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= 1.16 K(o=4.4,f=2.2) USER MOD Set 1.2: Q 6 GLN : amide:sc= 1.47 K(o=4.4,f=-0.57) USER MOD Set 1.3: S 6 GLN : amide:sc= 0.866 K(o=4.4,f=-4!) USER MOD Set 1.4: U 6 GLN : amide:sc= 0.724 K(o=4.4,f=-4.5!) USER MOD Set 1.5: W 6 GLN : amide:sc= 0.349 K(o=4.4,f=-5!) USER MOD Set 1.6: Y 6 GLN : amide:sc= -0.199 K(o=4.4,f=-4.9!) USER MOD Set 2.1: A 6 GLN : amide:sc= 1.14 K(o=4.7,f=2.6) USER MOD Set 2.2: C 6 GLN : amide:sc= 1.5 K(o=4.7,f=-0.39!) USER MOD Set 2.3: E 6 GLN : amide:sc= 0.821 K(o=4.7,f=-4.3!) USER MOD Set 2.4: G 6 GLN : amide:sc= 0.823 K(o=4.7,f=-4.7!) USER MOD Set 2.5: I 6 GLN : amide:sc= 0.397 K(o=4.7,f=-5.7!) USER MOD Set 2.6: K 6 GLN : amide:sc= 0.0355 K(o=4.7,f=-5.3!) USER MOD Single : A 1 ILE N :NH3+ -139:sc= -0.216 (180deg=-1.07) USER MOD Single : C 1 ILE N :NH3+ -153:sc= -0.207 (180deg=-1.16) USER MOD Single : E 1 ILE N :NH3+ -153:sc= -0.24 (180deg=-1.19) USER MOD Single : G 1 ILE N :NH3+ -135:sc= -0.175 (180deg=-1.2!) USER MOD Single : I 1 ILE N :NH3+ -140:sc= -0.204 (180deg=-1.16!) USER MOD Single : K 1 ILE N :NH3+ -151:sc= -0.223 (180deg=-1.16) USER MOD Single : O 1 ILE N :NH3+ -155:sc= -0.153 (180deg=-1.14!) USER MOD Single : Q 1 ILE N :NH3+ -134:sc= -0.235 (180deg=-1.18!) USER MOD Single : S 1 ILE N :NH3+ -138:sc= -0.16 (180deg=-1.1!) USER MOD Single : U 1 ILE N :NH3+ -150:sc= -0.24 (180deg=-1.2!) USER MOD Single : W 1 ILE N :NH3+ -156:sc= -0.226 (180deg=-1.09) USER MOD Single : Y 1 ILE N :NH3+ -155:sc= -0.201 (180deg=-1.19) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.025 -11.775 6.899 1.00 0.00 N ATOM 2 CA ILE A 1 -11.210 -10.560 7.741 1.00 0.00 C ATOM 3 C ILE A 1 -11.203 -9.326 6.841 1.00 0.00 C ATOM 4 O ILE A 1 -10.312 -9.163 6.003 1.00 0.00 O ATOM 5 CB ILE A 1 -10.067 -10.461 8.759 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.059 -11.712 9.646 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.285 -9.234 9.639 1.00 0.00 C ATOM 8 CD1 ILE A 1 -8.773 -11.750 10.482 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.655 -12.531 7.237 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.254 -11.550 5.910 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.037 -12.094 6.962 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.159 -10.622 8.274 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.117 -10.379 8.230 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.930 -11.709 10.302 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.128 -12.607 9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.475 -9.158 10.365 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.300 -8.339 9.018 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.236 -9.327 10.164 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -8.773 -12.641 11.110 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -7.908 -11.774 9.819 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.722 -10.862 11.112 1.00 0.00 H new ATOM 22 N HIS A 2 -12.193 -8.450 7.017 1.00 0.00 N ATOM 23 CA HIS A 2 -12.269 -7.247 6.232 1.00 0.00 C ATOM 24 C HIS A 2 -12.050 -6.050 7.145 1.00 0.00 C ATOM 25 O HIS A 2 -12.800 -5.851 8.102 1.00 0.00 O ATOM 26 CB HIS A 2 -13.688 -7.212 5.632 1.00 0.00 C ATOM 27 CG HIS A 2 -14.032 -5.853 5.097 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.343 -5.365 5.082 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.267 -4.894 4.507 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.319 -4.163 4.496 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.087 -3.819 4.121 1.00 0.00 N ATOM 0 H HIS A 2 -12.945 -8.563 7.697 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.516 -7.219 5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.763 -7.948 4.831 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.413 -7.497 6.395 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.167 -5.840 5.451 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.199 -4.950 4.359 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.192 -3.546 4.345 1.00 0.00 H new ATOM 38 N VAL A 3 -11.047 -5.229 6.829 1.00 0.00 N ATOM 39 CA VAL A 3 -10.780 -4.028 7.617 1.00 0.00 C ATOM 40 C VAL A 3 -10.951 -2.805 6.739 1.00 0.00 C ATOM 41 O VAL A 3 -10.257 -2.671 5.731 1.00 0.00 O ATOM 42 CB VAL A 3 -9.351 -4.070 8.164 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.096 -2.808 8.994 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.167 -5.323 9.037 1.00 0.00 C ATOM 0 H VAL A 3 -10.414 -5.372 6.042 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.479 -3.982 8.452 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.640 -4.110 7.339 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.080 -2.830 9.387 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.222 -1.927 8.365 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.804 -2.767 9.821 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.149 -5.350 9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.871 -5.294 9.868 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.350 -6.214 8.437 1.00 0.00 H new ATOM 54 N HIS A 4 -11.848 -1.901 7.124 1.00 0.00 N ATOM 55 CA HIS A 4 -12.059 -0.695 6.371 1.00 0.00 C ATOM 56 C HIS A 4 -11.755 0.539 7.207 1.00 0.00 C ATOM 57 O HIS A 4 -12.247 0.672 8.325 1.00 0.00 O ATOM 58 CB HIS A 4 -13.506 -0.691 5.851 1.00 0.00 C ATOM 59 CG HIS A 4 -13.627 0.253 4.688 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.959 -0.155 3.385 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.454 1.594 4.629 1.00 0.00 C ATOM 62 CE1 HIS A 4 -13.971 0.947 2.617 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.672 2.042 3.324 1.00 0.00 N ATOM 0 H HIS A 4 -12.434 -1.992 7.954 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.374 -0.666 5.524 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.795 -1.697 5.546 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.187 -0.391 6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.187 2.223 5.465 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.194 0.948 1.560 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.615 3.001 2.983 1.00 0.00 H new ATOM 71 N LEU A 5 -10.963 1.456 6.650 1.00 0.00 N ATOM 72 CA LEU A 5 -10.623 2.698 7.342 1.00 0.00 C ATOM 73 C LEU A 5 -11.065 3.868 6.486 1.00 0.00 C ATOM 74 O LEU A 5 -10.574 4.048 5.370 1.00 0.00 O ATOM 75 CB LEU A 5 -9.104 2.761 7.584 1.00 0.00 C ATOM 76 CG LEU A 5 -8.673 4.094 8.247 1.00 0.00 C ATOM 77 CD1 LEU A 5 -8.681 5.270 7.248 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.585 4.410 9.444 1.00 0.00 C ATOM 0 H LEU A 5 -10.546 1.362 5.724 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.129 2.738 8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.804 1.927 8.219 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.581 2.643 6.635 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.647 3.968 8.594 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.372 6.183 7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.990 5.059 6.432 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.686 5.400 6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.273 5.349 9.902 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.616 4.499 9.102 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.514 3.607 10.178 1.00 0.00 H new ATOM 90 N GLN A 6 -11.974 4.678 7.017 1.00 0.00 N ATOM 91 CA GLN A 6 -12.461 5.854 6.297 1.00 0.00 C ATOM 92 C GLN A 6 -12.465 7.048 7.239 1.00 0.00 C ATOM 93 O GLN A 6 -13.148 7.035 8.265 1.00 0.00 O ATOM 94 CB GLN A 6 -13.871 5.594 5.756 1.00 0.00 C ATOM 95 CG GLN A 6 -14.326 6.780 4.898 1.00 0.00 C ATOM 96 CD GLN A 6 -15.765 6.568 4.436 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.675 6.472 5.259 1.00 0.00 O ATOM 98 NE2 GLN A 6 -16.023 6.480 3.158 1.00 0.00 N ATOM 0 H GLN A 6 -12.389 4.545 7.939 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.805 6.064 5.453 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.880 4.680 5.163 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.565 5.444 6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.252 7.704 5.471 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.670 6.887 4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.267 6.560 2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.981 6.331 2.840 1.00 0.00 H new ATOM 107 N ILE A 7 -11.693 8.083 6.898 1.00 0.00 N ATOM 108 CA ILE A 7 -11.619 9.279 7.747 1.00 0.00 C ATOM 109 C ILE A 7 -11.449 10.540 6.902 1.00 0.00 C ATOM 110 O ILE A 7 -11.244 11.593 7.481 1.00 0.00 O ATOM 111 CB ILE A 7 -10.452 9.141 8.745 1.00 0.00 C ATOM 112 CG1 ILE A 7 -9.128 8.992 7.978 1.00 0.00 C ATOM 113 CG2 ILE A 7 -10.678 7.912 9.629 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.935 9.007 8.944 1.00 0.00 C ATOM 115 OXT ILE A 7 -11.529 10.431 5.689 1.00 0.00 O ATOM 0 H ILE A 7 -11.119 8.120 6.056 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.554 9.369 8.300 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.404 10.032 9.371 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.133 8.060 7.413 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.027 9.802 7.256 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.853 7.815 10.334 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.613 8.025 10.178 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.729 7.020 9.005 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.009 8.900 8.380 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.921 9.950 9.490 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.027 8.181 9.649 1.00 0.00 H new TER 127 ILE A 7 ATOM 128 N ILE C 1 -7.838 -11.809 3.306 1.00 0.00 N ATOM 129 CA ILE C 1 -8.030 -10.566 4.105 1.00 0.00 C ATOM 130 C ILE C 1 -8.058 -9.367 3.167 1.00 0.00 C ATOM 131 O ILE C 1 -7.150 -9.179 2.345 1.00 0.00 O ATOM 132 CB ILE C 1 -6.877 -10.421 5.108 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.903 -11.619 6.066 1.00 0.00 C ATOM 134 CG2 ILE C 1 -7.050 -9.128 5.911 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.622 -11.651 6.902 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.257 -12.615 3.812 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.302 -11.702 2.381 1.00 0.00 H new ATOM 0 H3 ILE C 1 -6.821 -11.978 3.166 1.00 0.00 H new ATOM 0 HA ILE C 1 -8.972 -10.618 4.651 1.00 0.00 H new ATOM 0 HB ILE C 1 -5.927 -10.387 4.574 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.772 -11.553 6.720 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.000 -12.545 5.500 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.230 -9.029 6.622 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -7.047 -8.275 5.232 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -7.996 -9.159 6.451 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.650 -12.505 7.579 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.759 -11.739 6.242 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.543 -10.731 7.482 1.00 0.00 H new ATOM 149 N HIS C 2 -9.097 -8.542 3.291 1.00 0.00 N ATOM 150 CA HIS C 2 -9.198 -7.346 2.453 1.00 0.00 C ATOM 151 C HIS C 2 -9.015 -6.111 3.324 1.00 0.00 C ATOM 152 O HIS C 2 -9.769 -5.900 4.274 1.00 0.00 O ATOM 153 CB HIS C 2 -10.595 -7.298 1.787 1.00 0.00 C ATOM 154 CG HIS C 2 -10.621 -8.118 0.515 1.00 0.00 C ATOM 155 ND1 HIS C 2 -10.801 -7.539 -0.735 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.511 -9.469 0.283 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.795 -8.527 -1.647 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.621 -9.724 -1.079 1.00 0.00 N ATOM 0 H HIS C 2 -9.866 -8.674 3.948 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.428 -7.373 1.682 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.346 -7.675 2.482 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -10.859 -6.265 1.563 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.362 -10.220 1.045 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -10.916 -8.372 -2.709 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.578 -10.630 -1.545 1.00 0.00 H new ATOM 166 N VAL C 3 -8.040 -5.268 2.976 1.00 0.00 N ATOM 167 CA VAL C 3 -7.815 -4.026 3.716 1.00 0.00 C ATOM 168 C VAL C 3 -8.080 -2.836 2.798 1.00 0.00 C ATOM 