USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=10 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= 0.512 K(o=2.1,f=0.88) USER MOD Set 1.2: Q 6 GLN : amide:sc= 1.05 K(o=2.1,f=-4.5!) USER MOD Set 1.3: S 6 GLN : amide:sc= 1.13 K(o=2.1,f=-7.7!) USER MOD Set 1.4: U 6 GLN : amide:sc= 0.245 K(o=2.1,f=-7.2!) USER MOD Set 1.5: W 6 GLN : amide:sc= 0.0412 K(o=2.1,f=-9!) USER MOD Set 1.6: Y 6 GLN : amide:sc= -0.845 K(o=2.1,f=-6.1!) USER MOD Set 2.1: A 6 GLN : amide:sc= 0.519 K(o=1.9,f=0.76) USER MOD Set 2.2: C 6 GLN : amide:sc= 1.25 K(o=1.9,f=-4.5!) USER MOD Set 2.3: E 6 GLN : amide:sc= 0.692 K(o=1.9,f=-8.7!) USER MOD Set 2.4: G 6 GLN : amide:sc= 0.201 K(o=1.9,f=-7.4!) USER MOD Set 2.5: I 6 GLN : amide:sc= 0.0957 K(o=1.9,f=-10!) USER MOD Set 2.6: K 6 GLN : amide:sc= -0.813 K(o=1.9,f=-6.4!) USER MOD Single : A 1 ILE N :NH3+ -127:sc= -0.089 (180deg=-1.38) USER MOD Single : C 1 ILE N :NH3+ 153:sc= -0.0816 (180deg=-0.713) USER MOD Single : E 1 ILE N :NH3+ -119:sc= -0.032 (180deg=-0.578) USER MOD Single : G 1 ILE N :NH3+ 151:sc= -0.11 (180deg=-1.06) USER MOD Single : I 1 ILE N :NH3+ -116:sc= -0.0157 (180deg=-0.364) USER MOD Single : K 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : O 1 ILE N :NH3+ -121:sc= -0.0726 (180deg=-1.72) USER MOD Single : Q 1 ILE N :NH3+ -123:sc= -0.176 (180deg=-1.47!) USER MOD Single : S 1 ILE N :NH3+ -119:sc= -0.0518 (180deg=-0.738) USER MOD Single : U 1 ILE N :NH3+ 148:sc= -0.148 (180deg=-1.2) USER MOD Single : W 1 ILE N :NH3+ -116:sc= -0.0388 (180deg=-0.358) USER MOD Single : Y 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.242 -11.768 7.432 1.00 0.00 N ATOM 2 CA ILE A 1 -11.675 -10.530 8.141 1.00 0.00 C ATOM 3 C ILE A 1 -11.654 -9.356 7.170 1.00 0.00 C ATOM 4 O ILE A 1 -10.785 -9.266 6.299 1.00 0.00 O ATOM 5 CB ILE A 1 -10.730 -10.253 9.328 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.910 -11.354 10.378 1.00 0.00 C ATOM 7 CG2 ILE A 1 -11.065 -8.898 9.949 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.771 -11.279 11.395 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.954 -12.514 7.569 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.141 -11.569 6.416 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.329 -12.086 7.815 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.688 -10.662 8.520 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.698 -10.241 8.978 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.870 -11.238 10.882 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.919 -12.332 9.897 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -10.395 -8.706 10.787 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.943 -8.115 9.201 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -12.096 -8.905 10.303 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.898 -12.062 12.142 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.818 -11.416 10.884 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -9.784 -10.305 11.884 1.00 0.00 H new ATOM 22 N HIS A 2 -12.617 -8.447 7.323 1.00 0.00 N ATOM 23 CA HIS A 2 -12.678 -7.277 6.491 1.00 0.00 C ATOM 24 C HIS A 2 -12.450 -6.055 7.375 1.00 0.00 C ATOM 25 O HIS A 2 -13.215 -5.827 8.312 1.00 0.00 O ATOM 26 CB HIS A 2 -14.094 -7.246 5.882 1.00 0.00 C ATOM 27 CG HIS A 2 -14.415 -5.899 5.311 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.715 -5.375 5.301 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.631 -4.971 4.696 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.662 -4.184 4.694 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.424 -3.881 4.301 1.00 0.00 N ATOM 0 H HIS A 2 -13.359 -8.511 8.020 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.927 -7.284 5.701 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -14.172 -8.002 5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.826 -7.502 6.648 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.548 -5.820 5.686 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.566 -5.059 4.537 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.519 -3.545 4.541 1.00 0.00 H new ATOM 38 N VAL A 3 -11.428 -5.250 7.070 1.00 0.00 N ATOM 39 CA VAL A 3 -11.169 -4.038 7.852 1.00 0.00 C ATOM 40 C VAL A 3 -11.275 -2.809 6.956 1.00 0.00 C ATOM 41 O VAL A 3 -10.543 -2.707 5.967 1.00 0.00 O ATOM 42 CB VAL A 3 -9.779 -4.110 8.479 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.576 -2.891 9.373 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.648 -5.394 9.309 1.00 0.00 C ATOM 0 H VAL A 3 -10.777 -5.411 6.301 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.912 -3.962 8.646 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.022 -4.121 7.695 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.585 -2.933 9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.664 -1.983 8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.333 -2.884 10.157 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.654 -5.440 9.754 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.399 -5.395 10.099 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.797 -6.260 8.665 1.00 0.00 H new ATOM 54 N HIS A 4 -12.156 -1.863 7.297 1.00 0.00 N ATOM 55 CA HIS A 4 -12.297 -0.656 6.511 1.00 0.00 C ATOM 56 C HIS A 4 -11.968 0.602 7.322 1.00 0.00 C ATOM 57 O HIS A 4 -12.481 0.792 8.422 1.00 0.00 O ATOM 58 CB HIS A 4 -13.728 -0.614 5.942 1.00 0.00 C ATOM 59 CG HIS A 4 -13.754 0.235 4.703 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.080 -0.253 3.425 