.308 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.658 -11.259 -8.844 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.001 -10.097 -7.667 1.00 0.00 H new ATOM 657 N HIS K 2 2.797 -8.659 -11.687 1.00 0.00 N ATOM 658 CA HIS K 2 2.541 -7.590 -12.655 1.00 0.00 C ATOM 659 C HIS K 2 2.679 -6.249 -11.944 1.00 0.00 C ATOM 660 O HIS K 2 2.000 -6.001 -10.947 1.00 0.00 O ATOM 661 CB HIS K 2 1.104 -7.725 -13.209 1.00 0.00 C ATOM 662 CG HIS K 2 1.078 -8.617 -14.423 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.702 -8.145 -15.675 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.351 -9.952 -14.590 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.758 -9.185 -16.529 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.147 -10.309 -15.919 1.00 0.00 N ATOM 0 H HIS K 2 2.057 -8.799 -10.999 1.00 0.00 H new ATOM 0 HA HIS K 2 3.252 -7.657 -13.478 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.450 -8.133 -12.439 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.716 -6.740 -13.468 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.675 -10.623 -13.808 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.518 -9.119 -17.580 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.268 -11.231 -16.338 1.00 0.00 H new ATOM 674 N VAL K 3 3.537 -5.376 -12.472 1.00 0.00 N ATOM 675 CA VAL K 3 3.725 -4.049 -11.885 1.00 0.00 C ATOM 676 C VAL K 3 3.255 -2.975 -12.866 1.00 0.00 C ATOM 677 O VAL K 3 3.736 -2.926 -13.999 1.00 0.00 O ATOM 678 CB VAL K 3 5.208 -3.838 -11.565 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.400 -2.464 -10.922 1.00 0.00 C ATOM 680 CG2 VAL K 3 5.697 -4.934 -10.605 1.00 0.00 C ATOM 0 H VAL K 3 4.108 -5.561 -13.297 1.00 0.00 H new ATOM 0 HA VAL K 3 3.140 -3.976 -10.968 1.00 0.00 H new ATOM 0 HB VAL K 3 5.786 -3.891 -12.487 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.455 -2.313 -10.694 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.063 -1.690 -11.611 1.00 0.00 H new ATOM 0 HG13 VAL K 3 4.818 -2.408 -10.002 1.00 0.00 H new ATOM 0 HG21 VAL K 3 6.752 -4.778 -10.382 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.121 -4.892 -9.681 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.565 -5.911 -11.071 1.00 0.00 H new ATOM 690 N HIS K 4 2.347 -2.096 -12.432 1.00 0.00 N ATOM 691 CA HIS K 4 1.869 -1.007 -13.303 1.00 0.00 C ATOM 692 C HIS K 4 2.242 0.331 -12.653 1.00 0.00 C ATOM 693 O HIS K 4 1.969 0.545 -11.469 1.00 0.00 O ATOM 694 CB HIS K 4 0.331 -1.123 -13.521 1.00 0.00 C ATOM 695 CG HIS K 4 -0.058 -2.494 -14.093 1.00 0.00 C ATOM 696 ND1 HIS K 4 -1.202 -3.199 -13.679 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.534 -3.303 -15.045 1.00 0.00 C ATOM 698 CE1 HIS K 4 -1.242 -4.355 -14.367 1.00 0.00 C ATOM 699 NE2 HIS K 4 -0.212 -4.471 -15.210 1.00 0.00 N ATOM 0 H HIS K 4 1.932 -2.111 -11.501 1.00 0.00 H new ATOM 0 HA HIS K 4 2.340 -1.073 -14.284 1.00 0.00 H new ATOM 0 HB2 HIS K 4 -0.184 -0.964 -12.574 1.00 0.00 H new ATOM 0 HB3 HIS K 4 -0.001 -0.338 -14.200 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.441 -3.066 -15.582 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -2.015 -5.100 -14.251 1.00 0.00 H new ATOM 706 N LEU K 5 2.888 1.218 -13.417 1.00 0.00 N ATOM 707 CA LEU K 5 3.330 2.522 -12.891 1.00 0.00 C ATOM 708 C LEU K 5 3.032 3.627 -13.887 1.00 0.00 C ATOM 709 O LEU K 5 3.451 3.555 -15.043 1.00 0.00 O ATOM 710 CB LEU K 5 4.841 2.440 -12.655 1.00 0.00 C ATOM 711 CG LEU K 5 5.114 1.618 -11.377 1.00 0.00 C ATOM 712 CD1 LEU K 5 6.457 0.891 -11.480 1.00 0.00 C ATOM 713 CD2 LEU K 5 5.162 2.553 -10.163 1.00 0.00 C ATOM 0 H LEU K 5 3.118 1.062 -14.398 1.00 0.00 H new ATOM 0 HA LEU K 5 2.802 2.748 -11.965 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.330 1.975 -13.511 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.260 3.441 -12.554 1.00 0.00 H new ATOM 0 HG LEU K 5 4.313 0.888 -11.264 1.00 0.00 H new ATOM 0 HD11 LEU K 5 6.631 0.317 -10.570 1.00 0.00 H new ATOM 0 HD12 LEU K 5 6.441 0.217 -12.336 1.00 0.00 H new ATOM 0 HD13 LEU K 5 7.257 1.620 -11.608 1.00 0.00 H new ATOM 0 HD21 LEU K 5 5.355 1.970 -9.262 1.00 0.00 H new ATOM 0 HD22 LEU K 5 5.958 3.285 -10.299 1.00 0.00 H new ATOM 0 HD23 LEU K 5 4.207 3.069 -10.064 1.00 0.00 H new ATOM 725 N GLN K 6 2.339 4.662 -13.429 1.00 0.00 N ATOM 726 CA GLN K 6 2.027 5.797 -14.291 1.00 0.00 C ATOM 727 C GLN K 6 2.525 7.071 -13.632 1.00 0.00 C ATOM 728 O GLN K 6 2.001 7.495 -12.603 1.00 0.00 O ATOM 729 CB GLN K 6 0.516 5.873 -14.526 1.00 0.00 C ATOM 730 CG GLN K 6 0.208 6.980 -15.538 1.00 0.00 C ATOM 731 CD GLN K 6 -1.302 7.134 -15.718 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.019 7.459 -14.772 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.830 6.915 -16.890 1.00 0.00 N ATOM 0 H GLN K 6 1.985 4.740 -12.476 1.00 0.00 H new ATOM 0 HA GLN K 6 2.520 5.674 -15.256 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.147 4.916 -14.895 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.001 6.072 -13.586 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.638 7.922 -15.198 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.673 6.745 -16.496 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.236 6.646 -17.675 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.837 7.013 -17.022 1.00 0.00 H new ATOM 742 N ILE K 7 3.555 7.674 -14.224 1.00 0.00 N ATOM 743 CA ILE K 7 4.134 8.899 -13.676 1.00 0.00 C ATOM 744 C ILE K 7 4.463 9.873 -14.806 1.00 0.00 C ATOM 745 O ILE K 7 5.545 10.436 -14.784 1.00 0.00 O ATOM 746 CB ILE K 7 5.418 8.571 -12.884 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.239 7.240 -12.150 1.00 0.00 C ATOM 748 CG2 ILE K 7 5.684 9.696 -11.878 1.00 0.00 C ATOM 749 CD1 ILE K 7 6.501 6.921 -11.353 1.00 0.00 C ATOM 750 OXT ILE K 7 3.626 10.040 -15.679 1.00 0.00 O ATOM 0 H ILE K 7 4.003 7.337 -15.076 1.00 0.00 H new ATOM 0 HA ILE K 7 3.408 9.359 -13.005 1.00 0.00 H new ATOM 0 HB ILE K 7 6.265 8.487 -13.565 1.00 0.00 H new ATOM 0 HG12 ILE K 7 4.379 7.294 -11.482 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.037 6.443 -12.866 1.00 0.00 H new ATOM 0 HG21 ILE K 7 6.589 9.473 -11.314 1.00 0.00 H new ATOM 0 HG22 ILE K 7 5.812 10.638 -12.411 1.00 0.00 H new ATOM 0 HG23 ILE K 7 4.840 9.778 -11.193 1.00 0.00 H new ATOM 0 HD11 ILE K 7 6.372 5.973 -10.831 1.00 0.00 H new ATOM 0 HD12 ILE K 7 7.351 6.849 -12.031 1.00 0.00 H new ATOM 0 HD13 ILE K 7 6.683 7.713 -10.627 1.00 0.00 H new TER 762 ILE K 7 ATOM 763 N ILE O 1 -4.110 11.147 13.031 1.00 0.00 N ATOM 764 CA ILE O 1 -4.745 9.869 13.457 1.00 0.00 C ATOM 765 C ILE O 1 -3.761 8.724 13.245 1.00 0.00 C ATOM 766 O ILE O 1 -3.154 8.601 12.174 1.00 0.00 O ATOM 767 CB ILE O 1 -6.011 9.622 12.623 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.993 10.773 12.844 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.668 8.311 13.061 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.132 