169 O VAL C 3 -7.477 -2.736 1.725 1.00 0.00 O ATOM 170 CB VAL C 3 -6.379 -3.989 4.238 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.159 -2.696 5.023 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.135 -5.197 5.158 1.00 0.00 C ATOM 0 H VAL C 3 -7.401 -5.420 2.196 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.495 -3.976 4.567 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.685 -4.028 3.399 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.135 -2.667 5.397 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.332 -1.840 4.370 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.853 -2.658 5.863 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.111 -5.170 5.530 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -6.828 -5.160 5.999 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.294 -6.119 4.598 1.00 0.00 H new ATOM 182 N HIS C 4 -8.965 -1.930 3.213 1.00 0.00 N ATOM 183 CA HIS C 4 -9.279 -0.743 2.404 1.00 0.00 C ATOM 184 C HIS C 4 -8.923 0.534 3.177 1.00 0.00 C ATOM 185 O HIS C 4 -9.342 0.692 4.324 1.00 0.00 O ATOM 186 CB HIS C 4 -10.789 -0.744 2.036 1.00 0.00 C ATOM 187 CG HIS C 4 -11.206 -2.035 1.320 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.419 -2.686 1.591 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.600 -2.802 0.340 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.489 -3.773 0.802 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.411 -3.895 0.020 1.00 0.00 N ATOM 0 H HIS C 4 -9.475 -1.990 4.094 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.689 -0.770 1.488 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.383 -0.624 2.942 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.007 0.112 1.397 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.642 -2.588 -0.111 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.318 -4.465 0.800 1.00 0.00 H new ATOM 198 N LEU C 5 -8.172 1.453 2.551 1.00 0.00 N ATOM 199 CA LEU C 5 -7.802 2.718 3.215 1.00 0.00 C ATOM 200 C LEU C 5 -8.293 3.903 2.391 1.00 0.00 C ATOM 201 O LEU C 5 -7.931 4.036 1.220 1.00 0.00 O ATOM 202 CB LEU C 5 -6.286 2.822 3.339 1.00 0.00 C ATOM 203 CG LEU C 5 -5.721 1.598 4.060 1.00 0.00 C ATOM 204 CD1 LEU C 5 -4.187 1.707 4.102 1.00 0.00 C ATOM 205 CD2 LEU C 5 -6.292 1.524 5.484 1.00 0.00 C ATOM 0 H LEU C 5 -7.813 1.350 1.602 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.261 2.731 4.204 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.839 2.906 2.348 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -6.021 3.727 3.885 1.00 0.00 H new ATOM 0 HG LEU C 5 -6.003 0.690 3.527 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -3.774 0.838 4.615 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -3.797 1.747 3.085 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -3.901 2.613 4.636 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.886 0.650 5.994 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -6.017 2.424 6.033 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -7.378 1.445 5.437 1.00 0.00 H new ATOM 217 N GLN C 6 -9.095 4.773 3.006 1.00 0.00 N ATOM 218 CA GLN C 6 -9.604 5.956 2.310 1.00 0.00 C ATOM 219 C GLN C 6 -9.561 7.166 3.244 1.00 0.00 C ATOM 220 O GLN C 6 -10.287 7.224 4.242 1.00 0.00 O ATOM 221 CB GLN C 6 -11.036 5.690 1.833 1.00 0.00 C ATOM 222 CG GLN C 6 -11.519 6.853 0.965 1.00 0.00 C ATOM 223 CD GLN C 6 -12.975 6.633 0.567 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.820 6.363 1.421 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.316 6.715 -0.692 1.00 0.00 N ATOM 0 H GLN C 6 -9.404 4.683 3.974 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.979 6.169 1.443 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.073 4.761 1.265 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.697 5.566 2.691 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.420 7.791 1.511 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.897 6.936 0.073 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.614 6.939 -1.397 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.284 6.555 -0.970 1.00 0.00 H new ATOM 234 N ILE C 7 -8.701 8.139 2.929 1.00 0.00 N ATOM 235 CA ILE C 7 -8.580 9.341 3.771 1.00 0.00 C ATOM 236 C ILE C 7 -8.527 10.603 2.907 1.00 0.00 C ATOM 237 O ILE C 7 -8.185 10.486 1.743 1.00 0.00 O ATOM 238 CB ILE C 7 -7.320 9.230 4.674 1.00 0.00 C ATOM 239 CG1 ILE C 7 -6.083 9.796 3.948 1.00 0.00 C ATOM 240 CG2 ILE C 7 -7.096 7.760 5.048 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.793 9.320 4.625 1.00 0.00 C ATOM 242 OXT ILE C 7 -8.832 11.665 3.425 1.00 0.00 O ATOM 0 H ILE C 7 -8.088 8.124 2.114 1.00 0.00 H new ATOM 0 HA ILE C 7 -9.459 9.414 4.411 1.00 0.00 H new ATOM 0 HB ILE C 7 -7.474 9.814 5.581 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.091 9.479 2.905 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.120 10.885 3.951 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -6.213 7.676 5.682 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -7.966 7.385 5.587 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.949 7.172 4.142 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -3.932 9.731 4.097 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -4.779 9.659 5.661 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -4.749 8.231 4.599 1.00 0.00 H new TER 254 ILE C 7 ATOM 255 N ILE E 1 -4.948 -11.741 -0.733 1.00 0.00 N ATOM 256 CA ILE E 1 -5.045 -10.512 0.104 1.00 0.00 C ATOM 257 C ILE E 1 -5.153 -9.297 -0.811 1.00 0.00 C ATOM 258 O ILE E 1 -4.355 -9.139 -1.744 1.00 0.00 O ATOM 259 CB ILE E 1 -3.789 -10.391 0.973 1.00 0.00 C ATOM 260 CG1 ILE E 1 -3.677 -11.622 1.879 1.00 0.00 C ATOM 261 CG2 ILE E 1 -3.894 -9.138 1.841 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.294 -11.660 2.544 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.323 -12.553 -0.202 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.501 -11.612 -1.605 1.00 0.00 H new ATOM 0 H3 ILE E 1 -3.953 -11.917 -0.977 1.00 0.00 H new ATOM 0 HA ILE E 1 -5.924 -10.567 0.746 1.00 0.00 H new ATOM 0 HB ILE E 1 -2.909 -10.324 0.334 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.456 -11.595 2.641 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -3.834 -12.529 1.295 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.002 -9.049 2.461 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -3.981 -8.259 1.202 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -4.774 -9.211 2.480 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.223 -12.538 3.186 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.522 -11.709 1.776 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.153 -10.760 3.143 1.00 0.00 H new ATOM 276 N HIS E 2 -6.131 -8.427 -0.539 1.00 0.00 N ATOM 277 CA HIS E 2 -6.301 -7.234 -1.338 1.00 0.00 C ATOM 278 C HIS E 2 -5.996 -6.016 -0.480 1.00 0.00 C ATOM 279 O HIS E 2 -6.644 -5.798 0.544 1.00 0.00 O ATOM 280 CB HIS E 2 -7.775 -7.195 -1.792 1.00 0.00 C ATOM 281 CG HIS E 2 -8.138 -5.846 -2.350 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.423 -5.289 -2.236 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.411 -4.951 -3.073 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.414 -4.120 -2.883 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.224 -3.855 -3.415 1.00 0.00 N ATOM 0 H HIS E 2 -6.803 -8.534 0.221 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.633 -7.235 -2.200 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -7.946 -7.962 -2.548 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.424 -7.429 -0.948 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.371 -5.065 -3.342 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.271 -3.468 -2.964 1.00 0.00 H new ATOM 292 N VAL E 3 -5.041 -5.197 -0.922 1.00 0.00 N ATOM 293 CA VAL E 3 -4.707 -3.971 -0.201 1.00 0.00 C ATOM 294 C VAL E 3 -4.985 -2.778 -1.093 1.00 0.00 C ATOM 295 O VAL E 3 -4.390 -2.667 -2.167 1.00 0.00 O ATOM 296 CB VAL E 3 -3.226 -3.983 0.176 1.00 0.00 C ATOM 297 CG1 VAL E 3 -2.891 -2.699 0.938 1.00 0.00 C ATOM 298 CG2 VAL E 3 -2.924 -5.205 1.055 1.00 0.00 C ATOM 0 H VAL E 3 -4.491 -5.358 -1.766 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.311 -3.906 0.704 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.619 -4.039 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -1.835 -2.702 1.210 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.101 -1.836 0.306 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.498 -2.643 1.842 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -1.867 -5.209 1.321 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.527 -5.159 1.962 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.164 -6.116 0.506 1.00 0.00 H new ATOM 308 N HIS E 4 -5.853 -1.869 -0.652 1.00 0.00 N ATOM 309 CA HIS E 4 -6.142 -0.690 -1.423 1.00 0.00 C ATOM 310 C HIS E 4 -5.779 0.569 -0.657 1.00 0.00 C ATOM 311 O HIS E 4 -6.187 0.737 0.492 1.00 0.00 O ATOM 312 CB HIS E 4 -7.627 -0.715 -1.820 1.00 0.00 C ATOM 313 CG HIS E 4 -7.857 0.207 -2.984 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.247 -0.231 -4.264 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.763 1.553 -3.061 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.369 0.861 -5.034 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.088 1.979 -4.352 1.00 0.00 N ATOM 0 H HIS E 4 -6.359 -1.937 0.231 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.534 -0.682 -2.328 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -7.926 -1.730 -2.083 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.244 -0.410 -0.975 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.479 2.203 -2.246 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.658 0.841 -6.074 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -8.107 2.937 -4.701 1.00 0.00 H new ATOM 325 N LEU E 5 -5.038 1.471 -1.306 1.00 0.00 N ATOM 326 CA LEU E 5 -4.650 2.731 -0.681 1.00 0.00 C ATOM 327 C LEU E 5 -5.163 3.894 -1.514 1.00 0.00 C ATOM 328 O LEU E 5 -4.745 4.076 -2.659 1.00 0.00 O ATOM 329 CB LEU E 5 -3.114 2.796 -0.549 1.00 0.00 C ATOM 330 CG LEU E 5 -2.628 4.147 0.037 1.00 0.00 C ATOM 331 CD1 LEU E 5 -2.669 5.282 -1.010 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.473 4.521 1.263 1.00 0.00 C ATOM 0 H LEU E 5 -4.698 1.350 -2.260 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.088 2.794 0.315 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.772 1.982 0.090 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.661 2.644 -1.529 1.00 0.00 H new ATOM 0 HG LEU E 5 -1.588 4.022 0.337 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -2.320 6.209 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -2.024 5.025 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -3.691 5.414 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -3.125 5.471 1.669 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -4.519 4.613 0.970 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -3.376 3.745 2.022 1.00 0.00 H new ATOM 344 N GLN E 6 -6.057 4.692 -0.925 1.00 0.00 N ATOM 345 CA GLN E 6 -6.613 5.858 -1.616 1.00 0.00 C ATOM 346 C GLN E 6 -6.568 7.068 -0.689 1.00 0.00 C ATOM 347 O GLN E 6 -7.192 7.078 0.377 1.00 0.00 O ATOM 348 CB GLN E 6 -8.059 5.571 -2.038 1.00 0.00 C ATOM 349 CG GLN E 6 -8.601 6.741 -2.866 1.00 0.00 C ATOM 350 CD GLN E 6 -10.069 6.502 -3.207 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.910 6.411 -2.312 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.425 6.387 -4.458 1.00 0.00 N ATOM 0 H GLN E 6 -6.409 4.554 0.022 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.021 6.068 -2.507 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.101 4.651 -2.621 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.681 5.419 -1.156 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.495 7.672 -2.309 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -8.019 6.850 -3.781 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.725 6.463 -5.196 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.403 6.221 -4.697 1.00 0.00 H new ATOM 361 N ILE E 7 -5.820 8.092 -1.094 1.00 0.00 N ATOM 362 CA ILE E 7 -5.697 9.298 -0.276 1.00 0.00 C ATOM 363 C ILE E 7 -5.663 10.549 -1.153 1.00 