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.479 1.550 4.543 1.00 0.00 C ATOM 62 CE1 HIS A 4 -13.985 0.780 2.574 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.625 1.905 3.201 1.00 0.00 N ATOM 0 H HIS A 4 -12.773 -1.918 8.107 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.578 -0.672 5.692 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.068 -1.623 5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.414 -0.210 6.686 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.190 2.224 5.335 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.176 0.711 1.513 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.487 2.827 2.787 1.00 0.00 H new ATOM 71 N LEU A 5 -11.123 1.468 6.747 1.00 0.00 N ATOM 72 CA LEU A 5 -10.730 2.725 7.398 1.00 0.00 C ATOM 73 C LEU A 5 -11.083 3.900 6.496 1.00 0.00 C ATOM 74 O LEU A 5 -10.557 4.019 5.388 1.00 0.00 O ATOM 75 CB LEU A 5 -9.225 2.718 7.640 1.00 0.00 C ATOM 76 CG LEU A 5 -8.837 1.476 8.451 1.00 0.00 C ATOM 77 CD1 LEU A 5 -7.310 1.447 8.648 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.553 1.496 9.814 1.00 0.00 C ATOM 0 H LEU A 5 -10.698 1.321 5.831 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.258 2.821 8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.694 2.723 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.929 3.620 8.175 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.142 0.579 7.911 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.034 0.564 9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.818 1.414 7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.995 2.343 9.183 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.273 0.611 10.385 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.262 2.390 10.365 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.632 1.501 9.658 1.00 0.00 H new ATOM 90 N GLN A 6 -11.961 4.775 6.980 1.00 0.00 N ATOM 91 CA GLN A 6 -12.362 5.954 6.213 1.00 0.00 C ATOM 92 C GLN A 6 -12.167 7.197 7.065 1.00 0.00 C ATOM 93 O GLN A 6 -12.931 7.447 7.998 1.00 0.00 O ATOM 94 CB GLN A 6 -13.830 5.833 5.801 1.00 0.00 C ATOM 95 CG GLN A 6 -14.180 6.970 4.841 1.00 0.00 C ATOM 96 CD GLN A 6 -15.662 6.921 4.492 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.510 6.839 5.380 1.00 0.00 O ATOM 98 NE2 GLN A 6 -16.023 6.955 3.238 1.00 0.00 N ATOM 0 H GLN A 6 -12.407 4.692 7.894 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.749 6.028 5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.007 4.870 5.322 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.471 5.874 6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.937 7.930 5.297 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.582 6.888 3.934 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.316 7.023 2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.012 6.914 2.991 1.00 0.00 H new ATOM 107 N ILE A 7 -11.130 7.970 6.749 1.00 0.00 N ATOM 108 CA ILE A 7 -10.821 9.181 7.507 1.00 0.00 C ATOM 109 C ILE A 7 -11.020 10.417 6.631 1.00 0.00 C ATOM 110 O ILE A 7 -10.232 10.606 5.718 1.00 0.00 O ATOM 111 CB ILE A 7 -9.365 9.127 7.997 1.00 0.00 C ATOM 112 CG1 ILE A 7 -9.041 7.722 8.514 1.00 0.00 C ATOM 113 CG2 ILE A 7 -9.172 10.136 9.134 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.569 7.659 8.909 1.00 0.00 C ATOM 115 OXT ILE A 7 -11.958 11.154 6.885 1.00 0.00 O ATOM 0 H ILE A 7 -10.492 7.781 5.976 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.492 9.242 8.364 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.701 9.371 7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.670 7.483 9.371 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.255 6.980 7.745 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.140 10.099 9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.397 11.139 8.772 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.842 9.889 9.957 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.334 6.661 9.278 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.949 7.880 8.040 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.371 8.391 9.692 1.00 0.00 H new TER 127 ILE A 7 ATOM 128 N ILE C 1 -7.919 -11.762 3.653 1.00 0.00 N ATOM 129 CA ILE C 1 -8.284 -10.518 4.391 1.00 0.00 C ATOM 130 C ILE C 1 -8.374 -9.362 3.407 1.00 0.00 C ATOM 131 O ILE C 1 -7.498 -9.194 2.555 1.00 0.00 O ATOM 132 CB ILE C 1 -7.205 -10.238 5.494 1.00 0.00 C ATOM 133 CG1 ILE C 1 -7.876 -9.915 6.844 1.00 0.00 C ATOM 134 CG2 ILE C 1 -6.248 -9.082 5.111 1.00 0.00 C ATOM 135 CD1 ILE C 1 -8.379 -8.465 6.848 1.00 0.00 C ATOM 0 H1 ILE C 1 -7.422 -12.413 4.294 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.782 -12.219 3.296 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.298 -11.522 2.854 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.253 -10.634 4.877 1.00 0.00 H new ATOM 0 HB ILE C 1 -6.613 -11.149 5.582 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -8.708 -10.597 7.018 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.166 -10.064 7.657 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -5.522 -8.931 5.910 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -5.725 -9.333 4.188 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -6.822 -8.167 4.965 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -8.851 -8.246 7.806 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -7.539 -7.788 6.695 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -9.105 -8.329 6.046 1.00 0.00 H new ATOM 149 N