10.676 11.827 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.507 11.933 13.584 1.00 0.00 H new ATOM 0 H2 ILE O 1 -3.084 11.095 13.191 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.295 11.306 12.020 1.00 0.00 H new ATOM 0 HA ILE O 1 -5.015 9.928 14.511 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.743 9.560 11.568 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.392 10.735 13.858 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.479 11.728 12.740 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.566 8.138 12.468 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -5.970 7.487 12.912 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.936 8.373 14.116 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.832 11.497 11.985 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.725 10.736 10.818 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.652 9.726 11.953 1.00 0.00 H new ATOM 784 N HIS O 2 -3.619 7.870 14.260 1.00 0.00 N ATOM 785 CA HIS O 2 -2.741 6.734 14.162 1.00 0.00 C ATOM 786 C HIS O 2 -3.596 5.478 14.179 1.00 0.00 C ATOM 787 O HIS O 2 -4.345 5.249 15.131 1.00 0.00 O ATOM 788 CB HIS O 2 -1.820 6.757 15.402 1.00 0.00 C ATOM 789 CG HIS O 2 -1.142 5.429 15.596 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.844 4.903 16.860 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.682 4.518 14.694 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.233 3.724 16.671 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.103 3.436 15.376 1.00 0.00 N ATOM 0 H HIS O 2 -4.106 7.955 15.152 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.145 6.757 13.250 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.069 7.539 15.287 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.404 7.004 16.289 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.053 5.337 17.759 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.752 4.613 13.620 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.112 3.086 17.471 1.00 0.00 H new ATOM 800 N VAL O 3 -3.469 4.651 13.144 1.00 0.00 N ATOM 801 CA VAL O 3 -4.226 3.403 13.084 1.00 0.00 C ATOM 802 C VAL O 3 -3.273 2.219 13.061 1.00 0.00 C ATOM 803 O VAL O 3 -2.454 2.108 12.147 1.00 0.00 O ATOM 804 CB VAL O 3 -5.096 3.384 11.823 1.00 0.00 C ATOM 805 CG1 VAL O 3 -5.955 2.115 11.806 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.002 4.622 11.800 1.00 0.00 C ATOM 0 H VAL O 3 -2.857 4.819 12.345 1.00 0.00 H new ATOM 0 HA VAL O 3 -4.864 3.333 13.965 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.452 3.394 10.943 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.572 2.105 10.908 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.308 1.238 11.811 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.596 2.098 12.687 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -6.619 4.605 10.902 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.644 4.620 12.681 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.388 5.522 11.801 1.00 0.00 H new ATOM 816 N HIS O 4 -3.411 1.311 14.023 1.00 0.00 N ATOM 817 CA HIS O 4 -2.599 0.127 14.051 1.00 0.00 C ATOM 818 C HIS O 4 -3.481 -1.108 13.930 1.00 0.00 C ATOM 819 O HIS O 4 -4.471 -1.245 14.649 1.00 0.00 O ATOM 820 CB HIS O 4 -1.777 0.137 15.352 1.00 0.00 C ATOM 821 CG HIS O 4 -0.547 -0.713 15.192 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.766 -0.203 15.125 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.432 -2.054 15.096 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.590 -1.255 14.992 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.913 -2.408 14.972 1.00 0.00 N ATOM 0 H HIS O 4 -4.082 1.384 14.788 1.00 0.00 H new ATOM 0 HA HIS O 4 -1.909 0.105 13.208 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.492 1.159 15.604 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.383 -0.238 16.177 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.258 -2.750 15.113 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.664 -1.179 14.911 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.298 -3.348 14.885 1.00 0.00 H new ATOM 833 N LEU O 5 -3.125 -2.007 13.010 1.00 0.00 N ATOM 834 CA LEU O 5 -3.903 -3.229 12.796 1.00 0.00 C ATOM 835 C LEU O 5 -2.990 -4.427 12.568 1.00 0.00 C ATOM 836 O LEU O 5 -2.244 -4.485 11.583 1.00 0.00 O ATOM 837 CB LEU O 5 -4.827 -3.019 11.585 1.00 0.00 C ATOM 838 CG LEU O 5 -6.119 -2.289 12.015 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.700 -1.527 10.820 1.00 0.00 C ATOM 840 CD2 LEU O 5 -7.157 -3.321 12.491 1.00 0.00 C ATOM 0 H LEU O 5 -2.309 -1.913 12.405 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.498 -3.437 13.685 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -4.310 -2.438 10.821 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -5.077 -3.982 11.139 1.00 0.00 H new ATOM 0 HG LEU O 5 -5.885 -1.594 12.822 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -7.611 -1.013 11.125 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.972 -0.797 10.465 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -6.930 -2.229 10.018 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -8.069 -2.807 12.795 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -7.383 -4.011 11.678 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.755 -3.877 13.338 1.00 0.00 H new ATOM 852 N GLN O 6 -3.081 -5.399 13.474 1.00 0.00 N ATOM 853 CA GLN O 6 -2.289 -6.621 13.367 1.00 0.00 C ATOM 854 C GLN O 6 -3.230 -7.805 13.181 1.00 0.00 C ATOM 855 O GLN O 6 -3.907 -8.227 14.120 1.00 0.00 O ATOM 856 CB GLN O 6 -1.450 -6.809 14.631 1.00 0.00 C ATOM 857 CG GLN O 6 -0.532 -8.016 14.452 1.00 0.00 C ATOM 858 CD GLN O 6 0.247 -8.277 15.734 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.332 -8.320 16.820 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.539 -8.444 15.669 1.00 0.00 N ATOM 0 H GLN O 6 -3.694 -5.364 14.288 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.617 -6.552 12.512 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -0.859 -5.914 14.826 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.099 -6.956 15.494 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.121 -8.895 14.190 1.00 0.00 H new ATOM 0 HG3 GLN O 6 0.159 -7.838 13.628 1.00 0.00 H new ATOM 0 HE21 GLN O 6 2.013 -8.407 14.767 1.00 0.00 H new ATOM 0 HE22 GLN O 6 2.075 -8.611 16.520 1.00 0.00 H new ATOM 869 N ILE O 7 -3.275 -8.332 11.959 1.00 0.00 N ATOM 870 CA ILE O 7 -4.148 -9.464 11.650 1.00 0.00 C ATOM 871 C ILE O 7 -3.521 -10.343 10.577 1.00 0.00 C ATOM 872 O ILE O 7 -4.264 -10.989 9.858 1.00 0.00 O ATOM 873 CB ILE O 7 -5.524 -8.949 11.188 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.359 -8.087 9.934 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.163 -8.119 12.301 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.732 -7.606 9.460 1.00 0.00 C ATOM 877 OXT ILE