0.00 C ATOM 364 O ILE E 7 -5.442 11.620 -0.613 1.00 0.00 O ATOM 365 CB ILE E 7 -4.419 9.199 0.575 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.189 9.133 -0.342 1.00 0.00 C ATOM 367 CG2 ILE E 7 -4.467 7.923 1.431 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.902 9.179 0.487 1.00 0.00 C ATOM 369 OXT ILE E 7 -5.851 10.414 -2.351 1.00 0.00 O ATOM 0 H ILE E 7 -5.297 8.113 -1.970 1.00 0.00 H new ATOM 0 HA ILE E 7 -6.565 9.377 0.379 1.00 0.00 H new ATOM 0 HB ILE E 7 -4.353 10.076 1.219 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.216 8.217 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.206 9.966 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -3.561 7.854 2.033 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -5.337 7.957 2.087 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -4.537 7.051 0.781 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.039 9.131 -0.177 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.870 10.107 1.058 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.880 8.331 1.172 1.00 0.00 H new TER 381 ILE E 7 ATOM 382 N ILE G 1 -1.870 -11.781 -4.511 1.00 0.00 N ATOM 383 CA ILE G 1 -1.999 -10.530 -3.712 1.00 0.00 C ATOM 384 C ILE G 1 -2.081 -9.341 -4.655 1.00 0.00 C ATOM 385 O ILE G 1 -1.202 -9.148 -5.505 1.00 0.00 O ATOM 386 CB ILE G 1 -0.775 -10.381 -2.800 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.730 -11.578 -1.844 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.886 -9.086 -1.992 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.610 -11.608 -1.108 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.512 -12.505 -4.129 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.118 -11.587 -5.502 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.890 -12.126 -4.460 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.901 -10.573 -3.102 1.00 0.00 H new ATOM 0 HB ILE G 1 0.133 -10.346 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.547 -11.512 -1.126 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.869 -12.504 -2.401 1.00 0.00 H new ATOM 0 HG21 ILE G 1 -0.014 -8.985 -1.346 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.934 -8.236 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.789 -9.114 -1.382 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.634 -12.462 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.421 -11.696 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.732 -10.688 -0.537 1.00 0.00 H new ATOM 403 N HIS G 2 -3.124 -8.524 -4.496 1.00 0.00 N ATOM 404 CA HIS G 2 -3.266 -7.334 -5.338 1.00 0.00 C ATOM 405 C HIS G 2 -3.052 -6.089 -4.484 1.00 0.00 C ATOM 406 O HIS G 2 -3.767 -5.874 -3.504 1.00 0.00 O ATOM 407 CB HIS G 2 -4.685 -7.296 -5.953 1.00 0.00 C ATOM 408 CG HIS G 2 -4.751 -8.120 -7.220 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.989 -7.546 -8.463 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.640 -9.471 -7.453 1.00 0.00 C ATOM 411 CE1 HIS G 2 -5.013 -8.537 -9.372 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.806 -9.730 -8.810 1.00 0.00 N ATOM 0 H HIS G 2 -3.866 -8.658 -3.810 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.527 -7.365 -6.139 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.408 -7.675 -5.231 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -4.963 -6.265 -6.171 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.452 -10.218 -6.696 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.180 -8.386 -10.428 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.776 -10.637 -9.276 1.00 0.00 H new ATOM 420 N VAL G 3 -2.100 -5.245 -4.885 1.00 0.00 N ATOM 421 CA VAL G 3 -1.844 -3.994 -4.170 1.00 0.00 C ATOM 422 C VAL G 3 -2.159 -2.816 -5.087 1.00 0.00 C ATOM 423 O VAL G 3 -1.607 -2.724 -6.187 1.00 0.00 O ATOM 424 CB VAL G 3 -0.380 -3.949 -3.731 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.113 -2.647 -2.979 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.083 -5.141 -2.812 1.00 0.00 C ATOM 0 H VAL G 3 -1.498 -5.403 -5.694 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.479 -3.935 -3.286 1.00 0.00 H new ATOM 0 HB VAL G 3 0.263 -3.999 -4.609 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.931 -2.615 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.322 -1.800 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.757 -2.595 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.961 -5.108 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.727 -5.092 -1.934 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.272 -6.070 -3.349 1.00 0.00 H new ATOM 436 N HIS G 4 -3.030 -1.909 -4.642 1.00 0.00 N ATOM 437 CA HIS G 4 -3.386 -0.734 -5.453 1.00 0.00 C ATOM 438 C HIS G 4 -2.994 0.554 -4.720 1.00 0.00 C ATOM 439 O HIS G 4 -3.351 0.732 -3.556 1.00 0.00 O ATOM 440 CB HIS G 4 -4.915 -0.742 -5.746 1.00 0.00 C ATOM 441 CG HIS G 4 -5.356 -2.037 -6.439 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.555 -2.695 -6.119 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.777 -2.810 -7.428 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.641 -3.791 -6.893 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.588 -3.913 -7.706 1.00 0.00 N ATOM 0 H HIS G 4 -3.499 -1.960 -3.738 1.00 0.00 H new ATOM 0 HA HIS G 4 -2.842 -0.775 -6.397 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.465 -0.624 -4.812 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.169 0.111 -6.375 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.837 -2.593 -7.914 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.464 -4.490 -6.861 1.00 0.00 H new ATOM 452 N LEU G 5 -2.275 1.461 -5.402 1.00 0.00 N ATOM 453 CA LEU G 5 -1.868 2.736 -4.781 1.00 0.00 C ATOM 454 C LEU G 5 -2.399 3.911 -5.595 1.00 0.00 C ATOM 455 O LEU G 5 -2.082 4.045 -6.779 1.00 0.00 O ATOM 456 CB LEU G 5 -0.349 2.841 -4.731 1.00 0.00 C ATOM 457 CG LEU G 5 0.256 1.633 -4.015 1.00 0.00 C ATOM 458 CD1 LEU G 5 1.790 1.754 -4.037 1.00 0.00 C ATOM 459 CD2 LEU G 5 -0.254 1.576 -2.567 1.00 0.00 C ATOM 0 H LEU G 5 -1.967 1.341 -6.367 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.277 2.763 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU G 5 0.049 2.906 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.060 3.757 -4.216 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.041 0.715 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU G 5 2.230 0.896 -3.528 1.00 0.00 H new ATOM 0 HD12 LEU G 5 2.138 1.781 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU G 5 2.090 2.670 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU G 5 0.180 0.713 -2.062 1.00 0.00 H new ATOM 0 HD22 LEU G 5 0.036 2.487 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -1.340 1.487 -2.567 1.00 0.00 H new ATOM 471 N GLN G 6 -3.180 4.777 -4.952 1.00 0.00 N ATOM 472 CA GLN G 6 -3.725 5.954 -5.626 1.00 0.00 C ATOM 473 C GLN G 6 -3.657 7.158 -4.687 1.00 0.00 C ATOM 474 O GLN G 6 -4.342 7.202 -3.657 1.00 0.00 O ATOM 475 CB GLN G 6 -5.174 5.675 -6.044 1.00 0.00 C ATOM 476 CG GLN G 6 -5.730 6.859 -6.839 1.00 0.00 C ATOM 477 CD GLN G 6 -7.199 6.620 -7.177 1.00 0.00 C ATOM 478 OE1 GLN G 6 -8.022 6.423 -6.280 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.578 6.631 -8.427 1.00 0.00 N ATOM 0 H GLN G 6 -3.448 4.687 -3.972 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.139 6.175 -6.518 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.218 4.769 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.788 5.500 -5.161 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.627 7.777 -6.260 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.155 6.994 -7.755 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.894 6.794 -9.166 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.558 6.476 -8.664 1.00 0.00 H new ATOM 488 N ILE G 7 -2.818 8.139 -5.040 1.00 0.00 N ATOM 489 CA ILE G 7 -2.662 9.341 -4.208 1.00 0.00 C ATOM 490 C ILE G 7 -2.692 10.603 -5.074 1.00 0.00 C ATOM 491 O ILE G 7 -2.418 10.492 -6.257 1.00 0.00 O ATOM 492 CB ILE G 7 -1.340 9.254 -3.401 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.165 9.795 -4.239 1.00 0.00 C ATOM 494 CG2 ILE G 7 -1.082 7.793 -3.011 1.00 0.00 C ATOM 495 CD1 ILE G 7 1.178 9.381 -3.623 1.00 0.00 C ATOM 496 OXT ILE G 7 -2.985 11.660 -4.538 1.00 0.00 O ATOM 0 H ILE G 7 -2.244 8.127 -5.883 1.00 0.00 H new ATOM 0 HA ILE G 7 -3.495 9.398 -3.507 1.00 0.00 H new ATOM 0 HB ILE G 7 -1.427 9.861 -2.500 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.235 9.416 -5.259 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.224 10.882 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE G 7 -0.154 7.726 -2.444 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -1.908 7.428 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.001 7.185 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.993 9.773 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE G 7 1.253 9.781 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE G 7 1.242 8.293 -3.588 1.00 0.00 H new TER 508 ILE G 7 ATOM 509 N ILE I 1 0.947 -11.697 -8.523 1.00 0.00 N ATOM 510 CA ILE I 1 0.916 -10.455 -7.701 1.00 0.00 C ATOM 511 C ILE I 1 0.758 -9.251 -8.623 1.00 0.00 C ATOM 512 O ILE I 1 1.513 -9.099 -9.589 1.00 0.00 O ATOM 513 CB ILE I 1 2.231 -10.332 -6.924 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.400 -11.554 -6.014 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.194 -9.070 -6.061 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.831 -11.603 -5.457 1.00 0.00 C ATOM 0 H1 ILE I 1 0.404 -12.444 -8.044 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.527 -11.507 -9.455 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.932 -12.008 -8.645 1.00 0.00 H new ATOM 0 HA ILE I 1 0.081 -10.494 -7.002 1.00 0.00 H new ATOM 0 HB ILE I 1 3.063 -10.276 -7.626 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.683 -11.508 -5.194 1.00 0.00 H new ATOM 0 HG13 ILE I 1 2.187 -12.465 -6.573 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.129 -8.980 -5.507 1.00 0.00 H new ATOM 0 HG22 ILE I 1 2.065 -8.196 -6.700 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.362 -9.133 -5.360 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.941 -12.475 -4.812 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.540 -11.670 -6.282 1.00 0.00 H new ATOM 0 HD13 ILE I 1 4.029 -10.699 -4.882 1.00 0.00 H new ATOM 530 N HIS I 2 -0.210 -8.381 -8.317 1.00 0.00 N ATOM 531 CA HIS I 2 -0.423 -7.197 -9.119 1.00 0.00 C ATOM 532 C HIS I 2 -0.073 -5.969 -8.290 1.00 0.00 C ATOM 533 O HIS I 2 -0.660 -5.741 -7.233 1.00 0.00 O ATOM 534 CB HIS I 2 -1.919 -7.161 -9.496 1.00 0.00 C ATOM 535 CG HIS I 2 -2.302 -5.821 -10.065 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.590 -5.278 -9.943 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.587 -4.920 -10.796 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.596 -4.107 -10.589 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.412 -3.831 -11.130 1.00 0.00 N ATOM 0 H HIS I 2 -0.846 -8.482 -7.526 1.00 0.00 H new ATOM 0 HA HIS I 2 0.198 -7.209 -10.015 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.133 -7.943 -10.224 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.525 -7.372 -8.615 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.549 -5.026 -11.075 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.459 -3.462 -10.663 1.00 0.00 H new ATOM 546 N VAL I 3 0.857 -5.154 -8.793 1.00 0.00 N ATOM 547 CA VAL I 3 1.235 -3.923 -8.105 1.00 0.00 C ATOM 548 C VAL I 3 0.909 -2.738 -8.989 1.00 0.00 C ATOM 549 O VAL I 3 1.447 -2.638 -10.092 1.00 0.00 O ATOM 550 CB VAL I 3 2.737 -3.935 -7.822 1.00 0.00 C ATOM 551 CG1 VAL I 3 3.129 -2.646 -7.100 1.00 0.00 C ATOM 552 CG2 VAL I 3 3.089 -5.145 -6.951 1.00 0.00 C ATOM 0 H VAL I 3 1.357 -5.324 -9.666 1.00 0.00 H new ATOM 0 HA VAL I 3 0.686 -3.849 -7.166 1.00 0.00 H new ATOM 0 HB VAL I 3 3.283 -4.002 -8.763 1.00 0.00 H new ATOM 0 HG11 VAL I 3 4.200 -2.654 -6.898 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.884 -1.789 -7.727 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.583 -2.575 -6.159 1.00 0.00 H new ATOM 0 HG21 VAL I 3 4.161 -5.150 -6.751 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.545 -5.086 -6.009 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.813 -6.061 -7.472 1.00 0.00 H new ATOM 562 N HIS I 4 0.069 -1.821 -8.510 1.00 0.00 N ATOM 563 CA HIS I 4 -0.255 -0.650 -9.278 1.00 0.00 C ATOM 564 C HIS I 4 0.155 0.618 -8.547 1.00 0.00 C ATOM 565 O HIS I 4 -0.190 0.806 -7.380 1.00 0.00 O ATOM 566 CB HIS I 4 -1.759 -0.677 -9.594 1.00 0.00 C ATOM 567 CG HIS I 4 -2.053 0.237 -10.751 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.500 -0.211 -12.007 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.974 1.582 -10.839 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.671 0.873 -12.776 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.369 1.996 -12.114 1.00 0.00 N ATOM 0 H HIS I 4 -0.389 -1.877 -7.600 1.00 0.00 H new ATOM 0 HA HIS I 4 0.304 -0.652 -10.214 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.071 -1.693 -9.833 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.329 -0.366 -8.719 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.654 2.239 -10.044 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -3.010 0.844 -13.801 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.417 2.952 -12.466 1.00 0.00 H new ATOM 579 N LEU I 5 0.869 1.505 -9.251 1.00 0.00 N ATOM 580 CA LEU I 5 1.300 2.771 -8.665 1.00 0.00 C ATOM 581 C LEU I 5 0.753 3.929 -9.484 1.00 0.00 C ATOM 582 O LEU I 5 1.139 4.121 -10.639 1.00 0.00 O ATOM 583 CB LEU I 5 2.840 2.814 -8.609 1.00 0.00 C ATOM 584 CG LEU I 5 3.374 4.158 -8.054 1.00 0.00 C ATOM 585 CD1 LEU I 5 3.321 5.280 -9.115 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.577 4.567 -6.807 1.00 0.00 C ATOM 0 H LEU I 5 1.157 1.367 -10.220 1.00 0.00 H new ATOM 0 HA LEU I 5 0.914 2.858 -7.650 1.00 0.00 H new ATOM 0 HB2 LEU I 5 3.201 1.997 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU I 5 3.242 2.652 -9.609 1.00 0.00 H new ATOM 0 HG LEU I 5 4.420 4.013 -7.783 1.00 0.00 H new ATOM 0 HD11 LEU I 5 3.704 6.206 -8.685 1.00 0.00 H new ATOM 0 HD12 LEU I 5 3.931 4.998 -9.973 1.00 0.00 H new ATOM 0 HD13 LEU I 5 2.290 5.429 -9.436 1.00 0.00 H new ATOM 0 HD21 LEU I 5 2.960 5.513 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU I 5 1.525 4.681 -7.069 1.00 0.00 H new ATOM 0 HD23 LEU I 5 2.679 3.798 -6.041 1.00 0.00 H new ATOM 598 N GLN I 6 -0.136 4.715 -8.866 1.00 0.00 N ATOM 599 CA GLN I 6 -0.726 5.878 -9.532 1.00 0.00 C ATOM 600 C GLN I 6 -0.642 7.089 -8.611 1.00 0.00 C ATOM 601 O GLN I 6 -1.226 7.103 -7.517 1.00 0.00 O ATOM 602 CB GLN I 6 -2.189 5.590 -9.890 1.00 0.00 C ATOM 603 CG GLN I 6 -2.778 6.762 -10.682 1.00 0.00 C ATOM 604 CD GLN I 6 -4.259 6.520 -10.961 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.066 6.431 -10.033 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.663 6.394 -12.196 1.00 0.00 N ATOM 0 H GLN I 6 -0.460 4.567 -7.910 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.175 6.086 -10.449 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.254 4.674 -10.478 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.769 5.427 -8.981 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.653 7.688 -10.121 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.239 6.883 -11.622 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.993 6.468 -12.962 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.648 6.222 -12.395 1.00 0.00 H new ATOM 615 N ILE I 7 0.097 8.107 -9.054 1.00 0.00 N ATOM 616 CA ILE I 7 0.268 9.320 -8.256 1.00 0.00 C ATOM 617 C ILE I 7 0.233 10.562 -9.144 1.00 0.00 C ATOM 618 O ILE I 7 0.463 11.642 -8.625 1.00 0.00 O ATOM 619 CB ILE I 7 1.604 9.236 -7.492 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.781 9.208 -8.485 1.00 0.00 C ATOM 621 CG2 ILE I 7 1.639 7.946 -6.653 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.116 9.274 -7.731 1.00 0.00 C ATOM 623 OXT ILE I 7 -0.020 10.414 -10.328 1.00 0.00 O ATOM 0 H ILE I 7 0.582 8.116 -9.951 1.00 0.00 H new ATOM 0 HA ILE I 7 -0.553 9.400 -7.543 1.00 0.00 H new ATOM 0 HB ILE I 7 1.691 10.108 -6.844 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.739 8.298 -9.084 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.703 10.048 -9.175 1.00 0.00 H new ATOM 0 HG21 ILE I 7 2.584 7.888 -6.114 1.00 0.00 H new ATOM 0 HG22 ILE I 7 0.814 7.953 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE I 7 1.543 7.082 -7.310 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.939 9.253 -8.446 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.161 10.196 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.197 8.419 -7.059 1.00 0.00 H new TER 635 ILE I 7 ATOM 636 N ILE K 1 3.922 -11.720 -12.376 1.00 0.00 N ATOM 637 CA ILE K 1 3.884 -10.457 -11.581 1.00 0.00 C ATOM 638 C ILE K 1 3.737 -9.280 -12.527 1.00 0.00 C ATOM 639 O ILE K 1 4.567 -9.092 -13.415 1.00 0.00 O ATOM 640 CB ILE K 1 5.191 -10.316 -10.791 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.312 -11.506 -9.838 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.187 -9.014 -9.983 1.00 0.00 C ATOM 643 CD1 ILE K 1 6.709 -11.529 -9.228 1.00 0.00 C ATOM 0 H1 ILE K 1 3.538 -12.501 -11.806 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.350 -11.606 -13.237 1.00 0.00 H new ATOM 0 H3 ILE K 1 4.905 -11.935 -12.640 1.00 0.00 H new ATOM 0 HA ILE K 1 3.042 -10.480 -10.890 1.00 0.00 H new ATOM 0 HB ILE K 1 6.034 -10.294 -11.482 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.561 -11.433 -9.051 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.122 -12.436 -10.374 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.121 -8.928 -9.427 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.088 -8.166 -10.660 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.349 -9.021 -9.286 1.00 0.00 H new ATOM 0 HD11 ILE K 1 6.795 -12.377 -8.549 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.451 -11.622 -10.021 1.00 0.00 H new ATOM 0 HD13 ILE K 1 6.881 -10.604 -8.677 1.00 0.00 H new ATOM 657 N HIS K 2 2.700 -8.464 -12.320 1.00 0.00 N ATOM 658 CA HIS K 2 2.509 -7.285 -13.165 1.00 0.00 C ATOM 659 C HIS K 2 2.785 -6.035 -12.335 1.00 0.00 C ATOM 660 O HIS K 2 2.147 -5.813 -11.306 1.00 0.00 O ATOM 661 CB HIS K 2 1.051 -7.241 -13.678 1.00 0.00 C ATOM 662 CG HIS K 2 0.894 -8.058 -14.939 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.568 -7.479 -16.161 1.00 0.00 N ATOM 664 CD2 HIS K 2 0.984 -9.409 -15.182 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.475 -8.470 -17.067 1.00 0.00 C ATOM 666 NE2 HIS K 2 0.719 -9.665 -16.523 1.00 0.00 N ATOM 0 H HIS K 2 1.996 -8.593 -11.593 1.00 0.00 H new ATOM 0 HA HIS K 2 3.189 -7.330 -14.016 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.380 -7.622 -12.908 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.761 -6.208 -13.872 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.224 -10.158 -14.442 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.232 -8.317 -18.108 1.00 0.00 H new ATOM 0 HE2 HIS K 2 0.712 -10.571 -16.991 1.00 0.00 H new ATOM 674 N VAL K 3 3.710 -5.199 -12.808 1.00 0.00 N ATOM 675 CA VAL K 3 4.027 -3.946 -12.124 1.00 0.00 C ATOM 676 C VAL K 3 3.645 -2.776 -13.027 1.00 0.00 C ATOM 677 O VAL K 3 4.104 -2.705 -14.168 1.00 0.00 O ATOM 678 CB VAL K 3 5.528 -3.908 -11.804 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.869 -2.600 -11.091 1.00 0.00 C ATOM 680 CG2 VAL K 3 5.893 -5.093 -10.896 1.00 0.00 C ATOM 0 H VAL K 3 4.250 -5.366 -13.657 1.00 0.00 H new ATOM 0 HA VAL K 3 3.467 -3.874 -11.191 1.00 0.00 H new ATOM 0 HB VAL K 3 6.094 -3.974 -12.733 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.935 -2.576 -10.865 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.615 -1.758 -11.735 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.300 -2.532 -10.164 1.00 0.00 H new ATOM 0 HG21 VAL K 3 6.959 -5.064 -10.670 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.324 -5.029 -9.969 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.655 -6.028 -11.404 1.00 0.00 H new ATOM 690 N HIS K 4 2.818 -1.854 -12.527 1.00 0.00 N ATOM 691 CA HIS K 4 2.405 -0.687 -13.328 1.00 0.00 C ATOM 692 C HIS K 4 2.865 0.610 -12.651 1.00 0.00 C ATOM 693 O HIS K 4 2.607 0.812 -11.465 1.00 0.00 O ATOM 694 CB HIS K 4 0.858 -0.690 -13.506 1.00 0.00 C ATOM 695 CG HIS K 4 0.367 -1.984 -14.162 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.806 -2.646 -13.759 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.869 -2.746 -15.199 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.948 -3.735 -14.536 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.040 -3.845 -15.428 1.00 0.00 N ATOM 0 H HIS K 4 2.424 -1.886 -11.587 1.00 0.00 H new ATOM 0 HA HIS K 4 2.872 -0.746 -14.311 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.379 -0.570 -12.534 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.560 0.163 -14.115 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.770 -2.524 -15.751 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.764 -4.437 -14.449 1.00 0.00 H new ATOM 706 N LEU K 5 3.527 1.497 -13.409 1.00 0.00 N ATOM 707 CA LEU K 5 4.002 2.783 -12.861 1.00 0.00 C ATOM 708 C LEU K 5 3.389 3.943 -13.635 1.00 0.00 C ATOM 709 O LEU K 5 3.564 4.046 -14.849 1.00 0.00 O ATOM 710 CB LEU K 5 5.526 2.870 -12.973 1.00 0.00 C ATOM 711 CG LEU K 5 6.182 1.675 -12.269 1.00 0.00 C ATOM 712 CD1 LEU K 5 7.710 1.773 -12.420 1.00 0.00 C ATOM 713 CD2 LEU K 5 5.797 1.663 -10.780 1.00 0.00 C ATOM 0 H LEU K 5 3.746 1.353 -14.395 1.00 0.00 H new ATOM 0 HA LEU K 5 3.704 2.841 -11.814 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.820 2.888 -14.023 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.877 3.801 -12.528 1.00 0.00 H new ATOM 0 HG LEU K 5 5.832 0.749 -12.725 1.00 0.00 H new ATOM 0 HD11 LEU K 5 8.180 0.926 -11.921 1.00 0.00 H new ATOM 0 HD12 LEU K 5 7.972 1.762 -13.478 1.00 0.00 H new ATOM 0 HD13 LEU K 5 8.062 2.701 -11.968 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.268 0.811 -10.289 1.00 0.00 H new ATOM 0 HD22 LEU K 5 6.136 2.586 -10.309 1.00 0.00 H new ATOM 0 HD23 LEU K 5 4.714 1.584 -10.685 1.00 0.00 H new ATOM 725 N GLN K 6 2.694 4.830 -12.928 1.00 0.00 N ATOM 726 CA GLN K 6 2.084 5.997 -13.561 1.00 0.00 C ATOM 727 C GLN K 6 2.225 7.201 -12.636 1.00 0.00 C ATOM 728 O GLN K 6 1.617 7.252 -11.560 1.00 0.00 O ATOM 729 CB GLN K 6 0.608 5.712 -13.860 1.00 0.00 C ATOM 730 CG GLN K 6 0.002 6.869 -14.658 1.00 0.00 C ATOM 731 CD GLN K 6 -1.490 6.628 -14.869 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.217 6.339 -13.917 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.990 6.713 -16.073 1.00 0.00 N ATOM 0 H GLN K 6 2.539 4.764 -11.922 1.00 0.00 H new ATOM 0 HA GLN K 6 2.589 6.214 -14.502 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.515 4.783 -14.423 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.059 5.576 -12.928 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.156 7.809 -14.127 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.504 6.961 -15.621 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.387 6.952 -16.860 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.984 6.540 -16.226 1.00 0.00 H new ATOM 742 N ILE K 7 3.047 8.167 -13.054 1.00 0.00 N ATOM 743 CA ILE K 7 3.289 9.367 -12.253 1.00 0.00 C ATOM 744 C ILE K 7 3.164 10.624 -13.116 1.00 0.00 C ATOM 745 O ILE K 7 3.319 10.509 -14.320 1.00 0.00 O ATOM 746 CB ILE K 7 4.697 9.271 -11.610 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.787 9.719 -12.605 1.00 0.00 C ATOM 748 CG2 ILE K 7 4.966 7.822 -11.180 1.00 0.00 C ATOM 749 CD1 ILE K 7 7.174 9.428 -12.024 1.00 0.00 C ATOM 750 OXT ILE K 7 2.922 11.682 -12.558 1.00 0.00 O ATOM 0 H ILE K 7 3.554 8.141 -13.939 1.00 0.00 H new ATOM 0 HA ILE K 7 2.541 9.436 -11.464 1.00 0.00 H new ATOM 0 HB ILE K 7 4.726 9.930 -10.742 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.663 9.196 -13.553 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.686 10.784 -12.813 1.00 0.00 H new ATOM 0 HG21 ILE K 7 5.956 7.754 -10.728 1.00 0.00 H new ATOM 0 HG22 ILE K 7 4.214 7.512 -10.455 1.00 0.00 H new ATOM 0 HG23 ILE K 7 4.920 7.169 -12.052 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.939 9.747 -12.732 1.00 0.00 H new ATOM 0 HD12 ILE K 7 7.297 9.971 -11.087 1.00 0.00 H new ATOM 0 HD13 ILE K 7 7.274 8.358 -11.839 1.00 