HIS C 2 -9.406 -8.533 3.547 1.00 0.00 N ATOM 150 CA HIS C 2 -9.512 -7.355 2.683 1.00 0.00 C ATOM 151 C HIS C 2 -9.328 -6.101 3.537 1.00 0.00 C ATOM 152 O HIS C 2 -10.090 -5.869 4.477 1.00 0.00 O ATOM 153 CB HIS C 2 -10.893 -7.324 2.001 1.00 0.00 C ATOM 154 CG HIS C 2 -10.865 -8.112 0.711 1.00 0.00 C ATOM 155 ND1 HIS C 2 -11.075 -7.517 -0.527 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.671 -9.449 0.453 1.00 0.00 C ATOM 157 CE1 HIS C 2 -11.004 -8.485 -1.458 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.760 -9.680 -0.915 1.00 0.00 N ATOM 0 H HIS C 2 -10.159 -8.646 4.226 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.743 -7.395 1.912 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.645 -7.739 2.671 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.182 -6.293 1.798 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.479 -10.205 1.200 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.129 -8.316 -2.517 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.660 -10.572 -1.400 1.00 0.00 H new ATOM 166 N VAL C 3 -8.348 -5.269 3.181 1.00 0.00 N ATOM 167 CA VAL C 3 -8.120 -4.012 3.894 1.00 0.00 C ATOM 168 C VAL C 3 -8.361 -2.841 2.956 1.00 0.00 C ATOM 169 O VAL C 3 -7.753 -2.762 1.883 1.00 0.00 O ATOM 170 CB VAL C 3 -6.694 -3.969 4.452 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.486 -2.631 5.181 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.477 -5.159 5.428 1.00 0.00 C ATOM 0 H VAL C 3 -7.704 -5.441 2.409 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.816 -3.944 4.730 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.972 -4.053 3.640 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.474 -2.589 5.583 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.633 -1.809 4.481 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -7.204 -2.546 5.997 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.462 -5.125 5.823 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -7.189 -5.089 6.251 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.628 -6.098 4.896 1.00 0.00 H new ATOM 182 N HIS C 4 -9.233 -1.925 3.361 1.00 0.00 N ATOM 183 CA HIS C 4 -9.527 -0.750 2.535 1.00 0.00 C ATOM 184 C HIS C 4 -9.128 0.511 3.293 1.00 0.00 C ATOM 185 O HIS C 4 -9.519 0.692 4.446 1.00 0.00 O ATOM 186 CB HIS C 4 -11.041 -0.722 2.191 1.00 0.00 C ATOM 187 CG HIS C 4 -11.469 -1.995 1.449 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.697 -2.630 1.685 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.842 -2.771 0.491 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.754 -3.720 0.898 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.654 -3.856 0.153 1.00 0.00 N ATOM 0 H HIS C 4 -9.745 -1.967 4.242 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.959 -0.798 1.606 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.622 -0.620 3.107 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.260 0.151 1.576 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.869 -2.568 0.067 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.590 -4.403 0.872 1.00 0.00 H new ATOM 198 N LEU C 5 -8.356 1.386 2.643 1.00 0.00 N ATOM 199 CA LEU C 5 -7.917 2.637 3.273 1.00 0.00 C ATOM 200 C LEU C 5 -8.277 3.833 2.404 1.00 0.00 C ATOM 201 O LEU C 5 -7.885 3.907 1.237 1.00 0.00 O ATOM 202 CB LEU C 5 -6.399 2.601 3.514 1.00 0.00 C ATOM 203 CG LEU C 5 -5.907 3.975 4.007 1.00 0.00 C ATOM 204 CD1 LEU C 5 -6.644 4.370 5.291 1.00 0.00 C ATOM 205 CD2 LEU C 5 -4.387 3.934 4.267 1.00 0.00 C ATOM 0 H LEU C 5 -8.023 1.254 1.688 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.429 2.739 4.230 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -6.158 1.834 4.251 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.883 2.331 2.593 1.00 0.00 H new ATOM 0 HG LEU C 5 -6.115 4.717 3.236 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -6.288 5.343 5.630 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -7.715 4.424 5.094 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -6.454 3.625 6.063 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -4.051 4.911 4.615 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -4.168 3.183 5.026 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -3.867 3.679 3.344 1.00 0.00 H new ATOM 217 N GLN C 6 -9.002 4.787 2.989 1.00 0.00 N ATOM 218 CA GLN C 6 -9.382 5.998 2.267 1.00 0.00 C ATOM 219 C GLN C 6 -9.187 7.221 3.156 1.00 0.00 C ATOM 220 O GLN C 6 -9.875 7.382 4.164 1.00 0.00 O ATOM 221 CB GLN C 6 -10.846 5.900 1.834 1.00 0.00 C ATOM 222 CG GLN C 6 -11.224 7.132 1.008 1.00 0.00 C ATOM 223 CD GLN C 6 -12.704 7.088 0.656 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.557 7.075 1.545 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.061 7.060 -0.597 1.00 0.00 N ATOM 0 H GLN C 6 -9.335 4.744 3.952 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.750 6.099 1.385 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.002 4.995 1.247 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.490 5.826 2.710 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.002 8.039 1.570 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.626 7.167 0.097 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.352 7.071 -1.330 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.050 7.027 -0.845 1.00 0.00 H new ATOM 234 N ILE C 7 -8.254 8.091 2.764 1.00 0.00 N ATOM 235 CA ILE C 7 -7.972 9.315 3.522 1.00 0.00 C ATOM 236 C ILE C 7 -8.254 10.547 2.663 1.00 0.00 C ATOM 237 O