O 7 -2.305 -10.366 10.498 1.00 0.00 O ATOM 0 H ILE O 7 -2.721 -7.996 11.171 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.279 -10.066 12.549 1.00 0.00 H new ATOM 0 HB ILE O 7 -6.166 -9.799 10.958 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -4.717 -7.233 10.149 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.872 -8.662 9.146 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -7.136 -7.756 11.971 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.288 -8.737 13.190 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -5.520 -7.271 12.537 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -6.614 -6.992 8.567 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -7.359 -8.467 9.228 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.202 -7.016 10.247 1.00 0.00 H new TER 889 ILE O 7 ATOM 890 N ILE Q 1 -1.492 11.451 8.957 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.148 10.168 9.340 1.00 0.00 C ATOM 892 C ILE Q 1 -1.185 9.017 9.076 1.00 0.00 C ATOM 893 O ILE Q 1 -0.666 8.858 7.961 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.443 9.989 8.527 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.415 11.110 8.917 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -4.072 8.639 8.856 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.591 11.138 7.946 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.833 12.214 9.576 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.461 11.358 9.059 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.723 11.678 7.969 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.403 10.180 10.400 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.224 10.030 7.460 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.775 10.954 9.934 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.900 12.070 8.906 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.989 8.514 8.279 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.374 7.841 8.604 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.304 8.595 9.920 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -6.277 11.936 8.229 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -5.224 11.316 6.935 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -6.113 10.182 7.979 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.940 8.206 10.109 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.039 7.060 9.962 1.00 0.00 C ATOM 913 C HIS Q 2 -0.857 5.778 10.043 1.00 0.00 C ATOM 914 O HIS Q 2 -1.549 5.544 11.034 1.00 0.00 O ATOM 915 CB HIS Q 2 1.005 7.066 11.105 1.00 0.00 C ATOM 916 CG HIS Q 2 2.199 7.916 10.745 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.472 7.378 10.609 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.340 9.266 10.516 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.311 8.388 10.312 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.674 9.559 10.243 1.00 0.00 N ATOM 0 H HIS Q 2 -1.344 8.318 11.039 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.475 7.120 9.003 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.547 7.445 12.018 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.329 6.046 11.311 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.538 9.989 10.544 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.372 8.266 10.149 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.078 10.472 10.035 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.748 4.930 9.018 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.461 3.654 9.018 1.00 0.00 C ATOM 930 C VAL Q 3 -0.464 2.501 9.039 1.00 0.00 C ATOM 931 O VAL Q 3 0.404 2.417 8.166 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.341 3.551 7.775 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.112 2.233 7.817 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.323 4.726 7.742 1.00 0.00 C ATOM 0 H VAL Q 3 -0.180 5.102 8.188 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.089 3.599 9.907 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.720 3.582 6.880 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.743 2.152 6.932 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.409 1.401 7.838 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.735 2.204 8.711 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -3.950 4.651 6.854 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -3.951 4.701 8.633 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.768 5.664 7.716 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.599 1.596 10.011 1.00 0.00 N ATOM 945 CA HIS Q 4 0.296 0.430 10.090 1.00 0.00 C ATOM 946 C HIS Q 4 -0.549 -0.843 9.938 1.00 0.00 C ATOM 947 O HIS Q 4 -1.553 -1.012 10.636 1.00 0.00 O ATOM 948 CB HIS Q 4 1.056 0.448 11.446 1.00 0.00 C ATOM 949 CG HIS Q 4 1.813 1.771 11.660 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.840 2.435 12.897 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.571 2.566 10.813 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.575 3.554 12.750 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.044 3.688 11.505 1.00 0.00 N ATOM 0 H HIS Q 4 -1.306 1.642 10.745 1.00 0.00 H new ATOM 0 HA HIS Q 4 1.038 0.458 9.292 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.348 0.298 12.261 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.760 -0.383 11.479 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.768 2.351 9.773 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.764 4.260 13.545 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.151 -1.728 9.017 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.903 -2.971 8.763 1.00 0.00 C ATOM 962 C LEU Q 5 0.040 -4.153 8.616 1.00 0.00 C ATOM 963 O LEU Q 5 0.967 -4.128 7.793 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.692 -2.773 7.467 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.930 -1.888 7.748 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -3.227 -0.984 6.549 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -4.154 -2.773 8.007 1.00 0.00 C ATOM 0 H LEU Q 5 0.680 -1.612 8.437 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.570 -3.181 9.599 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -1.061 -2.305 6.712 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.004 -3.738 7.068 1.00 0.00 H new ATOM 0 HG LEU Q 5 -2.718 -1.274 8.623 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -4.101 -0.369 6.765 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -2.369 -0.340 6.357 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -3.424 -1.598 5.670 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -5.022 -2.144 8.204 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -4.346 -3.393 7.132 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -3.965 -3.412 8.870 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.217 -5.201 9.392 1.00 0.00 N ATOM 980 CA GLN Q 6 0.599 -6.407 9.318 1.00 0.00 C ATOM 981 C GLN Q 6 -0.307 -7.602 9.071 1.00 0.00 C ATOM 982 O GLN Q 6 -1.140 -7.948 9.912 1.00 0.00 O ATOM 983 CB GLN Q 6 1.379 -6.588 10.618 1.00 0.00 C ATOM 984 CG GLN Q 6 2.327 -7.778 10.482 1.00 0.00 C ATOM 985 CD GLN Q 6 3.046 -8.027 11.801 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.407 -8.285 12.823 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.348 -7.965 11.838 1.00 0.00 N ATOM 0 H GLN Q 6 -0.976 -5.240 10.073 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.313 -6.321 8.499 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.944 -5.684 10.845 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.691 -6.750 11.448 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.768 -8.667 10.190 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 3.054 -7.585 9.693 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.873 -7.751 10.990 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.842 -8.130 12.715 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.148 -8.225 7.904 1.00 0.00 N ATOM 997 CA ILE Q 7 -0.972 -9.377 7.543 1.00 0.00 C ATOM 998 C ILE Q 7 -0.140 -10.386 6.755 1.00 0.00 C ATOM 999 O ILE Q 7 -0.607 -10.830 5.718 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.177 -8.922 6.695 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.699 -7.575 7.212 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.278 -9.972 6.784 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.861 -7.106 6.336 1.00 0.00 C ATOM 1004 OXT ILE Q 7 0.953 -10.698 7.198 1.00 0.00 O ATOM 0 H ILE Q 7 0.537 -7.955 7.198 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.337 -9.848 8.456 1.00 0.00 H new ATOM 0 HB ILE Q 7 -1.868 -8.805 5.656 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -3.027 -7.673 8.247 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -1.899 -6.835 7.200 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -4.132 -9.655 6.186 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -2.904 -10.924 6.407 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -3.586 -10.089 7.823 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -4.231 -6.149 6.704 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -3.518 -6.991 5.308 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -4.663 -7.843 6.371 1.00 0.00 H new TER 1016 ILE Q 7 ATOM 1017 N ILE S 1 1.295 11.497 4.861 1.00 0.00 N ATOM 1018 CA ILE S 1 0.687 10.194 5.257 1.00 0.00 C ATOM 1019 C ILE S 1 1.732 9.091 5.123 1.00 0.00 C ATOM 1020 O ILE S 1 2.391 8.969 4.081 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.505 9.891 4.338 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.550 10.998 4.480 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -1.136 8.551 4.728 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.619 10.833 3.398 1.00 0.00 C ATOM 0 H1 ILE S 1 0.794 12.273 5.339 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.298 11.510 5.136 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.217 11.618 3.831 1.00 0.00 H new ATOM 0 HA ILE S 1 0.344 10.245 6.290 1.00 0.00 H new ATOM 0 HB ILE S 1 -0.157 9.840 3.306 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -2.008 10.956 5.468 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -1.075 11.975 4.391 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.981 8.342 4.072 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.395 7.758 4.629 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.481 8.598 5.761 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -3.364 11.622 3.499 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -2.154 10.897 2.414 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -3.102 9.862 3.509 1.00 0.00 H new ATOM 1038 N HIS S 2 1.863 8.263 6.165 1.00 0.00 N ATOM 1039 CA HIS S 2 2.799 7.161 6.123 1.00 0.00 C ATOM 1040 C HIS S 2 2.003 5.868 6.105 1.00 0.00 C ATOM 1041 O HIS S 2 1.218 5.614 7.019 1.00 0.00 O ATOM 1042 CB HIS S 2 3.666 7.209 7.401 1.00 0.00 C ATOM 1043 CG HIS S 2 4.405 5.907 7.588 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.654 5.319 8.843 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.975 5.074 6.673 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.344 4.194 8.629 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.571 3.989 7.334 1.00 0.00 N ATOM 0 H HIS S 2 1.334 8.342 7.034 1.00 0.00 H new ATOM 0 HA HIS S 2 3.436 7.222 5.241 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.378 8.032 7.334 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.035 7.404 8.268 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.969 5.225 5.604 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.677 3.531 9.414 1.00 0.00 H new ATOM 1054 N VAL S 3 2.226 5.038 5.090 1.00 0.00 N ATOM 1055 CA VAL S 3 1.535 3.755 5.006 1.00 0.00 C ATOM 1056 C VAL S 3 2.544 2.621 5.052 1.00 0.00 C ATOM 1057 O VAL S 3 3.408 2.532 4.178 1.00 0.00 O ATOM 1058 CB VAL S 3 0.746 3.678 3.699 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.045 2.367 3.640 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.218 4.864 3.615 1.00 0.00 C ATOM 0 H VAL S 3 2.871 5.227 4.323 1.00 0.00 H new ATOM 0 HA VAL S 3 0.851 3.665 5.850 1.00 0.00 H new ATOM 0 HB VAL S 3 1.440 3.712 2.859 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.604 2.321 2.705 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.644 1.524 3.693 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.738 2.322 4.480 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -0.781 4.810 2.683 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -0.908 4.833 4.458 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.348 5.795 3.644 1.00 0.00 H new ATOM 1070 N HIS S 4 2.402 1.723 6.021 1.00 0.00 N ATOM 1071 CA HIS S 4 3.263 0.580 6.102 1.00 0.00 C ATOM 1072 C HIS S 4 2.444 -0.694 5.964 1.00 0.00 C ATOM 1073 O HIS S 4 1.429 -0.867 6.645 1.00 0.00 O ATOM 1074 CB HIS S 4 4.035 0.646 7.431 1.00 0.00 C ATOM 1075 CG HIS S 4 5.303 -0.157 7.328 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.596 0.403 7.263 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.474 -1.494 7.300 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.465 -0.618 7.204 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.837 -1.798 7.226 1.00 0.00 N ATOM 0 H HIS S 4 1.695 1.777 6.754 1.00 0.00 H new ATOM 0 HA HIS S 4 3.987 0.577 5.288 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.269 1.682 7.674 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.415 0.261 8.241 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.677 -2.222 7.330 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.537 -0.501 7.146 1.00 0.00 H new ATOM 0 HE2 HIS S 4 7.262 -2.725 7.195 1.00 0.00 H new ATOM 1087 N LEU S 5 2.880 -1.581 5.072 1.00 0.00 N ATOM 1088 CA LEU S 5 2.170 -2.836 4.835 1.00 0.00 C ATOM 1089 C LEU S 5 3.140 -3.999 