0.00 H new TER 762 ILE K 7 ATOM 763 N ILE O 1 -3.953 11.547 12.585 1.00 0.00 N ATOM 764 CA ILE O 1 -4.687 10.309 12.968 1.00 0.00 C ATOM 765 C ILE O 1 -3.801 9.096 12.685 1.00 0.00 C ATOM 766 O ILE O 1 -3.230 8.969 11.598 1.00 0.00 O ATOM 767 CB ILE O 1 -5.982 10.209 12.149 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.857 11.439 12.418 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.748 8.958 12.572 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.021 11.481 11.419 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.321 12.352 13.131 1.00 0.00 H new ATOM 0 H2 ILE O 1 -2.940 11.426 12.786 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.085 11.729 11.570 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.936 10.339 14.029 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.736 10.157 11.088 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.242 11.406 13.437 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.260 12.347 12.332 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.669 8.882 11.993 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.133 8.076 12.392 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.990 9.021 13.633 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.638 12.357 11.616 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.628 11.535 10.404 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.625 10.580 11.526 1.00 0.00 H new ATOM 784 N HIS O 2 -3.687 8.199 13.665 1.00 0.00 N ATOM 785 CA HIS O 2 -2.891 7.010 13.497 1.00 0.00 C ATOM 786 C HIS O 2 -3.811 5.797 13.512 1.00 0.00 C ATOM 787 O HIS O 2 -4.519 5.566 14.492 1.00 0.00 O ATOM 788 CB HIS O 2 -1.924 6.964 14.696 1.00 0.00 C ATOM 789 CG HIS O 2 -1.293 5.612 14.844 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.910 5.095 16.088 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.927 4.681 13.922 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.339 3.904 15.870 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.315 3.596 14.573 1.00 0.00 N ATOM 0 H HIS O 2 -4.139 8.284 14.576 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.340 7.011 12.556 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.147 7.717 14.566 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.463 7.217 15.609 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.042 5.544 16.994 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -1.082 4.763 12.856 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.055 3.269 16.650 1.00 0.00 H new ATOM 800 N VAL O 3 -3.772 4.999 12.443 1.00 0.00 N ATOM 801 CA VAL O 3 -4.583 3.784 12.383 1.00 0.00 C ATOM 802 C VAL O 3 -3.674 2.577 12.277 1.00 0.00 C ATOM 803 O VAL O 3 -2.898 2.473 11.328 1.00 0.00 O ATOM 804 CB VAL O 3 -5.512 3.837 11.167 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.358 2.562 11.130 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.425 5.072 11.265 1.00 0.00 C ATOM 0 H VAL O 3 -3.196 5.169 11.619 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.186 3.708 13.288 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.921 3.908 10.254 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -7.023 2.591 10.267 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.704 1.693 11.055 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.951 2.492 12.042 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -7.085 5.106 10.398 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -7.023 5.011 12.174 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.814 5.975 11.292 1.00 0.00 H new ATOM 816 N HIS O 4 -3.778 1.651 13.229 1.00 0.00 N ATOM 817 CA HIS O 4 -2.978 0.456 13.196 1.00 0.00 C ATOM 818 C HIS O 4 -3.848 -0.787 13.111 1.00 0.00 C ATOM 819 O HIS O 4 -4.783 -0.951 13.891 1.00 0.00 O ATOM 820 CB HIS O 4 -2.073 0.441 14.441 1.00 0.00 C ATOM 821 CG HIS O 4 -0.909 -0.479 14.212 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.429 -0.048 14.163 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.878 -1.819 14.015 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.187 -1.135 13.944 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.442 -2.243 13.850 1.00 0.00 N ATOM 0 H HIS O 4 -4.411 1.717 14.026 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.355 0.453 12.302 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.716 1.448 14.654 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.642 0.113 15.311 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.745 -2.463 13.989 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.263 -1.117 13.855 1.00 0.00 H new ATOM 0 HE2 HIS O 4 0.769 -3.196 13.691 1.00 0.00 H new ATOM 833 N LEU O 5 -3.517 -1.679 12.177 1.00 0.00 N ATOM 834 CA LEU O 5 -4.260 -2.930 12.015 1.00 0.00 C ATOM 835 C LEU O 5 -3.297 -4.091 12.174 1.00 0.00 C ATOM 836 O LEU O 5 -2.359 -4.239 11.389 1.00 0.00 O ATOM 837 CB LEU O 5 -4.916 -2.972 10.624 1.00 0.00 C ATOM 838 CG LEU O 5 -5.653 -4.312 10.366 1.00 0.00 C ATOM 839 CD1 LEU O 5 -4.673 -5.467 10.067 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.540 -4.669 11.570 1.00 0.00 C ATOM 0 H LEU O 5 -2.743 -1.560 11.524 1.00 0.00 H new ATOM 0 HA LEU O 5 -5.044 -2.998 12.769 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -5.622 -2.147 10.532 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -4.153 -2.825 9.859 1.00 0.00 H new ATOM 0 HG LEU O 5 -6.276 -4.176 9.482 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -5.235 -6.385 9.893 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -4.087 -5.226 9.180 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -4.005 -5.606 10.917 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -7.053 -5.612 11.378 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -5.921 -4.768 12.461 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -7.277 -3.881 11.726 1.00 0.00 H new ATOM 852 N GLN O 6 -3.541 -4.926 13.178 1.00 0.00 N ATOM 853 CA GLN O 6 -2.696 -6.093 13.419 1.00 0.00 C ATOM 854 C GLN O 6 -3.579 -7.308 13.664 1.00 0.00 C ATOM 855 O GLN O 6 -4.373 -7.323 14.604 1.00 0.00 O ATOM 856 CB GLN O 6 -1.787 -5.845 14.629 1.00 0.00 C ATOM 857 CG GLN O 6 -0.818 -7.018 14.803 1.00 0.00 C ATOM 858 CD GLN O 6 0.023 -6.818 16.061 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.516 -6.752 17.165 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.320 -6.711 15.955 1.00 0.00 N ATOM 0 H GLN O 6 -4.313 -4.819 13.836 1.00 0.00 H new ATOM 0 HA GLN O 6 -2.067 -6.273 12.547 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.229 -4.919 14.492 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.390 -5.724 15.529 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.374 -7.953 14.872 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.169 -7.097 13.931 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.763 -6.766 15.038 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.890 -6.572 16.789 1.00 0.00 H new ATOM 869 N ILE O 7 -3.448 -8.326 12.809 1.00 0.00 N ATOM 870 CA ILE O 7 -4.264 -9.538 12.952 1.00 0.00 C ATOM 871 C ILE O 7 -3.482 -10.777 12.521 1.00 0.00 C ATOM 872 O ILE O 7 -4.082 -11.836 12.448 1.00 0.00 O ATOM 873 CB ILE O 7 -5.553 -9.399 12.118 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.195 -9.213 10.636 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.354 -8.191 12.609 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.460 -9.217 9.767 1.00 0.00 C ATOM 877 OXT ILE O 7 -2.294 -10.646 12.274 1.00 0.00 O ATOM 0 H ILE O 7 -2.797 -8.338 12.023 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.528 -9.657 14.003 1.00 0.00 H new ATOM 0 HB ILE O 7 -6.154 -10.302 12.231 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -4.659 -8.274 10.502 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.525 -10.011 10.316 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -7.265 -8.094 12.018 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.615 -8.329 13.658 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -5.753 -7.288 12.501 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -6.183 -9.084 8.721 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -6.981 -10.167 9.887 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.116 -8.403 10.075 1.00 0.00 H new TER 889 ILE O 7 ATOM 890 N ILE Q 1 -1.305 11.676 8.536 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.004 10.414 8.909 1.00 0.00 C ATOM 892 C ILE Q 1 -1.076 9.233 8.656 1.00 0.00 C ATOM 893 O ILE Q 1 -0.527 9.077 7.556 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.285 10.272 8.071 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.209 11.452 8.385 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -3.993 8.961 8.430 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.370 11.494 7.387 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.443 12.384 9.285 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.289 11.489 8.420 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.695 12.038 7.642 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.273 10.437 9.965 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.035 10.264 7.010 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.595 11.361 9.400 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.647 12.385 8.340 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.901 8.863 7.835 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.330 8.121 8.222 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.252 8.966 9.489 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -6.020 12.337 7.620 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.977 11.607 6.377 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.940 10.567 7.453 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.899 8.389 9.673 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.045 7.208 9.511 1.00 0.00 C ATOM 913 C HIS Q 2 -0.921 5.962 9.549 1.00 0.00 C ATOM 914 O HIS Q 2 -1.618 5.722 10.535 1.00 0.00 O ATOM 915 CB HIS Q 2 0.986 7.145 10.664 1.00 0.00 C ATOM 916 CG HIS Q 2 2.203 7.988 10.352 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.465 7.430 10.180 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.377 9.345 10.200 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.326 8.435 9.940 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.715 9.622 9.941 1.00 0.00 N ATOM 0 H HIS Q 2 -1.322 8.494 10.595 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.486 7.265 8.561 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.525 7.494 11.588 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.289 6.111 10.830 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.592 10.084 10.271 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.383 8.298 9.767 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.139 10.537 9.785 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.846 5.140 8.499 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.605 3.892 8.464 1.00 0.00 C ATOM 930 C VAL Q 3 -0.636 2.713 8.435 1.00 0.00 C ATOM 931 O VAL Q 3 0.227 2.641 7.555 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.510 3.868 7.227 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.312 2.565 7.210 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.473 5.068 7.270 1.00 0.00 C ATOM 0 H VAL Q 3 -0.274 5.315 7.673 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.231 3.819 9.354 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.899 3.930 6.327 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.956 2.546 6.331 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.628 1.717 7.177 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.924 2.503 8.110 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.116 5.050 6.390 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -4.087 5.010 8.169 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.899 5.995 7.281 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.774 1.787 9.384 1.00 0.00 N ATOM 945 CA HIS Q 4 0.105 0.609 9.434 1.00 0.00 C ATOM 946 C HIS Q 4 -0.720 -0.676 9.281 1.00 0.00 C ATOM 947 O HIS Q 4 -1.703 -0.863 10.000 1.00 0.00 O ATOM 948 CB HIS Q 4 0.883 0.589 10.780 1.00 0.00 C ATOM 949 CG HIS Q 4 1.671 1.886 11.008 