ILE C 7 -7.726 10.612 1.565 1.00 0.00 O ATOM 238 CB ILE C 7 -6.500 9.322 3.998 1.00 0.00 C ATOM 239 CG1 ILE C 7 -6.012 7.867 4.204 1.00 0.00 C ATOM 240 CG2 ILE C 7 -6.370 10.113 5.312 1.00 0.00 C ATOM 241 CD1 ILE C 7 -5.538 7.263 2.873 1.00 0.00 C ATOM 242 OXT ILE C 7 -8.991 11.405 3.118 1.00 0.00 O ATOM 0 H ILE C 7 -7.681 7.973 1.928 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.623 9.342 4.396 1.00 0.00 H new ATOM 0 HB ILE C 7 -5.883 9.803 3.239 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -5.197 7.850 4.928 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.819 7.262 4.617 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -5.329 10.111 5.637 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -6.698 11.140 5.152 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.990 9.649 6.079 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -5.199 6.240 3.038 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -6.363 7.261 2.160 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -4.716 7.858 2.476 1.00 0.00 H new TER 254 ILE C 7 ATOM 255 N ILE E 1 -4.857 -11.733 -0.459 1.00 0.00 N ATOM 256 CA ILE E 1 -5.230 -10.518 0.321 1.00 0.00 C ATOM 257 C ILE E 1 -5.341 -9.322 -0.620 1.00 0.00 C ATOM 258 O ILE E 1 -4.542 -9.175 -1.555 1.00 0.00 O ATOM 259 CB ILE E 1 -4.166 -10.250 1.401 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.263 -11.336 2.481 1.00 0.00 C ATOM 261 CG2 ILE E 1 -4.365 -8.856 2.019 1.00 0.00 C ATOM 262 CD1 ILE E 1 -3.055 -11.232 3.415 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.606 -12.449 -0.366 1.00 0.00 H new ATOM 0 H2 ILE E 1 -4.742 -11.480 -1.461 1.00 0.00 H new ATOM 0 H3 ILE E 1 -3.962 -12.118 -0.094 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.193 -10.677 0.807 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.175 -10.278 0.948 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -5.186 -11.219 3.048 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.296 -12.323 2.019 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.604 -8.684 2.780 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.278 -8.097 1.241 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -5.354 -8.798 2.474 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -3.122 -12.002 4.183 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -2.139 -11.370 2.841 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -3.043 -10.249 3.887 1.00 0.00 H new ATOM 276 N HIS E 2 -6.329 -8.451 -0.365 1.00 0.00 N ATOM 277 CA HIS E 2 -6.500 -7.269 -1.182 1.00 0.00 C ATOM 278 C HIS E 2 -6.217 -6.040 -0.330 1.00 0.00 C ATOM 279 O HIS E 2 -6.893 -5.819 0.674 1.00 0.00 O ATOM 280 CB HIS E 2 -7.972 -7.245 -1.649 1.00 0.00 C ATOM 281 CG HIS E 2 -8.328 -5.905 -2.234 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.605 -5.325 -2.112 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.598 -5.039 -2.987 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.585 -4.170 -2.786 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.397 -3.939 -3.341 1.00 0.00 N ATOM 0 H HIS E 2 -7.006 -8.551 0.392 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.825 -7.275 -2.038 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.135 -8.026 -2.392 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.628 -7.465 -0.807 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.564 -5.176 -3.269 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.431 -3.504 -2.870 1.00 0.00 H new ATOM 292 N VAL E 3 -5.251 -5.215 -0.747 1.00 0.00 N ATOM 293 CA VAL E 3 -4.952 -3.985 -0.012 1.00 0.00 C ATOM 294 C VAL E 3 -5.178 -2.782 -0.913 1.00 0.00 C ATOM 295 O VAL E 3 -4.538 -2.678 -1.961 1.00 0.00 O ATOM 296 CB VAL E 3 -3.503 -4.007 0.467 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.238 -2.766 1.312 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.254 -5.271 1.298 1.00 0.00 C ATOM 0 H VAL E 3 -4.674 -5.373 -1.573 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.612 -3.915 0.853 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.831 -4.011 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.204 -2.775 1.658 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.412 -1.873 0.712 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.908 -2.761 2.172 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.219 -5.284 1.639 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.920 -5.276 2.161 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.446 -6.152 0.686 1.00 0.00 H new ATOM 308 N HIS E 4 -6.054 -1.854 -0.510 1.00 0.00 N ATOM 309 CA HIS E 4 -6.290 -0.669 -1.304 1.00 0.00 C ATOM 310 C HIS E 4 -5.931 0.603 -0.548 1.00 0.00 C ATOM 311 O HIS E 4 -6.369 0.806 0.586 1.00 0.00 O ATOM 312 CB HIS E 4 -7.757 -0.668 -1.761 1.00 0.00 C ATOM 313 CG HIS E 4 -7.895 0.167 -3.005 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.251 -0.349 -4.268 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.719 1.496 -3.182 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.269 0.684 -5.124 1.00 0.00 C ATOM 317 NE2 HIS E 4 -7.955 1.833 -4.516 1.00 0.00 N ATOM 0 H HIS E 4 -6.598 -1.909 0.351 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.640 -0.688 -2.179 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.089 -1.688 -1.956 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.395 -0.271 -0.971 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.438 2.193 -2.407 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.507 0.598 -6.174 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -7.900 2.760 -4.938 1.00 0.00 H new ATOM 325 N LEU E 5 -5.150 1.471 -1.199 1.00 0.00 N ATOM 326 CA LEU E 5 -4.741 2.739 -0.595 1.00 0.00 C ATOM 327 C LEU E 5 -5.180 3.899 -1.479 1.00 0.00 C ATOM 328 O LEU E 5 -4.714 4.031 -2.612 1.00 0.00 O ATOM 329 CB LEU E 5 -3.221 2.771 -0.468 1.00 0.00 C ATOM 330 CG LEU E 5 -2.734 1.520 0.275 1.00 0.00 C ATOM 331 CD1 LEU E 5 -1.192 1.529 0.358 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.358 1.472 1.684 1.00 0.00 C ATOM 0 H LEU E 5 -4.790 1.318 -2.141 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.204 2.830 0.388 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.765 2.818 -1.457 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.911 3.668 0.069 1.00 0.00 H new ATOM 0 HG LEU E 5 -3.046 0.629 -0.270 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -0.851 0.639 0.886 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -0.773 1.536 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -0.862 2.418 0.895 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -3.008 0.582 2.207 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -3.063 2.360 2.243 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -4.444 1.440 1.600 1.00 0.00 H new ATOM 344 N GLN E 6 -6.059 4.751 -0.954 1.00 0.00 N ATOM 345 CA GLN E 6 -6.530 5.914 -1.705 1.00 0.00 C ATOM 346 C GLN E 6 -6.282 7.176 -0.893 1.00 0.00 C ATOM 347 O GLN E 6 -6.962 7.431 0.104 1.00 0.00 O ATOM 348 CB GLN E 6 -8.024 5.766 -2.006 1.00 0.00 C ATOM 349 CG GLN E 6 -8.474 6.913 -2.909 1.00 0.00 C ATOM 350 CD GLN E 6 -9.973 6.827 -3.157 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.767 6.844 -2.219 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.407 6.742 -4.385 1.00 0.00 N ATOM 0 H GLN E 6 -6.457 4.660 -0.019 1.00 0.00 H new ATOM 0 HA GLN E 6 -5.987 5.983 -2.647 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.216 4.809 -2.492 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.596 5.773 -1.078 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.229 7.869 -2.446 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.938 6.871 -3.857 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.744 6.728 -5.160 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.409 6.689 -4.569 1.00 0.00 H new ATOM 361 N ILE E 7 -5.296 7.961 -1.323 1.00 0.00 N ATOM 362 CA ILE E 7 -4.943 9.198 -0.629 1.00 0.00 C ATOM 363 C ILE E 7 -5.280 10.410 -1.498 1.00 0.00 C ATOM 364 O ILE E 7 -4.652 10.566 -2.531 1.00 0.00 O ATOM 365 CB ILE E 7 -3.438 9.201 -0.303 1.00 0.00 C ATOM 366 CG1 ILE E 7 -2.986 7.787 0.114 1.00 0.00 C ATOM 367 CG2 ILE E 7 -3.169 10.184 0.835 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.499 7.787 0.480 1.00 0.00 C ATOM 369 OXT ILE E 7 -6.158 11.164 -1.112 1.00 0.00 O ATOM 0 H ILE E 7 -4.728 7.763 -2.147 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.516 9.255 0.296 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.879 9.504 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.576 7.446 0.965 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.166 7.086 -0.701 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -2.104 10.188 1.068 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -3.478 11.184 0.532 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -3.732 9.882 1.718 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.196 6.781 0.772 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -0.912 8.107 -0.381 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.329 8.473 1.310 1.00 0.00 H new TER 381 ILE E 7 ATOM 382 N ILE G 1 -1.508 -11.820 -4.331 1.00 0.00 N ATOM 383 CA ILE G 1 -1.867 -10.588 -3.569 1.00 0.00 C ATOM 384 C ILE G 1 -2.061 -9.433 -4.542 1.00 0.00 C ATOM 385 O ILE G 1 -1.231 -9.221 -5.433 1.00 0.00 O ATOM 386 CB ILE G 1 -0.722 -10.269 -2.544 1.00 0.00 C ATOM 387 CG1 ILE G 1 -1.309 -9.971 -1.157 1.00 0.00 C ATOM 388 CG2 ILE G 1 0.157 -9.079 -2.987 1.00 0.00 C ATOM 389 CD1 ILE G 1 -1.924 -8.569 -1.150 1.00 0.00 C ATOM 0 H1 ILE G 1 -0.920 -12.438 -3.735 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.375 -12.325 -4.603 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.978 -11.557 -5.186 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.797 -10.738 -3.021 1.00 0.00 H new ATOM 0 HB ILE G 1 -0.090 -11.156 -2.501 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -2.067 -10.713 -0.905 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.529 -10.041 -0.398 1.00 0.00 H new ATOM 0 HG21 ILE G 1 0.932 -8.902 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE G 1 0.621 -9.307 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -0.461 -8.187 -3.086 1.00 0.00 H new ATOM 0 HD11 ILE G 1 -2.340 -8.359 -0.165 1.00 0.00 H new ATOM 0 HD12 ILE G 1 -1.155 -7.833 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE G 1 -2.716 -8.515 -1.897 1.00 0.00 H new ATOM 403 N HIS G 2 -3.121 -8.642 -4.343 1.00 0.00 N ATOM 404 CA HIS G 2 -3.311 -7.463 -5.190 1.00 0.00 C ATOM 405 C HIS G 2 -3.123 -6.209 -4.339 1.00 0.00 C ATOM 406 O HIS G 2 -3.842 -6.001 -3.356 1.00 0.00 O ATOM 407 CB HIS G 2 -4.724 -7.469 -5.811 1.00 0.00 C ATOM 408 CG HIS G 2 -4.727 -8.253 -7.104 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.987 -7.660 -8.336 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.508 -9.583 -7.372 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.917 -8.624 -9.270 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.629 -9.813 -8.739 1.00 0.00 N ATOM 0 H HIS G 2 -3.836 -8.789 -3.630 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.580 -7.476 -5.999 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.434 -7.908 -5.110 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.051 -6.446 -5.998 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.277 -10.336 -6.633 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.075 -8.456 -10.325 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.521 -10.701 -9.230 1.00 0.00 H new ATOM 420 N VAL G 3 -2.189 -5.349 -4.751 1.00 0.00 N ATOM 421 CA VAL G 3 -1.956 -4.089 -4.051 1.00 0.00 C ATOM 422 C VAL G 3 -2.280 -2.929 -4.977 1.00 0.00 C ATOM 423 O VAL G 3 -1.729 -2.837 -6.079 1.00 0.00 O ATOM 424 CB VAL G 3 -0.499 -4.008 -3.581 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.285 -2.672 -2.852 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.186 -5.200 -2.634 1.00 0.00 C ATOM 0 H VAL G 3 -1.587 -5.502 -5.560 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.603 -4.037 -3.175 1.00 0.00 H new ATOM 0 HB VAL G 3 0.173 -4.063 -4.437 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.749 -2.604 -2.513 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.499 -1.848 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.953 -2.615 -1.992 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.850 -5.139 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.847 -5.160 -1.768 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.342 -6.138 -3.166 1.00 0.00 H new ATOM 436 N HIS G 4 -3.158 -2.037 -4.534 1.00 0.00 N ATOM 437 CA HIS G 4 -3.527 -0.875 -5.349 1.00 0.00 C ATOM 438 C HIS G 4 -3.132 0.403 -4.618 1.00 0.00 C ATOM 439 O HIS G 4 -3.471 0.580 -3.448 1.00 0.00 O ATOM 440 CB HIS G 4 -5.055 -0.896 -5.619 1.00 0.00 C ATOM 441 CG HIS G 4 -5.481 -2.181 -6.341 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.691 -2.833 -6.067 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.875 -2.944 -7.323 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.759 -3.921 -6.859 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.684 -4.038 -7.641 1.00 0.00 N ATOM 0 H HIS G 4 -3.625 -2.090 -3.629 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.002 -0.911 -6.303 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.593 -0.812 -4.675 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.331 -0.030 -6.221 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.919 -2.727 -7.776 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.586 -4.616 -6.861 1.00 0.00 H new ATOM 452 N LEU G 5 -2.419 1.296 -5.310 1.00 0.00 N ATOM 453 CA LEU G 5 -1.990 2.566 -4.709 1.00 0.00 C ATOM 454 C LEU G 5 -2.427 3.745 -5.566 1.00 0.00 C ATOM 455 O LEU G 5 -2.089 3.830 -6.747 1.00 0.00 O ATOM 456 CB LEU G 5 -0.463 2.576 -4.533 1.00 0.00 C ATOM 457 CG LEU G 5 0.005 3.967 -4.073 1.00 0.00 C ATOM 458 CD1 LEU G 5 -0.683 4.346 -2.759 1.00 0.00 C ATOM 459 CD2 LEU G 5 1.537 3.974 -3.882 1.00 0.00 C ATOM 0 H LEU G 5 -2.128 1.167 -6.279 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.462 2.661 -3.731 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.168 1.824 -3.801 1.00 0.00 H new ATOM 0 HB3 LEU G 5 0.021 2.313 -5.473 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.262 4.697 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU G 5 -0.344 5.333 -2.442 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -1.763 4.363 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU G 5 -0.432 3.613 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU G 5 1.859 4.963 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU G 5 1.813 3.236 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU G 5 2.023 3.727 -4.826 1.00 0.00 H new ATOM 471 N GLN G 6 -3.156 4.676 -4.952 1.00 0.00 N ATOM 472 CA GLN G 6 -3.609 5.872 -5.658 1.00 0.00 C ATOM 473 C GLN G 6 -3.402 7.109 -4.791 1.00 0.00 C ATOM 474 O GLN G 6 -4.078 7.287 -3.777 1.00 0.00 O ATOM 475 CB GLN G 6 -5.092 5.727 -6.011 1.00 0.00 C ATOM 476 CG GLN G 6 -5.557 6.947 -6.812 1.00 0.00 C ATOM 477 CD GLN G 6 -7.054 6.853 -7.095 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.869 6.780 -6.170 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.465 6.856 -8.331 1.00 0.00 N ATOM 0 H GLN G 6 -3.443 4.626 -3.975 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.027 5.986 -6.573 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.250 4.818 -6.591 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.684 5.631 -5.101 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.341 7.860 -6.256 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.005 7.007 -7.750 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.790 6.916 -9.093 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.462 6.798 -8.537 1.00 0.00 H new ATOM 488 N ILE G 7 -2.475 7.973 -5.210 1.00 0.00 N ATOM 489 CA ILE G 7 -2.186 9.210 -4.478 1.00 0.00 C ATOM 490 C ILE G 7 -2.600 10.425 -5.305 1.00 0.00 C ATOM 491 O ILE G 7 -2.196 10.501 -6.454 1.00 0.00 O ATOM 492 CB ILE G 7 -0.684 9.288 -4.134 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.132 7.860 -3.883 1.00 0.00 C ATOM 494 CG2 ILE G 7 -0.477 10.169 -2.893 1.00 0.00 C ATOM 495 CD1 ILE G 7 0.358 7.233 -5.191 1.00 0.00 C ATOM 496 OXT ILE G 7 -3.314 11.261 -4.776 1.00 0.00 O ATOM 0 H ILE G 7 -1.912 7.840 -6.050 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.759 9.207 -3.551 1.00 0.00 H new ATOM 0 HB ILE G 7 -0.144 9.733 