4.685 1.00 0.00 C ATOM 1090 O LEU S 5 3.921 -4.062 3.726 1.00 0.00 O ATOM 1091 CB LEU S 5 1.318 -2.681 3.563 1.00 0.00 C ATOM 1092 CG LEU S 5 -0.050 -2.056 3.912 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.597 -1.298 2.700 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -1.037 -3.173 4.282 1.00 0.00 C ATOM 0 H LEU S 5 3.718 -1.455 4.504 1.00 0.00 H new ATOM 0 HA LEU S 5 1.531 -3.055 5.691 1.00 0.00 H new ATOM 0 HB2 LEU S 5 1.840 -2.053 2.841 1.00 0.00 H new ATOM 0 HB3 LEU S 5 1.173 -3.654 3.093 1.00 0.00 H new ATOM 0 HG LEU S 5 0.073 -1.369 4.750 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -1.562 -0.859 2.951 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.100 -0.508 2.420 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.718 -1.987 1.864 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -2.005 -2.736 4.529 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -1.151 -3.853 3.437 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -0.657 -3.724 5.142 1.00 0.00 H new ATOM 1106 N GLN S 6 3.058 -4.941 5.625 1.00 0.00 N ATOM 1107 CA GLN S 6 3.909 -6.129 5.583 1.00 0.00 C ATOM 1108 C GLN S 6 3.039 -7.357 5.370 1.00 0.00 C ATOM 1109 O GLN S 6 2.321 -7.784 6.277 1.00 0.00 O ATOM 1110 CB GLN S 6 4.689 -6.257 6.889 1.00 0.00 C ATOM 1111 CG GLN S 6 5.668 -7.425 6.781 1.00 0.00 C ATOM 1112 CD GLN S 6 6.393 -7.629 8.104 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.768 -7.641 9.169 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.688 -7.788 8.095 1.00 0.00 N ATOM 0 H GLN S 6 2.417 -4.905 6.418 1.00 0.00 H new ATOM 0 HA GLN S 6 4.620 -6.042 4.761 1.00 0.00 H new ATOM 0 HB2 GLN S 6 5.229 -5.333 7.095 1.00 0.00 H new ATOM 0 HB3 GLN S 6 4.003 -6.418 7.721 1.00 0.00 H new ATOM 0 HG2 GLN S 6 5.132 -8.334 6.508 1.00 0.00 H new ATOM 0 HG3 GLN S 6 6.391 -7.231 5.988 1.00 0.00 H new ATOM 0 HE21 GLN S 6 8.197 -7.777 7.211 1.00 0.00 H new ATOM 0 HE22 GLN S 6 8.191 -7.923 8.972 1.00 0.00 H new ATOM 1123 N ILE S 7 3.100 -7.917 4.161 1.00 0.00 N ATOM 1124 CA ILE S 7 2.298 -9.092 3.826 1.00 0.00 C ATOM 1125 C ILE S 7 3.013 -9.955 2.798 1.00 0.00 C ATOM 1126 O ILE S 7 2.336 -10.669 2.078 1.00 0.00 O ATOM 1127 CB ILE S 7 0.931 -8.640 3.288 1.00 0.00 C ATOM 1128 CG1 ILE S 7 1.116 -7.825 2.006 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.228 -7.776 4.330 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.246 -7.332 1.502 1.00 0.00 C ATOM 1131 OXT ILE S 7 4.230 -9.899 2.755 1.00 0.00 O ATOM 0 H ILE S 7 3.692 -7.578 3.403 1.00 0.00 H new ATOM 0 HA ILE S 7 2.152 -9.691 4.725 1.00 0.00 H new ATOM 0 HB ILE S 7 0.329 -9.523 3.074 1.00 0.00 H new ATOM 0 HG12 ILE S 7 1.773 -6.976 2.196 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.597 -8.436 1.242 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.741 -7.457 3.945 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.084 -8.353 5.243 1.00 0.00 H new ATOM 0 HG23 ILE S 7 0.838 -6.899 4.547 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.108 -6.752 0.589 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -0.889 -8.188 1.295 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.710 -6.705 2.263 1.00 0.00 H new TER 1143 ILE S 7 ATOM 1144 N ILE U 1 3.895 11.728 0.746 1.00 0.00 N ATOM 1145 CA ILE U 1 3.278 10.417 1.094 1.00 0.00 C ATOM 1146 C ILE U 1 4.305 9.309 0.894 1.00 0.00 C ATOM 1147 O ILE U 1 4.861 9.143 -0.201 1.00 0.00 O ATOM 1148 CB ILE U 1 2.055 10.175 0.198 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.013 11.258 0.493 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.459 8.807 0.500 1.00 0.00 C ATOM 1151 CD1 ILE U 1 -0.095 11.199 -0.552 1.00 0.00 C ATOM 0 H1 ILE U 1 3.401 12.490 1.253 1.00 0.00 H new ATOM 0 H2 ILE U 1 4.898 11.723 1.020 1.00 0.00 H new ATOM 0 H3 ILE U 1 3.817 11.887 -0.279 1.00 0.00 H new ATOM 0 HA ILE U 1 2.958 10.422 2.136 1.00 0.00 H new ATOM 0 HB ILE U 1 2.351 10.211 -0.850 1.00 0.00 H new ATOM 0 HG12 ILE U 1 0.595 11.113 1.489 1.00 0.00 H new ATOM 0 HG13 ILE U 1 1.483 12.241 0.484 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.591 8.639 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.205 8.035 0.309 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.154 8.766 1.546 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.836 11.970 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.329 11.365 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.572 10.219 -0.521 1.00 0.00 H new ATOM 1165 N HIS U 2 4.557 8.538 1.957 1.00 0.00 N ATOM 1166 CA HIS U 2 5.515 7.433 1.867 1.00 0.00 C ATOM 1167 C HIS U 2 4.757 6.115 1.944 1.00 0.00 C ATOM 1168 O HIS U 2 4.034 5.869 2.910 1.00 0.00 O ATOM 1169 CB HIS U 2 6.518 7.512 3.042 1.00 0.00 C ATOM 1170 CG HIS U 2 7.688 8.401 2.698 1.00 0.00 C ATOM 1171 ND1 HIS U 2 8.986 7.911 2.613 1.00 0.00 N ATOM 1172 CD2 HIS U 2 7.779 9.748 2.440 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.790 8.950 2.317 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.106 10.091 2.201 1.00 0.00 N ATOM 0 H HIS U 2 4.121 8.655 2.872 1.00 0.00 H new ATOM 0 HA HIS U 2 6.059 7.498 0.925 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.014 7.896 3.929 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.876 6.512 3.286 1.00 0.00 H new ATOM 0 HD2 HIS U 2 6.947 10.436 2.425 1.00 0.00 H new ATOM 0 HE1 HIS U 2 10.859 8.870 2.189 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.477 11.016 1.984 1.00 0.00 H new ATOM 1182 N VAL U 3 4.948 5.256 0.942 1.00 0.00 N ATOM 1183 CA VAL U 3 4.295 3.948 0.934 1.00 0.00 C ATOM 1184 C VAL U 3 5.342 2.844 1.024 1.00 0.00 C ATOM 1185 O VAL U 3 6.253 2.786 0.193 1.00 0.00 O ATOM 1186 CB VAL U 3 3.491 3.784 -0.351 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.784 2.431 -0.330 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.454 4.907 -0.461 1.00 0.00 C ATOM 0 H VAL U 3 5.543 5.440 0.134 1.00 0.00 H new ATOM 0 HA VAL U 3 3.627 3.879 1.792 1.00 0.00 H new ATOM 0 HB VAL U 3 4.161 3.834 -1.209 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.207 2.308 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.525 1.635 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.115 2.383 0.529 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.882 4.785 -1.381 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.779 4.864 0.394 1.00 0.00 H new ATOM 0 HG23 VAL U 3 2.962 5.871 -0.474 1.00 0.00 H new ATOM 1198 N HIS U 4 5.205 1.951 2.005 1.00 0.00 N ATOM 1199 CA HIS U 4 6.150 0.832 2.147 1.00 0.00 C ATOM 1200 C HIS U 4 5.378 -0.484 1.985 1.00 0.00 C ATOM 1201 O HIS U 4 4.350 -0.687 2.638 1.00 0.00 O ATOM 1202 CB HIS U 4 6.852 0.911 3.534 1.00 0.00 C ATOM 1203 CG HIS U 4 7.547 2.268 3.737 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.520 2.964 4.958 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.280 3.077 2.883 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.199 