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.744 2.507 12.264 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.435 2.679 10.170 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.512 3.605 12.136 1.00 0.00 C ATOM 953 NE2 HIS Q 4 2.959 3.760 10.886 1.00 0.00 N ATOM 0 H HIS Q 4 -1.476 1.824 10.123 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.818 0.664 8.612 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.182 0.441 11.602 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.569 -0.258 10.790 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.602 2.491 9.120 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.740 4.281 12.947 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.314 -1.569 8.366 1.00 0.00 N ATOM 961 CA LEU Q 5 -1.036 -2.841 8.168 1.00 0.00 C ATOM 962 C LEU Q 5 -0.092 -4.018 8.390 1.00 0.00 C ATOM 963 O LEU Q 5 0.937 -4.124 7.720 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.572 -2.921 6.740 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.439 -1.704 6.422 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.916 -1.796 4.963 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -3.643 -1.657 7.376 1.00 0.00 C ATOM 0 H LEU Q 5 0.496 -1.441 7.759 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.860 -2.882 8.881 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -0.741 -2.976 6.037 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.156 -3.833 6.616 1.00 0.00 H new ATOM 0 HG LEU Q 5 -1.858 -0.791 6.554 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.536 -0.931 4.728 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -2.052 -1.815 4.298 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -3.499 -2.707 4.827 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -4.257 -0.787 7.144 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -4.237 -2.563 7.257 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -3.290 -1.588 8.405 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.451 -4.911 9.312 1.00 0.00 N ATOM 980 CA GLN Q 6 0.373 -6.088 9.588 1.00 0.00 C ATOM 981 C GLN Q 6 -0.519 -7.315 9.779 1.00 0.00 C ATOM 982 O GLN Q 6 -1.276 -7.404 10.751 1.00 0.00 O ATOM 983 CB GLN Q 6 1.222 -5.836 10.837 1.00 0.00 C ATOM 984 CG GLN Q 6 2.214 -6.986 11.030 1.00 0.00 C ATOM 985 CD GLN Q 6 2.997 -6.785 12.323 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.410 -6.532 13.374 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.301 -6.868 12.302 1.00 0.00 N ATOM 0 H GLN Q 6 -1.298 -4.844 9.876 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.037 -6.275 8.744 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.759 -4.893 10.739 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.579 -5.747 11.713 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.681 -7.936 11.062 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.899 -7.033 10.183 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.785 -7.078 11.429 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.835 -6.723 13.159 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.438 -8.269 8.844 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.265 -9.487 8.938 1.00 0.00 C ATOM 998 C ILE Q 7 -0.434 -10.730 8.617 1.00 0.00 C ATOM 999 O ILE Q 7 0.588 -10.584 7.969 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.488 -9.373 7.986 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.139 -9.916 6.586 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -2.927 -7.906 7.894 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.172 -9.448 5.557 1.00 0.00 C ATOM 1004 OXT ILE Q 7 -0.836 -11.809 9.026 1.00 0.00 O ATOM 0 H ILE Q 7 0.175 -8.229 8.030 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.631 -9.586 9.960 1.00 0.00 H new ATOM 0 HB ILE Q 7 -3.307 -9.971 8.386 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.146 -9.575 6.294 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -2.108 -11.005 6.609 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.785 -7.824 7.227 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.203 -7.546 8.885 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -2.106 -7.304 7.505 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -2.910 -9.840 4.574 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -4.159 -9.811 5.842 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.183 -8.359 5.522 1.00 0.00 H new TER 1016 ILE Q 7 ATOM 1017 N ILE S 1 1.811 11.731 4.654 1.00 0.00 N ATOM 1018 CA ILE S 1 1.053 10.484 4.955 1.00 0.00 C ATOM 1019 C ILE S 1 1.980 9.286 4.772 1.00 0.00 C ATOM 1020 O ILE S 1 2.654 9.159 3.739 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.133 10.367 3.992 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.050 11.582 4.164 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.920 9.097 4.308 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.078 11.623 3.027 1.00 0.00 C ATOM 0 H1 ILE S 1 1.573 12.460 5.356 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.832 11.535 4.692 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.559 12.070 3.704 1.00 0.00 H new ATOM 0 HA ILE S 1 0.684 10.511 5.980 1.00 0.00 H new ATOM 0 HB ILE S 1 0.235 10.326 2.967 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.560 11.531 5.126 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.459 12.498 4.165 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.764 9.012 3.624 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.271 8.229 4.193 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.287 9.142 5.333 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -2.727 12.489 3.155 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -1.560 11.696 2.071 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.678 10.713 3.046 1.00 0.00 H new ATOM 1038 N HIS S 2 2.008 8.395 5.770 1.00 0.00 N ATOM 1039 CA HIS S 2 2.840 7.216 5.684 1.00 0.00 C ATOM 1040 C HIS S 2 1.951 5.987 5.611 1.00 0.00 C ATOM 1041 O HIS S 2 1.157 5.739 6.518 1.00 0.00 O ATOM 1042 CB HIS S 2 3.693 7.166 6.969 1.00 0.00 C ATOM 1043 CG HIS S 2 4.356 5.824 7.128 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.606 5.236 8.380 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.872 4.966 6.206 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.250 4.084 8.161 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.443 3.860 6.863 1.00 0.00 N ATOM 0 H HIS S 2 1.467 8.476 6.631 1.00 0.00 H new ATOM 0 HA HIS S 2 3.477 7.243 4.800 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.452 7.948 6.936 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.063 7.369 7.835 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.847 5.111 5.136 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.575 3.415 8.944 1.00 0.00 H new ATOM 1054 N VAL S 3 2.117 5.189 4.556 1.00 0.00 N ATOM 1055 CA VAL S 3 1.350 3.954 4.419 1.00 0.00 C ATOM 1056 C VAL S 3 2.301 2.775 4.411 1.00 0.00 C ATOM 1057 O VAL S 3 3.165 2.694 3.535 1.00 0.00 O ATOM 1058 CB VAL S 3 0.566 3.976 3.108 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.239 2.682 2.982 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.380 5.184 3.091 1.00 0.00 C ATOM 0 H VAL S 3 2.768 5.374 3.793 1.00 0.00 H new ATOM 0 HA VAL S 3 0.655 3.865 5.254 1.00 0.00 H new ATOM 0 HB VAL S 3 1.257 4.056 2.269 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.801 2.692 2.048 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.440 1.829 2.988 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.931 2.601 3.820 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -0.937 5.196 2.154 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.076 5.113 3.927 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.201 6.102 3.180 1.00 0.00 H new ATOM 1070 N HIS S 4 2.138 1.847 5.352 1.00 0.00 N ATOM 1071 CA HIS S 4 2.976 0.679 5.391 1.00 0.00 C ATOM 1072 C HIS S 4 2.156 -0.591 5.237 1.00 0.00 C ATOM 1073 O HIS S 4 1.167 -0.782 5.946 1.00 0.00 O ATOM 1074 CB HIS S 4 3.774 0.691 6.704 1.00 0.00 C ATOM 1075 CG HIS S 4 4.969 -0.211 6.579 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.301 0.245 6.605 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.036 -1.554 6.438 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.089 -0.835 6.483 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.372 -1.959 6.380 1.00 0.00 N ATOM 0 H HIS S 4 1.434 1.892 6.088 1.00 0.00 H new ATOM 0 HA HIS S 4 3.672 0.697 4.553 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.095 1.706 6.936 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.142 0.361 7.528 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.184 -2.215 6.379 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.168 -0.800 6.470 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.726 -2.911 6.280 1.00 0.00 H new ATOM 1087 N LEU S 5 2.585 -1.471 4.329 1.00 0.00 N ATOM 1088 CA LEU S 5 1.892 -2.739 4.111 1.00 0.00 C ATOM 1089 C LEU S 5 2.853 -3.894 4.340 1.00 0.00 C ATOM 1090 O LEU S 5 3.834 -4.049 3.609 1.00 0.00 O ATOM 1091 CB LEU S 5 1.325 -2.783 2.678 1.00 0.00 C ATOM 1092 CG LEU S 5 0.648 -4.137 2.353 1.00 0.00 C ATOM 1093 CD1 LEU S 5 1.681 -5.251 2.073 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.281 -4.547 3.507 1.00 0.00 C ATOM 0 H LEU S 5 3.404 -1.329 3.737 1.00 0.00 H new ATOM 0 HA LEU S 5 1.065 -2.828 4.816 1.00 0.00 H new ATOM 0 HB2 LEU S 5 0.601 -1.978 2.552 1.00 0.00 H new ATOM 0 HB3 LEU S 5 2.130 -2.602 1.966 1.00 0.00 H new ATOM 0 HG LEU S 5 0.062 -4.005 1.443 1.00 0.00 H new ATOM 0 HD11 LEU S 5 1.160 -6.182 1.850 1.00 0.00 H new ATOM 0 HD12 LEU S 5 2.299 -4.968 1.221 1.00 0.00 H new ATOM 0 HD13 LEU S 5 2.313 -5.390 2.950 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -0.754 -5.500 3.272 1.00 0.00 H new ATOM 0 HD22 LEU S 5 0.300 -4.646 4.424 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -1.048 -3.785 3.644 1.00 0.00 H new ATOM 1106 N GLN S 6 2.555 -4.716 5.349 1.00 0.00 N ATOM 1107 CA GLN S 6 3.388 -5.878 5.663 1.00 0.00 C ATOM 1108 C GLN S 6 2.502 -7.102 5.865 1.00 0.00 C ATOM 1109 O GLN S 6 1.654 -7.139 6.763 1.00 0.00 O ATOM 1110 CB GLN S 6 4.202 -5.602 6.933 1.00 0.00 C ATOM 1111 CG GLN S 6 5.165 -6.763 7.196 1.00 0.00 C ATOM 1112 CD GLN S 6 5.909 -6.536 8.510 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.291 -6.473 9.574 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.207 -6.400 8.492 1.00 0.00 N ATOM 0 H GLN S 6 1.747 -4.599 5.960 1.00 0.00 H new ATOM 0 HA GLN S 6 4.074 -6.067 4.837 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.760 -4.672 6.823 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.533 -5.473 7.784 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.613 -7.702 7.239 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.877 -6.849 6.375 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.713 -6.453 7.608 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.715 -6.241 9.362 1.00 0.00 H new ATOM 1123 N ILE S 7 2.694 -8.112 5.020 1.00 0.00 N ATOM 1124 CA ILE S 7 1.890 -9.330 5.115 1.00 0.00 C ATOM 1125 C ILE S 7 2.738 -10.562 4.807 1.00 0.00 C ATOM 1126 O ILE S 7 2.171 -11.638 4.709 1.00 0.00 O ATOM 1127 CB ILE S 7 0.708 -9.225 4.137 1.00 0.00 C ATOM 1128 CG1 ILE S 7 1.234 -9.121 2.697 1.00 0.00 C ATOM 1129 CG2 ILE S 7 -0.117 -7.967 4.453 1.00 0.00 C ATOM 1130 CD1 ILE S 7 0.074 -9.163 1.699 1.00 0.00 C ATOM 1131 OXT ILE S 7 3.940 -10.410 4.670 1.00 0.00 O ATOM 0 H ILE S 7 3.388 -8.114 4.272 1.00 0.00 H new ATOM 0 HA ILE S 7 1.511 -9.436 6.132 1.00 0.00 H new ATOM 0 HB ILE S 7 0.084 -10.113 4.241 1.00 0.00 H new ATOM 0 HG12 ILE S 7 1.794 -8.194 2.574 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.925 -9.940 2.496 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.954 -7.896 3.758 1.00 0.00 H new ATOM 0 HG22 ILE S 7 -0.497 -8.028 5.473 1.00 0.00 H new ATOM 0 HG23 ILE S 7 0.514 -7.084 4.353 1.00 0.00 H new ATOM 0 HD11 ILE S 7 0.464 -9.088 0.684 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -0.468 -10.102 1.811 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.601 -8.329 1.890 1.00 0.00 H new TER 1143 ILE S 7 ATOM 1144 N ILE U 1 4.560 11.801 0.566 1.00 0.00 N ATOM 1145 CA ILE U 1 3.849 10.534 0.896 1.00 0.00 C ATOM 1146 C ILE