4.114 4.791 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.683 4.236 3.551 1.00 0.00 N ATOM 0 H HIS U 4 4.463 1.975 2.705 1.00 0.00 H new ATOM 0 HA HIS U 4 6.923 0.884 1.380 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.118 0.755 4.324 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.585 0.109 3.618 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.506 2.845 1.853 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.337 4.852 5.568 1.00 0.00 H new ATOM 1214 N LEU U 5 5.861 -1.364 1.099 1.00 0.00 N ATOM 1215 CA LEU U 5 5.183 -2.646 0.836 1.00 0.00 C ATOM 1216 C LEU U 5 6.186 -3.784 0.762 1.00 0.00 C ATOM 1217 O LEU U 5 7.151 -3.729 -0.014 1.00 0.00 O ATOM 1218 CB LEU U 5 4.451 -2.519 -0.504 1.00 0.00 C ATOM 1219 CG LEU U 5 3.174 -1.669 -0.311 1.00 0.00 C ATOM 1220 CD1 LEU U 5 2.867 -0.854 -1.572 1.00 0.00 C ATOM 1221 CD2 LEU U 5 1.982 -2.587 -0.023 1.00 0.00 C ATOM 0 H LEU U 5 6.711 -1.217 0.555 1.00 0.00 H new ATOM 0 HA LEU U 5 4.486 -2.867 1.644 1.00 0.00 H new ATOM 0 HB2 LEU U 5 5.102 -2.055 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU U 5 4.190 -3.507 -0.884 1.00 0.00 H new ATOM 0 HG LEU U 5 3.342 -0.990 0.525 1.00 0.00 H new ATOM 0 HD11 LEU U 5 1.964 -0.264 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU U 5 3.703 -0.188 -1.787 1.00 0.00 H new ATOM 0 HD13 LEU U 5 2.715 -1.530 -2.414 1.00 0.00 H new ATOM 0 HD21 LEU U 5 1.084 -1.985 0.113 1.00 0.00 H new ATOM 0 HD22 LEU U 5 1.838 -3.270 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU U 5 2.175 -3.160 0.884 1.00 0.00 H new ATOM 1233 N GLN U 6 5.940 -4.830 1.545 1.00 0.00 N ATOM 1234 CA GLN U 6 6.816 -5.997 1.535 1.00 0.00 C ATOM 1235 C GLN U 6 5.985 -7.243 1.271 1.00 0.00 C ATOM 1236 O GLN U 6 5.150 -7.629 2.089 1.00 0.00 O ATOM 1237 CB GLN U 6 7.542 -6.109 2.874 1.00 0.00 C ATOM 1238 CG GLN U 6 8.557 -7.251 2.810 1.00 0.00 C ATOM 1239 CD GLN U 6 9.228 -7.434 4.167 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.558 -7.692 5.172 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.525 -7.316 4.251 1.00 0.00 N ATOM 0 H GLN U 6 5.151 -4.894 2.188 1.00 0.00 H new ATOM 0 HA GLN U 6 7.562 -5.894 0.747 1.00 0.00 H new ATOM 0 HB2 GLN U 6 8.048 -5.171 3.105 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.825 -6.290 3.675 1.00 0.00 H new ATOM 0 HG2 GLN U 6 8.059 -8.174 2.515 1.00 0.00 H new ATOM 0 HG3 GLN U 6 9.309 -7.037 2.050 1.00 0.00 H new ATOM 0 HE21 GLN U 6 11.073 -7.103 3.417 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.991 -7.437 5.150 1.00 0.00 H new ATOM 1250 N ILE U 7 6.212 -7.866 0.114 1.00 0.00 N ATOM 1251 CA ILE U 7 5.466 -9.067 -0.258 1.00 0.00 C ATOM 1252 C ILE U 7 6.382 -10.042 -0.997 1.00 0.00 C ATOM 1253 O ILE U 7 5.972 -10.545 -2.030 1.00 0.00 O ATOM 1254 CB ILE U 7 4.268 -8.695 -1.157 1.00 0.00 C ATOM 1255 CG1 ILE U 7 3.686 -7.347 -0.713 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.206 -9.785 -1.058 1.00 0.00 C ATOM 1257 CD1 ILE U 7 2.531 -6.959 -1.635 1.00 0.00 C ATOM 1258 OXT ILE U 7 7.481 -10.268 -0.518 1.00 0.00 O ATOM 0 H ILE U 7 6.900 -7.562 -0.575 1.00 0.00 H new ATOM 0 HA ILE U 7 5.093 -9.542 0.650 1.00 0.00 H new ATOM 0 HB ILE U 7 4.599 -8.610 -2.192 1.00 0.00 H new ATOM 0 HG12 ILE U 7 3.336 -7.412 0.317 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.459 -6.579 -0.739 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.358 -9.525 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE U 7 3.628 -10.735 -1.387 1.00 0.00 H new ATOM 0 HG23 ILE U 7 2.872 -9.875 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE U 7 2.119 -6.001 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE U 7 2.895 -6.877 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE U 7 1.754 -7.722 -1.586 1.00 0.00 H new TER 1270 ILE U 7 ATOM 1271 N ILE W 1 6.744 11.719 -3.344 1.00 0.00 N ATOM 1272 CA ILE W 1 6.164 10.405 -2.946 1.00 0.00 C ATOM 1273 C ILE W 1 7.249 9.338 -3.016 1.00 0.00 C ATOM 1274 O ILE W 1 7.939 9.210 -4.034 1.00 0.00 O ATOM 1275 CB ILE W 1 5.025 10.042 -3.908 1.00 0.00 C ATOM 1276 CG1 ILE W 1 3.933 11.111 -3.829 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.431 8.686 -3.519 1.00 0.00 C ATOM 1278 CD1 ILE W 1 2.923 10.891 -4.957 1.00 0.00 C ATOM 0 H1 ILE W 1 6.416 12.456 -2.688 1.00 0.00 H new ATOM 0 H2 ILE W 1 7.782 11.664 -3.313 1.00 0.00 H new ATOM 0 H3 ILE W 1 6.439 11.955 -4.310 1.00 0.00 H new ATOM 0 HA ILE W 1 5.776 10.465 -1.929 1.00 0.00 H new ATOM 0 HB ILE W 1 5.416 9.988 -4.924 1.00 0.00 H new ATOM 0 HG12 ILE W 1 3.431 11.063 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE W 1 4.375 12.104 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE W 1 3.623 8.433 -4.205 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.205 7.921 -3.572 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.041 8.738 -2.502 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.144 11.652 -4.902 1.00 0.00 H new ATOM 0 HD12 ILE W 1 3.431 10.961 -5.919 1.00 0.00 H new ATOM 0 HD13 ILE W 1 2.473 9.903 -4.855 1.00 0.00 H new ATOM 1292 N HIS W 2 7.384 8.546 -1.948 1.00 0.00 N ATOM 1293 CA HIS W 2 8.362 7.480 -1.938 1.00 0.00 C ATOM 1294 C HIS W 2 7.622 6.156 -1.973 1.00 0.00 C ATOM 1295 O HIS W 2 6.808 5.879 -1.090 1.00 0.00 O ATOM 1296 CB HIS W 2 9.180 7.565 -0.628 1.00 0.00 C ATOM 1297 CG HIS W 2 9.994 6.309 -0.447 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.288 5.739 0.804 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.595 5.509 -1.369 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.037 4.648 0.579 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.257 4.460 -0.724 1.00 0.00 N ATOM 0 H HIS W 2 6.831 8.629 -1.095 1.00 0.00 H new ATOM 0 HA HIS W 2 9.029 7.565 -2.796 1.00 0.00 H new ATOM 0 HB2 HIS W 2 9.838 8.434 -0.656 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.510 7.700 0.221 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.565 5.661 -2.438 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.415 4.001 1.357 1.00 0.00 H new ATOM 1308 N VAL W 3 7.924 5.325 -2.966 1.00 0.00 N ATOM 1309 CA VAL W 3 7.292 4.013 -3.062 1.00 0.00 C ATOM 1310 C VAL W 3 8.344 2.926 -2.948 1.00 0.00 C ATOM 1311 O VAL W 3 9.250 2.860 -3.781 1.00 0.00 O ATOM 1312 CB VAL W 3 6.577 3.888 -4.409 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.848 2.542 -4.501 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.567 5.028 -4.555 1.00 0.00 C ATOM 0 H VAL W 3 8.594 5.533 -3.707 1.00 0.00 H new ATOM 0 HA VAL W 3 6.570 3.903 -2.253 1.00 0.00 H new ATOM 0 HB VAL W 3 7.315 3.944 -5.209 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.344 2.466 -5.464 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.569 1.730 -4.404 1.00 0.00 H new ATOM 0 HG13 VAL W 3 5.112 2.471 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL W 3 5.056 4.941 -5.514 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.836 