U 1 4.793 9.361 0.690 1.00 0.00 C ATOM 1147 O ILE U 1 5.370 9.193 -0.394 1.00 0.00 O ATOM 1148 CB ILE U 1 2.627 10.383 -0.020 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.681 11.563 0.230 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.903 9.070 0.294 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.589 11.598 -0.840 1.00 0.00 C ATOM 0 H1 ILE U 1 4.174 12.576 1.142 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.575 11.692 0.767 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.428 12.021 -0.442 1.00 0.00 H new ATOM 0 HA ILE U 1 3.520 10.556 1.935 1.00 0.00 H new ATOM 0 HB ILE U 1 2.944 10.371 -1.063 1.00 0.00 H new ATOM 0 HG12 ILE U 1 1.230 11.474 1.218 1.00 0.00 H new ATOM 0 HG13 ILE U 1 2.242 12.497 0.219 1.00 0.00 H new ATOM 0 HG21 ILE U 1 1.036 8.967 -0.359 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.581 8.232 0.131 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.576 9.075 1.334 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.077 12.440 -0.653 1.00 0.00 H new ATOM 0 HD12 ILE U 1 1.046 11.709 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE U 1 0.018 10.670 -0.808 1.00 0.00 H new ATOM 1165 N HIS U 2 4.940 8.526 1.723 1.00 0.00 N ATOM 1166 CA HIS U 2 5.803 7.349 1.601 1.00 0.00 C ATOM 1167 C HIS U 2 4.940 6.093 1.615 1.00 0.00 C ATOM 1168 O HIS U 2 4.205 5.854 2.573 1.00 0.00 O ATOM 1169 CB HIS U 2 6.793 7.301 2.790 1.00 0.00 C ATOM 1170 CG HIS U 2 8.022 8.138 2.509 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.289 7.576 2.380 1.00 0.00 N ATOM 1172 CD2 HIS U 2 8.203 9.493 2.356 1.00 0.00 C ATOM 1173 CE1 HIS U 2 10.159 8.580 2.163 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.550 9.768 2.139 1.00 0.00 N ATOM 0 H HIS U 2 4.486 8.638 2.630 1.00 0.00 H new ATOM 0 HA HIS U 2 6.363 7.405 0.667 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.301 7.664 3.692 1.00 0.00 H new ATOM 0 HB3 HIS U 2 7.088 6.269 2.981 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.417 10.233 2.398 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.221 8.441 2.025 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.980 10.681 1.993 1.00 0.00 H new ATOM 1182 N VAL U 3 5.064 5.267 0.573 1.00 0.00 N ATOM 1183 CA VAL U 3 4.324 4.009 0.510 1.00 0.00 C ATOM 1184 C VAL U 3 5.307 2.842 0.531 1.00 0.00 C ATOM 1185 O VAL U 3 6.208 2.779 -0.310 1.00 0.00 O ATOM 1186 CB VAL U 3 3.481 3.974 -0.769 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.698 2.663 -0.830 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.502 5.156 -0.770 1.00 0.00 C ATOM 0 H VAL U 3 5.665 5.446 -0.231 1.00 0.00 H new ATOM 0 HA VAL U 3 3.660 3.928 1.370 1.00 0.00 H new ATOM 0 HB VAL U 3 4.137 4.045 -1.637 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.099 2.639 -1.740 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.393 1.824 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.043 2.590 0.038 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.902 5.131 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.847 5.087 0.098 1.00 0.00 H new ATOM 0 HG23 VAL U 3 3.061 6.091 -0.729 1.00 0.00 H new ATOM 1198 N HIS U 4 5.142 1.917 1.479 1.00 0.00 N ATOM 1199 CA HIS U 4 6.034 0.750 1.568 1.00 0.00 C ATOM 1200 C HIS U 4 5.235 -0.545 1.375 1.00 0.00 C ATOM 1201 O HIS U 4 4.225 -0.748 2.049 1.00 0.00 O ATOM 1202 CB HIS U 4 6.746 0.743 2.954 1.00 0.00 C ATOM 1203 CG HIS U 4 7.520 2.043 3.205 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.541 2.688 4.455 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.313 2.827 2.386 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.308 3.786 4.337 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.802 3.921 3.104 1.00 0.00 N ATOM 0 H HIS U 4 4.410 1.948 2.189 1.00 0.00 H new ATOM 0 HA HIS U 4 6.785 0.812 0.780 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.006 0.603 3.742 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.431 -0.103 3.006 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.523 2.623 1.346 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.502 4.477 5.144 1.00 0.00 H new ATOM 1214 N LEU U 5 5.694 -1.429 0.475 1.00 0.00 N ATOM 1215 CA LEU U 5 4.998 -2.711 0.238 1.00 0.00 C ATOM 1216 C LEU U 5 5.943 -3.879 0.499 1.00 0.00 C ATOM 1217 O LEU U 5 6.990 -3.992 -0.142 1.00 0.00 O ATOM 1218 CB LEU U 5 4.521 -2.797 -1.207 1.00 0.00 C ATOM 1219 CG LEU U 5 3.648 -1.593 -1.564 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.229 -1.699 -3.042 1.00 0.00 C ATOM 1221 CD2 LEU U 5 2.408 -1.560 -0.658 1.00 0.00 C ATOM 0 H LEU U 5 6.529 -1.287 -0.093 1.00 0.00 H new ATOM 0 HA LEU U 5 4.145 -2.760 0.914 1.00 0.00 H new ATOM 0 HB2 LEU U 5 5.380 -2.840 -1.876 1.00 0.00 H new ATOM 0 HB3 LEU U 5 3.956 -3.718 -1.354 1.00 0.00 H new ATOM 0 HG LEU U 5 4.210 -0.671 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.606 -0.844 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU U 5 4.118 -1.708 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU U 5 2.666 -2.620 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU U 5 1.791 -0.700 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU U 5 1.832 -2.475 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU U 5 2.720 -1.481 0.383 1.00 0.00 H new ATOM 1233 N GLN U 6 5.562 -4.759 1.421 1.00 0.00 N ATOM 1234 CA GLN U 6 6.379 -5.930 1.738 1.00 0.00 C ATOM 1235 C GLN U 6 5.477 -7.148 1.919 1.00 0.00 C ATOM 1236 O GLN U 6 4.686 -7.218 2.868 1.00 0.00 O ATOM 1237 CB GLN U 6 7.181 -5.661 3.016 1.00 0.00 C ATOM 1238 CG GLN U 6 8.144 -6.820 3.281 1.00 0.00 C ATOM 1239 CD GLN U 6 8.875 -6.595 4.603 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.243 -6.358 5.636 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.180 -6.645 4.626 1.00 0.00 N ATOM 0 H GLN U 6 4.699 -4.686 1.959 1.00 0.00 H new ATOM 0 HA GLN U 6 7.074 -6.128 0.922 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.738 -4.729 2.917 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.504 -5.539 3.861 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.594 -7.761 3.315 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.864 -6.900 2.466 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.698 -6.841 3.770 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.681 -6.488 5.500 1.00 0.00 H new ATOM 1250 N ILE U 7 5.589 -8.113 0.997 1.00 0.00 N ATOM 1251 CA ILE U 7 4.763 -9.329 1.063 1.00 0.00 C ATOM 1252 C ILE U 7 5.619 -10.574 0.822 1.00 0.00 C ATOM 1253 O ILE U 7 6.681 -10.435 0.239 1.00 0.00 O ATOM 1254 CB ILE U 7 3.612 -9.240 0.028 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.078 -9.766 -1.342 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.151 -7.782 -0.098 1.00 0.00 C ATOM 1257 CD1 ILE U 7 3.088 -9.358 -2.437 1.00 0.00 C ATOM 1258 OXT ILE U 7 5.196 -11.647 1.221 1.00 0.00 O ATOM 0 H ILE U 7 6.233 -8.079 0.207 1.00 0.00 H new ATOM 0 HA ILE U 7 4.329 -9.409 2.060 1.00 0.00 H new ATOM 0 HB ILE U 7 2.780 -9.856 0.368 1.00 0.00 H new ATOM 0 HG12 ILE U 7 5.068 -9.371 -1.572 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.167 -10.852 -1.310 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.342 -7.718 -0.825 1.00 0.00 H new ATOM 0 HG22 ILE U 7 2.798 -7.427 0.870 1.00 0.00 H new ATOM 0 HG23 ILE U 7 3.986 -7.164 -0.428 1.00 0.00 H new ATOM 0 HD11 ILE U 7 3.432 -9.738 -3.399 1.00 0.00 H new ATOM 0 HD12 ILE U 7 2.106 -9.774 -2.213 1.00 0.00 H new ATOM 0 HD13 ILE U 7 3.020 -8.271 -2.479 1.00 0.00 H new TER 1270 ILE U 7 ATOM 1271 N ILE W 1 7.741 11.802 -3.186 1.00 0.00 N ATOM 1272 CA ILE W 1 6.966 10.552 -2.937 1.00 0.00 C ATOM 1273 C ILE W 1 7.899 9.359 -3.070 1.00 0.00 C ATOM 1274 O ILE W 1 8.610 9.231 -4.071 1.00 0.00 O ATOM 1275 CB ILE W 1 5.846 10.431 -3.975 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.921 11.646 -3.864 1.00 0.00 C ATOM 1277 CG2 ILE W 1 5.041 9.162 -3.707 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.979 11.697 -5.073 1.00 0.00 C ATOM 0 H1 ILE W 1 7.267 12.603 -2.721 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.702 11.697 -2.801 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.795 11.979 -4.209 1.00 0.00 H new ATOM 0 HA ILE W 1 6.534 10.580 -1.936 1.00 0.00 H new ATOM 0 HB ILE W 1 6.278 10.386 -4.975 1.00 0.00 H new ATOM 0 HG12 ILE W 1 4.341 11.590 -2.943 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.512 12.561 -3.814 1.00 0.00 H new ATOM 0 HG21 ILE W 1 4.243 9.074 -4.445 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.696 8.294 -3.776 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.607 9.210 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE W 1 3.324 12.564 -4.987 1.00 0.00 H new ATOM 0 HD12 ILE W 1 4.566 11.775 -5.988 1.00 0.00 H new ATOM 0 HD13 ILE W 1 3.377 10.789 -5.104 1.00 0.00 H new ATOM 1292 N HIS W 2 7.886 8.472 -2.073 1.00 0.00 N ATOM 1293 CA HIS W 2 8.724 7.294 -2.125 1.00 0.00 C ATOM 1294 C HIS W 2 7.842 6.061 -2.248 1.00 0.00 C ATOM 1295 O HIS W 2 7.003 5.806 -1.384 1.00 0.00 O ATOM 1296 CB HIS W 2 9.521 7.229 -0.805 1.00 0.00 C ATOM 1297 CG HIS W 2 10.209 5.900 -0.667 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.484 5.298 0.570 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.713 5.061 -1.612 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.132 4.151 0.320 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.301 3.954 -0.991 1.00 0.00 N ATOM 0 H HIS W 2 7.310 8.553 -1.235 1.00 0.00 H new ATOM 0 HA HIS W 2 9.401 7.334 -2.978 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.259 8.031 -0.780 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.850 7.387 0.039 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.666 5.225 -2.679 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.475 3.470 1.084 1.00 0.00 H new ATOM 1308 N VAL W 3 8.064 5.271 -3.299 1.00 0.00 N ATOM 1309 CA VAL W 3 7.312 4.035 -3.489 1.00 0.00 C ATOM 1310 C VAL W 3 8.270 2.862 -3.453 1.00 0.00 C ATOM 1311 O VAL W 3 9.173 2.790 -4.288 1.00 0.00 O ATOM 1312 CB VAL W 3 6.609 4.067 -4.846 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.818 2.774 -5.037 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.662 5.270 -4.912 1.00 0.00 C ATOM 0 H VAL W 3 8.753 5.465 -4.025 1.00 0.00 H new ATOM 0 HA VAL W 3 6.570 3.934 -2.697 1.00 0.00 H new ATOM 0 HB VAL W 3 7.353 4.158 -5.638 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.316 2.794 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.498 1.923 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL W 3 5.076 2.681 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL W 3 5.164 5.288 -5.881 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.916 5.189 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL W 3 6.232 6.190 -4.780 1.00 0.00 H new ATOM 1324 N HIS W 4 8.065 1.924 -2.528 1.00 0.00 N ATOM 1325 CA HIS W 4 8.912 0.762 -2.460 1.00 0.00 C ATOM 1326 C HIS W 4 8.110 -0.513 -2.668 1.00 0.00 C ATOM 1327 O HIS W 4 7.091 -0.723 -2.009 1.00 0.00 O ATOM 1328 CB HIS W 4 9.652 0.772 -1.111 1.00 0.00 C ATOM 1329 CG HIS W 4 10.850 -0.133 -1.180 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.179 0.312 -1.055 1.00 0.00 N ATOM 1331 CD2 HIS W 4 10.918 -1.474 -1.355 1.00 0.00 C ATOM 1332 CE1 HIS W 4 12.968 -0.769 -1.159 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.253 -1.885 -1.339 1.00 0.00 N ATOM 0 H HIS W 4 7.324 1.956 -1.828 1.00 0.00 H new ATOM 0 HA HIS W 4 9.648 0.791 -3.263 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.965 1.787 -0.865 1.00 0.00 H new ATOM 0 HB3 HIS W 4 8.982 0.444 -0.316 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.068 -2.127 -1.487 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.046 -0.741 -1.104 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.608 -2.836 -1.443 1.00 0.00 H new ATOM 1341 N LEU W 5 8.587 -1.378 -3.570 1.00 0.00 N ATOM 1342 CA LEU W 5 7.911 -2.647 -3.839 1.00 0.00 C ATOM 1343 C LEU W 5 8.858 -3.809 -3.583 1.00 0.00 C ATOM 1344 O LEU W 5 9.850 -3.983 -4.296 1.00 0.00 O ATOM 1345 CB LEU W 5 7.402 -2.666 -5.295 1.00 0.00 C ATOM 1346 CG LEU W 5 6.739 -4.016 -5.670 1.00 0.00 C ATOM 1347 CD1 LEU W 5 7.787 -5.119 -5.946 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.783 -4.458 -4.553 1.00 0.00 