4.972 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL W 3 6.088 5.984 -4.507 1.00 0.00 H new ATOM 1324 N HIS W 4 8.196 2.039 -1.966 1.00 0.00 N ATOM 1325 CA HIS W 4 9.102 0.937 -1.824 1.00 0.00 C ATOM 1326 C HIS W 4 8.344 -0.372 -1.972 1.00 0.00 C ATOM 1327 O HIS W 4 7.312 -0.577 -1.329 1.00 0.00 O ATOM 1328 CB HIS W 4 9.828 1.058 -0.470 1.00 0.00 C ATOM 1329 CG HIS W 4 11.129 0.304 -0.515 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.402 0.911 -0.467 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.354 -1.026 -0.606 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.311 -0.075 -0.531 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.728 -1.276 -0.612 1.00 0.00 N ATOM 0 H HIS W 4 7.455 2.075 -1.266 1.00 0.00 H new ATOM 0 HA HIS W 4 9.860 0.953 -2.608 1.00 0.00 H new ATOM 0 HB2 HIS W 4 10.014 2.107 -0.240 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.197 0.664 0.327 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.586 -1.783 -0.665 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.379 0.082 -0.519 1.00 0.00 H new ATOM 0 HE2 HIS W 4 13.190 -2.184 -0.667 1.00 0.00 H new ATOM 1341 N LEU W 5 8.855 -1.255 -2.832 1.00 0.00 N ATOM 1342 CA LEU W 5 8.212 -2.545 -3.081 1.00 0.00 C ATOM 1343 C LEU W 5 9.239 -3.663 -3.172 1.00 0.00 C ATOM 1344 O LEU W 5 10.050 -3.711 -4.106 1.00 0.00 O ATOM 1345 CB LEU W 5 7.410 -2.448 -4.392 1.00 0.00 C ATOM 1346 CG LEU W 5 6.005 -1.876 -4.115 1.00 0.00 C ATOM 1347 CD1 LEU W 5 5.468 -1.183 -5.369 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.055 -3.025 -3.745 1.00 0.00 C ATOM 0 H LEU W 5 9.710 -1.100 -3.366 1.00 0.00 H new ATOM 0 HA LEU W 5 7.546 -2.780 -2.251 1.00 0.00 H new ATOM 0 HB2 LEU W 5 7.936 -1.811 -5.103 1.00 0.00 H new ATOM 0 HB3 LEU W 5 7.326 -3.434 -4.849 1.00 0.00 H new ATOM 0 HG LEU W 5 6.068 -1.158 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU W 5 4.475 -0.781 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.138 -0.370 -5.651 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.408 -1.903 -6.185 1.00 0.00 H new ATOM 0 HD21 LEU W 5 4.060 -2.625 -3.548 1.00 0.00 H new ATOM 0 HD22 LEU W 5 5.004 -3.735 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.426 -3.531 -2.853 1.00 0.00 H new ATOM 1360 N GLN W 6 9.173 -4.582 -2.213 1.00 0.00 N ATOM 1361 CA GLN W 6 10.079 -5.728 -2.198 1.00 0.00 C ATOM 1362 C GLN W 6 9.285 -7.004 -2.435 1.00 0.00 C ATOM 1363 O GLN W 6 8.572 -7.468 -1.546 1.00 0.00 O ATOM 1364 CB GLN W 6 10.800 -5.797 -0.854 1.00 0.00 C ATOM 1365 CG GLN W 6 11.825 -6.924 -0.895 1.00 0.00 C ATOM 1366 CD GLN W 6 12.509 -7.075 0.457 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.849 -7.064 1.503 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.804 -7.221 0.492 1.00 0.00 N ATOM 0 H GLN W 6 8.507 -4.557 -1.441 1.00 0.00 H new ATOM 0 HA GLN W 6 10.821 -5.618 -2.989 1.00 0.00 H new ATOM 0 HB2 GLN W 6 11.293 -4.848 -0.643 1.00 0.00 H new ATOM 0 HB3 GLN W 6 10.083 -5.970 -0.051 1.00 0.00 H new ATOM 0 HG2 GLN W 6 11.335 -7.859 -1.167 1.00 0.00 H new ATOM 0 HG3 GLN W 6 12.569 -6.718 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN W 6 14.340 -7.229 -0.376 1.00 0.00 H new ATOM 0 HE22 GLN W 6 14.281 -7.327 1.387 1.00 0.00 H new ATOM 1377 N ILE W 7 9.412 -7.561 -3.641 1.00 0.00 N ATOM 1378 CA ILE W 7 8.688 -8.781 -4.000 1.00 0.00 C ATOM 1379 C ILE W 7 9.485 -9.606 -5.004 1.00 0.00 C ATOM 1380 O ILE W 7 8.868 -10.292 -5.802 1.00 0.00 O ATOM 1381 CB ILE W 7 7.321 -8.396 -4.589 1.00 0.00 C ATOM 1382 CG1 ILE W 7 7.513 -7.615 -5.890 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.564 -7.527 -3.593 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.151 -7.154 -6.425 1.00 0.00 C ATOM 1385 OXT ILE W 7 10.703 -9.548 -4.956 1.00 0.00 O ATOM 0 H ILE W 7 10.006 -7.189 -4.382 1.00 0.00 H new ATOM 0 HA ILE W 7 8.544 -9.390 -3.107 1.00 0.00 H new ATOM 0 HB ILE W 7 6.755 -9.305 -4.793 1.00 0.00 H new ATOM 0 HG12 ILE W 7 8.156 -6.753 -5.716 1.00 0.00 H new ATOM 0 HG13 ILE W 7 8.012 -8.240 -6.630 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.595 -7.254 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE W 7 6.416 -8.081 -2.666 1.00 0.00 H new ATOM 0 HG23 ILE W 7 7.138 -6.623 -3.389 1.00 0.00 H new ATOM 0 HD11 ILE W 7 6.293 -6.598 -7.352 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.522 -8.023 -6.616 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.669 -6.512 -5.688 1.00 0.00 H new TER 1397 ILE W 7 ATOM 1398 N ILE Y 1 9.429 11.858 -7.260 1.00 0.00 N ATOM 1399 CA ILE Y 1 8.836 10.516 -6.989 1.00 0.00 C ATOM 1400 C ILE Y 1 9.921 9.457 -7.114 1.00 0.00 C ATOM 1401 O ILE Y 1 10.503 9.282 -8.185 1.00 0.00 O ATOM 1402 CB ILE Y 1 7.713 10.239 -8.003 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 6.609 11.280 -7.807 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.139 8.844 -7.781 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 5.602 11.178 -8.950 1.00 0.00 C ATOM 0 H1 ILE Y 1 8.882 12.587 -6.759 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.414 11.876 -6.928 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.405 12.048 -8.282 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.421 10.491 -5.982 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.112 10.298 -9.015 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.108 11.119 -6.852 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.040 12.281 -7.776 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.345 8.658 -8.504 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 7.927 8.102 -7.909 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 6.734 8.774 -6.771 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 4.816 11.920 -8.810 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.108 11.360 -9.898 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.162 10.181 -8.960 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.178 8.730 -6.024 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.186 7.667 -6.055 1.00 0.00 C ATOM 1421 C HIS Y 2 10.470 6.323 -6.019 1.00 0.00 C ATOM 1422 O HIS Y 2 9.693 6.057 -5.102 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.106 7.779 -4.817 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.271 8.696 -5.091 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.586 8.244 -5.077 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.339 10.040 -5.360 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.378 9.304 -5.329 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 14.669 10.422 -5.509 1.00 0.00 N ATOM 0 H HIS Y 2 9.712 8.854 -5.125 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.788 7.757 -6.959 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.535 8.154 -3.968 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.474 6.790 -4.542 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.489 