C ATOM 0 H LEU W 5 9.431 -1.223 -4.121 1.00 0.00 H new ATOM 0 HA LEU W 5 7.057 -2.750 -3.170 1.00 0.00 H new ATOM 0 HB2 LEU W 5 6.683 -1.859 -5.436 1.00 0.00 H new ATOM 0 HB3 LEU W 5 8.235 -2.473 -5.971 1.00 0.00 H new ATOM 0 HG LEU W 5 6.177 -3.864 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU W 5 7.278 -6.048 -6.205 1.00 0.00 H new ATOM 0 HD12 LEU W 5 8.428 -4.813 -6.773 1.00 0.00 H new ATOM 0 HD13 LEU W 5 8.395 -5.275 -5.055 1.00 0.00 H new ATOM 0 HD21 LEU W 5 5.321 -5.407 -4.824 1.00 0.00 H new ATOM 0 HD22 LEU W 5 6.340 -4.578 -3.624 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.008 -3.703 -4.417 1.00 0.00 H new ATOM 1360 N GLN W 6 8.528 -4.618 -2.571 1.00 0.00 N ATOM 1361 CA GLN W 6 9.336 -5.789 -2.224 1.00 0.00 C ATOM 1362 C GLN W 6 8.433 -7.007 -2.060 1.00 0.00 C ATOM 1363 O GLN W 6 7.553 -7.040 -1.186 1.00 0.00 O ATOM 1364 CB GLN W 6 10.103 -5.523 -0.923 1.00 0.00 C ATOM 1365 CG GLN W 6 11.029 -6.702 -0.611 1.00 0.00 C ATOM 1366 CD GLN W 6 11.728 -6.481 0.728 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.077 -6.413 1.773 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.027 -6.350 0.753 1.00 0.00 N ATOM 0 H GLN W 6 7.708 -4.483 -1.979 1.00 0.00 H new ATOM 0 HA GLN W 6 10.051 -5.983 -3.023 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.686 -4.607 -1.016 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.402 -5.373 -0.102 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.454 -7.628 -0.581 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.770 -6.812 -1.403 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.562 -6.407 -0.114 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.507 -6.191 1.639 1.00 0.00 H new ATOM 1377 N ILE W 7 8.654 -8.013 -2.910 1.00 0.00 N ATOM 1378 CA ILE W 7 7.851 -9.234 -2.866 1.00 0.00 C ATOM 1379 C ILE W 7 8.722 -10.465 -3.108 1.00 0.00 C ATOM 1380 O ILE W 7 8.167 -11.547 -3.211 1.00 0.00 O ATOM 1381 CB ILE W 7 6.738 -9.139 -3.925 1.00 0.00 C ATOM 1382 CG1 ILE W 7 7.353 -9.079 -5.336 1.00 0.00 C ATOM 1383 CG2 ILE W 7 5.915 -7.858 -3.694 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.251 -9.126 -6.405 1.00 0.00 C ATOM 1385 OXT ILE W 7 9.929 -10.305 -3.193 1.00 0.00 O ATOM 0 H ILE W 7 9.376 -8.006 -3.630 1.00 0.00 H new ATOM 0 HA ILE W 7 7.404 -9.336 -1.877 1.00 0.00 H new ATOM 0 HB ILE W 7 6.099 -10.018 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE W 7 7.936 -8.165 -5.446 1.00 0.00 H new ATOM 0 HG13 ILE W 7 8.040 -9.914 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.127 -7.791 -4.444 1.00 0.00 H new ATOM 0 HG22 ILE W 7 5.468 -7.887 -2.700 1.00 0.00 H new ATOM 0 HG23 ILE W 7 6.566 -6.988 -3.774 1.00 0.00 H new ATOM 0 HD11 ILE W 7 6.703 -9.083 -7.396 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.686 -10.053 -6.304 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.581 -8.276 -6.274 1.00 0.00 H new TER 1397 ILE W 7 ATOM 1398 N ILE Y 1 10.426 11.795 -7.196 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.691 10.517 -6.967 1.00 0.00 C ATOM 1400 C ILE Y 1 10.655 9.356 -7.119 1.00 0.00 C ATOM 1401 O ILE Y 1 11.273 9.196 -8.173 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.565 10.385 -8.005 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.601 11.559 -7.822 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.809 9.068 -7.810 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.620 11.602 -8.989 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.937 12.570 -6.704 1.00 0.00 H new ATOM 0 H2 ILE Y 1 11.395 11.709 -6.829 1.00 0.00 H new ATOM 0 H3 ILE Y 1 10.459 11.999 -8.215 1.00 0.00 H new ATOM 0 HA ILE Y 1 9.264 10.511 -5.964 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.991 10.393 -9.008 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 7.059 11.455 -6.882 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 8.158 12.495 -7.767 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 7.015 8.991 -8.553 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.498 8.232 -7.927 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 7.374 9.043 -6.811 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.934 12.439 -8.857 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 7.170 11.727 -9.922 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 6.054 10.671 -9.023 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.764 8.521 -6.084 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.643 7.353 -6.165 1.00 0.00 C ATOM 1421 C HIS Y 2 10.782 6.095 -6.214 1.00 0.00 C ATOM 1422 O HIS Y 2 9.987 5.846 -5.309 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.552 7.295 -4.914 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.795 8.130 -5.107 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 15.064 7.566 -5.152 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.986 9.486 -5.235 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.948 8.571 -5.301 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.344 9.761 -5.357 1.00 0.00 N ATOM 0 H HIS Y 2 10.267 8.627 -5.199 1.00 0.00 H new ATOM 0 HA HIS Y 2 12.263 7.422 -7.058 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 12.002 7.652 -4.044 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.832 6.261 -4.712 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 13.200 10.226 -5.240 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 17.017 8.432 -5.367 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.784 10.675 -5.466 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.977 5.283 -7.253 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.244 4.025 -7.384 1.00 0.00 C ATOM 1438 C VAL Y 3 11.235 2.863 -7.306 1.00 0.00 C ATOM 1439 O VAL Y 3 12.193 2.822 -8.078 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.502 4.013 -8.730 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.734 2.702 -8.885 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.517 5.192 -8.795 1.00 0.00 C ATOM 0 H VAL Y 3 11.632 5.472 -8.011 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.515 3.923 -6.580 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.230 4.105 -9.536 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.210 2.698 -9.841 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.432 1.865 -8.851 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.012 2.605 -8.074 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.995 5.177 -9.752 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.793 5.106 -7.985 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 9.064 6.129 -8.695 1.00 0.00 H new ATOM 1452 N HIS Y 4 11.013 1.915 -6.389 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.916 0.756 -6.257 1.00 0.00 C ATOM 1454 C HIS Y 4 11.152 -0.545 -6.533 1.00 0.00 C ATOM 1455 O HIS Y 4 10.095 -0.779 -5.947 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.539 0.716 -4.832 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.270 2.017 -4.488 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.201 2.608 -3.215 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.098 2.841 -5.226 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.959 3.723 -3.243 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.527 3.912 -4.440 1.00 0.00 N ATOM 0 H HIS Y 4 10.230 1.922 -5.735 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.718 0.856 -6.988 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.753 0.537 -4.098 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.235 -0.120 -4.764 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.373 2.680 -6.258 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.092 4.385 -2.400 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.696 -1.403 -7.409 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.048 -2.688 -7.732 1.00 0.00 C ATOM 1470 C LEU Y 5 11.975 -3.848 -7.392 1.00 0.00 C ATOM 1471 O LEU Y 5 13.082 -3.942 -7.924 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.717 -2.746 -9.225 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.840 -1.552 -9.625 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.542 -1.621 -11.132 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 8.526 -1.571 -8.825 1.00 0.00 C ATOM 0 H LEU Y 5 12.573 -1.236 -7.903 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.133 -2.767 -7.145 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 11.638 -2.741 -9.809 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 10.200 -3.678 -9.453 1.00 0.00 H new ATOM 0 HG LEU Y 5 10.369 -0.625 -9.404 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.919 -0.774 -11.419 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 10.478 -1.589 -11.690 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 9.018 -2.550 -11.357 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 7.911 -0.720 -9.116 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 7.987 -2.496 -9.032 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 8.748 -1.511 -7.760 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.513 -4.744 -6.522 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.307 -5.912 -6.144 1.00 0.00 C ATOM 1489 C GLN Y 6 11.394 -7.127 -6.041 1.00 0.00 C ATOM 1490 O GLN Y 6 10.539 -7.204 -5.152 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.011 -5.646 -4.810 1.00 0.00 C ATOM 1492 CG GLN Y 6 13.970 -6.794 -4.486 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.605 -6.572 -3.114 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 13.907 -6.290 -2.139 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 15.899 -6.672 -2.983 1.00 0.00 N ATOM 0 H GLN Y 6 10.601 -4.685 -6.069 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.067 -6.107 -6.901 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.560 -4.706 -4.860 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.273 -5.542 -4.014 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.433 -7.742 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 14.746 -6.857 -5.249 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.477 -6.906 -3.790 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.333 -6.517 -2.073 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.571 -8.074 -6.967 1.00 0.00 N ATOM 1505 CA ILE Y 7 10.747 -9.283 -6.993 1.00 0.00 C ATOM 1506 C ILE Y 7 11.623 -10.528 -7.148 1.00 0.00 C ATOM 1507 O ILE Y 7 12.732 -10.391 -7.636 1.00 0.00 O ATOM 1508 CB ILE Y 7 9.724 -9.179 -8.153 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.363 -9.601 -9.494 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.220 -7.734 -8.267 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.396 -9.306 -10.646 1.00 0.00 C ATOM 1512 OXT ILE Y 7 11.167 -11.599 -6.781 1.00 0.00 O ATOM 0 H ILE Y 7 12.274 -8.026 -7.704 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.208 -9.373 -6.050 1.00 0.00 H new ATOM 0 HB ILE Y 7 8.893 -9.850 -7.936 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 11.299 -9.064 -9.646 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 10.605 -10.664 -9.473 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.501 -7.663 -9.083 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 8.739 -7.442 -7.333 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 10.061 -7.070 -8.466 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 9.852 -9.606 -11.590 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 8.471 -9.863 -10.497 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.176 -8.239 -10.672 1.00 0.00 H new TER 1524 ILE Y 7 HETATM 1525 ZN ZN A 101 -13.975 -2.005 2.864 1.00 0.00 ZN HETATM 1526 ZN ZN C 101 -10.943 -5.702 -1.162 1.00 0.00 ZN HETATM 1527 ZN ZN E 101 -8.183 -2.100 -4.763 1.00 0.00 ZN HETATM 1528 ZN ZN G 101 -5.104 -5.701 -8.872 1.00 0.00 ZN HETATM 1529 ZN ZN I 101 -2.435 -2.063 -12.467 1.00 0.00 ZN HETATM 1530 ZN ZN K 101 0.456 -5.470 -16.585 1.00 0.00 ZN HETATM 1531 ZN ZN O 101 0.880 1.818 14.049 1.00 0.00 ZN HETATM 1532 ZN ZN Q 101 3.958 5.600 10.158 1.00 0.00 ZN HETATM 1533 ZN ZN S 101 6.763 2.127 6.439 1.00 0.00 ZN HETATM 1534 ZN ZN U 101 9.801 5.729 2.344 1.00 0.00 ZN HETATM 1535 ZN ZN W 101 12.532 2.221 -1.112 1.00 0.00 ZN HETATM 1536 ZN ZN Y 101 15.526 5.484 -5.013 1.00 0.00 ZN