10.701 -5.443 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.456 9.256 -5.379 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.026 11.356 -5.712 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.752 5.467 -7.002 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.140 4.139 -7.045 1.00 0.00 C ATOM 1438 C VAL Y 3 11.216 3.068 -6.874 1.00 0.00 C ATOM 1439 O VAL Y 3 12.176 3.032 -7.645 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.433 3.947 -8.390 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.764 2.573 -8.422 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.376 5.044 -8.589 1.00 0.00 C ATOM 0 H VAL Y 3 11.392 5.666 -7.770 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.415 4.050 -6.236 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.166 4.013 -9.194 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.261 2.436 -9.379 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.519 1.798 -8.295 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.034 2.505 -7.615 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.878 4.900 -9.548 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.640 4.990 -7.786 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.859 6.021 -8.574 1.00 0.00 H new ATOM 1452 N HIS Y 4 11.047 2.177 -5.895 1.00 0.00 N ATOM 1453 CA HIS Y 4 12.017 1.088 -5.685 1.00 0.00 C ATOM 1454 C HIS Y 4 11.296 -0.248 -5.883 1.00 0.00 C ATOM 1455 O HIS Y 4 10.229 -0.472 -5.306 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.647 1.181 -4.266 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.277 2.556 -4.012 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.166 3.224 -2.782 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.033 3.396 -4.810 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.827 4.393 -2.889 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.375 4.548 -4.100 1.00 0.00 N ATOM 0 H HIS Y 4 10.263 2.182 -5.242 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.831 1.171 -6.405 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.881 0.988 -3.515 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.406 0.407 -4.154 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.317 3.191 -5.832 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 13.905 5.118 -2.093 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.864 -1.120 -6.719 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.245 -2.422 -7.018 1.00 0.00 C ATOM 1470 C LEU Y 5 12.288 -3.522 -7.014 1.00 0.00 C ATOM 1471 O LEU Y 5 13.292 -3.432 -7.722 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.611 -2.327 -8.408 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.306 -1.507 -8.321 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.035 -0.784 -9.645 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 8.127 -2.442 -8.029 1.00 0.00 C ATOM 0 H LEU Y 5 12.747 -0.953 -7.201 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.497 -2.660 -6.261 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 11.304 -1.855 -9.105 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 10.402 -3.325 -8.793 1.00 0.00 H new ATOM 0 HG LEU Y 5 9.416 -0.774 -7.522 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.111 -0.211 -9.564 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 9.862 -0.109 -9.867 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 8.939 -1.516 -10.447 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 7.207 -1.860 -7.968 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.039 -3.177 -8.829 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 8.295 -2.955 -7.082 1.00 0.00 H new ATOM 1487 N GLN Y 6 12.035 -4.573 -6.244 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.955 -5.706 -6.195 1.00 0.00 C ATOM 1489 C GLN Y 6 12.188 -6.978 -6.513 1.00 0.00 C ATOM 1490 O GLN Y 6 11.337 -7.408 -5.736 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.595 -5.800 -4.808 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.663 -6.898 -4.807 1.00 0.00 C ATOM 1493 CD GLN Y 6 15.251 -7.071 -3.407 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.542 -7.423 -2.464 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.520 -6.840 -3.215 1.00 0.00 N ATOM 0 H GLN Y 6 11.211 -4.666 -5.651 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.749 -5.570 -6.930 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 14.042 -4.844 -4.538 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.834 -6.019 -4.059 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 14.227 -7.838 -5.143 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 15.455 -6.644 -5.512 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 17.109 -6.548 -3.995 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.924 -6.951 -2.285 1.00 0.00 H new ATOM 1504 N ILE Y 7 12.483 -7.570 -7.668 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.800 -8.792 -8.092 1.00 0.00 C ATOM 1506 C ILE Y 7 12.801 -9.758 -8.723 1.00 0.00 C ATOM 1507 O ILE Y 7 12.488 -10.307 -9.767 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.690 -8.455 -9.111 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.029 -7.126 -8.728 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.649 -9.582 -9.107 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 8.923 -6.796 -9.729 1.00 0.00 C ATOM 1512 OXT ILE Y 7 13.865 -9.934 -8.152 1.00 0.00 O ATOM 0 H ILE Y 7 13.185 -7.227 -8.324 1.00 0.00 H new ATOM 0 HA ILE Y 7 11.350 -9.262 -7.218 1.00 0.00 H new ATOM 0 HB ILE Y 7 11.118 -8.361 -10.109 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 9.615 -7.191 -7.722 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 10.772 -6.329 -8.716 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.861 -9.352 -9.824 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 10.128 -10.521 -9.383 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 9.217 -9.675 -8.111 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 8.454 -5.851 -9.455 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 9.350 -6.713 -10.729 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 8.175 -7.588 -9.719 1.00 0.00 H new TER 1524 ILE Y 7 HETATM 1525 ZN ZN A 101 -14.533 -1.979 2.695 1.00 0.00 ZN HETATM 1526 ZN ZN C 101 -11.346 -5.648 -1.148 1.00 0.00 ZN HETATM 1527 ZN ZN E 101 -8.648 -2.353 -4.954 1.00 0.00 ZN HETATM 1528 ZN ZN G 101 -5.324 -6.065 -8.663 1.00 0.00 ZN HETATM 1529 ZN ZN I 101 -2.816 -2.676 -12.584 1.00 0.00 ZN HETATM 1530 ZN ZN K 101 0.340 -6.082 -16.208 1.00 0.00 ZN HETATM 1531 ZN ZN O 101 1.162 1.702 14.865 1.00 0.00 ZN HETATM 1532 ZN ZN Q 101 3.999 5.559 10.746 1.00 0.00 ZN HETATM 1533 ZN ZN S 101 6.929 2.359 6.900 1.00 0.00 ZN HETATM 1534 ZN ZN U 101 9.539 6.076 2.661 1.00 0.00 ZN HETATM 1535 ZN ZN W 101 12.531 2.901 -0.664 1.00 0.00 ZN HETATM 1536 ZN ZN Y 101 15.238 6.325 -4.897 1.00 0.00 ZN