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE G 7 0.687 7.902 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.910 7.236 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE G 7 0.586 10.220 -2.656 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -0.852 11.173 -3.093 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.017 9.741 -2.049 1.00 0.00 H new ATOM 0 HD11 ILE G 7 0.741 6.232 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE G 7 -0.470 7.172 -5.898 1.00 0.00 H new ATOM 0 HD13 ILE G 7 1.152 7.848 -5.614 1.00 0.00 H new TER 508 ILE G 7 ATOM 509 N ILE I 1 1.305 -11.770 -8.609 1.00 0.00 N ATOM 510 CA ILE I 1 0.964 -10.572 -7.787 1.00 0.00 C ATOM 511 C ILE I 1 0.792 -9.360 -8.692 1.00 0.00 C ATOM 512 O ILE I 1 1.560 -9.167 -9.639 1.00 0.00 O ATOM 513 CB ILE I 1 2.079 -10.310 -6.761 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.014 -11.387 -5.671 1.00 0.00 C ATOM 515 CG2 ILE I 1 1.928 -8.908 -6.148 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.253 -11.285 -4.785 1.00 0.00 C ATOM 0 H1 ILE I 1 0.543 -12.474 -8.529 1.00 0.00 H new ATOM 0 H2 ILE I 1 1.414 -11.489 -9.604 1.00 0.00 H new ATOM 0 H3 ILE I 1 2.196 -12.184 -8.267 1.00 0.00 H new ATOM 0 HA ILE I 1 0.030 -10.754 -7.256 1.00 0.00 H new ATOM 0 HB ILE I 1 3.049 -10.354 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.113 -11.260 -5.071 1.00 0.00 H new ATOM 0 HG13 ILE I 1 1.958 -12.377 -6.125 1.00 0.00 H new ATOM 0 HG21 ILE I 1 2.725 -8.740 -5.424 1.00 0.00 H new ATOM 0 HG22 ILE I 1 1.989 -8.158 -6.936 1.00 0.00 H new ATOM 0 HG23 ILE I 1 0.962 -8.831 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.209 -12.049 -4.009 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.147 -11.433 -5.391 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.289 -10.299 -4.321 1.00 0.00 H new ATOM 530 N HIS I 2 -0.210 -8.522 -8.382 1.00 0.00 N ATOM 531 CA HIS I 2 -0.436 -7.327 -9.164 1.00 0.00 C ATOM 532 C HIS I 2 -0.148 -6.104 -8.303 1.00 0.00 C ATOM 533 O HIS I 2 -0.785 -5.910 -7.269 1.00 0.00 O ATOM 534 CB HIS I 2 -1.923 -7.321 -9.578 1.00 0.00 C ATOM 535 CG HIS I 2 -2.304 -5.993 -10.170 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.583 -5.426 -10.034 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.591 -5.120 -10.934 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.582 -4.271 -10.707 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.405 -4.027 -11.276 1.00 0.00 N ATOM 0 H HIS I 2 -0.859 -8.658 -7.607 1.00 0.00 H new ATOM 0 HA HIS I 2 0.211 -7.306 -10.041 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.107 -8.114 -10.303 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.548 -7.531 -8.710 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.560 -5.248 -11.231 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.436 -3.614 -10.780 1.00 0.00 H new ATOM 546 N VAL I 3 0.780 -5.256 -8.755 1.00 0.00 N ATOM 547 CA VAL I 3 1.091 -4.025 -8.026 1.00 0.00 C ATOM 548 C VAL I 3 0.796 -2.823 -8.908 1.00 0.00 C ATOM 549 O VAL I 3 1.385 -2.703 -9.985 1.00 0.00 O ATOM 550 CB VAL I 3 2.566 -4.022 -7.626 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.863 -2.778 -6.790 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.888 -5.287 -6.821 1.00 0.00 C ATOM 0 H VAL I 3 1.321 -5.396 -9.608 1.00 0.00 H new ATOM 0 HA VAL I 3 0.476 -3.972 -7.127 1.00 0.00 H new ATOM 0 HB VAL I 3 3.186 -4.008 -8.522 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.915 -2.774 -6.504 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.643 -1.885 -7.375 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.243 -2.786 -5.893 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.941 -5.280 -6.538 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.271 -5.314 -5.923 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.681 -6.168 -7.429 1.00 0.00 H new ATOM 562 N HIS I 4 -0.079 -1.912 -8.463 1.00 0.00 N ATOM 563 CA HIS I 4 -0.369 -0.731 -9.244 1.00 0.00 C ATOM 564 C HIS I 4 -0.001 0.548 -8.499 1.00 0.00 C ATOM 565 O HIS I 4 -0.408 0.748 -7.354 1.00 0.00 O ATOM 566 CB HIS I 4 -1.856 -0.760 -9.636 1.00 0.00 C ATOM 567 CG HIS I 4 -2.070 0.066 -10.873 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.470 -0.462 -12.117 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.945 1.399 -11.058 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.565 0.567 -12.971 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.259 1.727 -12.379 1.00 0.00 N ATOM 0 H HIS I 4 -0.584 -1.979 -7.580 1.00 0.00 H new ATOM 0 HA HIS I 4 0.243 -0.734 -10.146 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.175 -1.787 -9.813 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.465 -0.373 -8.819 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.647 2.106 -10.298 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.853 0.471 -14.008 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.256 2.655 -12.803 1.00 0.00 H new ATOM 579 N LEU I 5 0.751 1.426 -9.180 1.00 0.00 N ATOM 580 CA LEU I 5 1.170 2.702 -8.597 1.00 0.00 C ATOM 581 C LEU I 5 0.686 3.856 -9.464 1.00 0.00 C ATOM 582 O LEU I 5 1.160 4.032 -10.587 1.00 0.00 O ATOM 583 CB LEU I 5 2.693 2.747 -8.523 1.00 0.00 C ATOM 584 CG LEU I 5 3.214 1.496 -7.801 1.00 0.00 C ATOM 585 CD1 LEU I 5 4.759 1.525 -7.753 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.621 1.431 -6.380 1.00 0.00 C ATOM 0 H LEU I 5 1.079 1.273 -10.134 1.00 0.00 H new ATOM 0 HA LEU I 5 0.742 2.793 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU I 5 3.114 2.801 -9.527 1.00 0.00 H new ATOM 0 HB3 LEU I 5 3.015 3.644 -7.994 1.00 0.00 H new ATOM 0 HG LEU I 5 2.904 0.604 -8.345 1.00 0.00 H new ATOM 0 HD11 LEU I 5 5.124 0.635 -7.240 1.00 0.00 H new ATOM 0 HD12 LEU I 5 5.154 1.546 -8.769 1.00 0.00 H new ATOM 0 HD13 LEU I 5 5.090 2.414 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU I 5 2.993 0.542 -5.871 1.00 0.00 H new ATOM 0 HD22 LEU I 5 2.916 2.319 -5.822 1.00 0.00 H new ATOM 0 HD23 LEU I 5 1.534 1.386 -6.441 1.00 0.00 H new ATOM 598 N GLN I 6 -0.242 4.651 -8.934 1.00 0.00 N ATOM 599 CA GLN I 6 -0.761 5.804 -9.669 1.00 0.00 C ATOM 600 C GLN I 6 -0.499 7.073 -8.875 1.00 0.00 C ATOM 601 O GLN I 6 -1.148 7.329 -7.861 1.00 0.00 O ATOM 602 CB GLN I 6 -2.262 5.632 -9.917 1.00 0.00 C ATOM 603 CG GLN I 6 -2.770 6.792 -10.772 1.00 0.00 C ATOM 604 CD GLN I 6 -4.273 6.673 -10.984 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.048 6.693 -10.031 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.729 6.544 -12.200 1.00 0.00 N ATOM 0 H GLN I 6 -0.647 4.520 -8.007 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.255 5.877 -10.632 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.453 4.684 -10.420 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.798 5.603 -8.968 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.538 7.740 -10.286 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.259 6.794 -11.735 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -4.082 6.528 -12.988 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.732 6.459 -12.362 1.00 0.00 H new ATOM 615 N ILE I 7 0.462 7.866 -9.347 1.00 0.00 N ATOM 616 CA ILE I 7 0.823 9.112 -8.675 1.00 0.00 C ATOM 617 C ILE I 7 0.401 10.315 -9.514 1.00 0.00 C ATOM 618 O ILE I 7 0.933 10.471 -10.601 1.00 0.00 O ATOM 619 CB ILE I 7 2.345 9.152 -8.440 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.856 7.749 -8.058 1.00 0.00 C ATOM 621 CG2 ILE I 7 2.656 10.138 -7.320 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.356 7.794 -7.752 1.00 0.00 C ATOM 623 OXT ILE I 7 -0.444 11.065 -9.053 1.00 0.00 O ATOM 0 H ILE I 7 1.002 7.668 -10.189 1.00 0.00 H new ATOM 0 HA ILE I 7 0.304 9.155 -7.717 1.00 0.00 H new ATOM 0 HB ILE I 7 2.844 9.471 -9.355 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.312 7.381 -7.188 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.665 7.051 -8.873 1.00 0.00 H new ATOM 0 HG21 ILE I 7 3.732 10.169 -7.151 1.00 0.00 H new ATOM 0 HG22 ILE I 7 2.304 11.131 -7.601 1.00 0.00 H new ATOM 0 HG23 ILE I 7 2.154 9.821 -6.406 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.703 6.796 -7.484 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.897 8.142 -8.632 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.538 8.477 -6.922 1.00 0.00 H new TER 635 ILE I 7 ATOM 636 N ILE K 1 4.665 -11.839 -12.406 1.00 0.00 N ATOM 637 CA ILE K 1 4.385 -10.600 -11.619 1.00 0.00 C ATOM 638 C ILE K 1 4.075 -9.459 -12.577 1.00 0.00 C ATOM 639 O ILE K 1 4.850 -9.205 -13.498 1.00 0.00 O ATOM 640 CB ILE K 1 5.642 -10.258 -10.742 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.211 -9.948 -9.302 1.00 0.00 C ATOM 642 CG2 ILE K 1 6.446 -9.058 -11.302 1.00 0.00 C ATOM 643 CD1 ILE K 1 4.479 -8.604 -9.265 1.00 0.00 C ATOM 0 H1 ILE K 1 4.878 -12.623 -11.756 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.832 -12.081 -12.980 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.480 -11.677 -13.031 1.00 0.00 H new ATOM 0 HA ILE K 1 3.527 -10.752 -10.965 1.00 0.00 H new ATOM 0 HB ILE K 1 6.291 -11.134 -10.763 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.561 -10.739 -8.928 1.00 0.00 H new ATOM 0 HG13 ILE K 1 6.083 -9.917 -8.649 1.00 0.00 H new ATOM 0 HG21 ILE K 1 7.304 -8.863 -10.659 1.00 0.00 H new ATOM 0 HG22 ILE K 1 6.792 -9.290 -12.309 1.00 0.00 H new ATOM 0 HG23 ILE K 1 5.808 -8.175 -11.333 1.00 0.00 H new ATOM 0 HD11 ILE K 1 4.173 -8.384 -8.242 1.00 0.00 H new ATOM 0 HD12 ILE K 1 5.144 -7.818 -9.622 1.00 0.00 H new ATOM 0 HD13 ILE K 1 3.598 -8.652 -9.905 1.00 0.00 H new ATOM 657 N HIS K 2 2.992 -8.716 -12.318 1.00 0.00 N ATOM 658 CA HIS K 2 2.700 -7.547 -13.148 1.00 0.00 C ATOM 659 C HIS K 2 2.913 -6.293 -12.307 1.00 0.00 C ATOM 660 O HIS K 2 2.275 -6.111 -11.266 1.00 0.00 O ATOM 661 CB HIS K 2 1.242 -7.594 -13.649 1.00 0.00 C ATOM 662 CG HIS K 2 1.160 -8.352 -14.950 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.791 -7.743 -16.144 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.393 -9.670 -15.259 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.814 -8.688 -17.101 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.173 -9.879 -16.615 1.00 0.00 N ATOM 0 H HIS K 2 2.326 -8.896 -11.567 1.00 0.00 H new ATOM 0 HA HIS K 2 3.361 -7.539 -14.014 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.609 -8.072 -12.901 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.865 -6.581 -13.786 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.701 -10.429 -14.555 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.571 -8.506 -18.137 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.266 -10.755 -17.129 1.00 0.00 H new ATOM 674 N VAL K 3 3.784 -5.412 -12.789 1.00 0.00 N ATOM 675 CA VAL K 3 4.050 -4.148 -12.110 1.00 0.00 C ATOM 676 C VAL K 3 3.619 -2.996 -13.004 1.00 0.00 C ATOM 677 O VAL K 3 4.065 -2.903 -14.149 1.00 0.00 O ATOM 678 CB VAL K 3 5.543 -4.040 -11.781 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.802 -2.708 -11.070 1.00 0.00 C ATOM 680 CG2 VAL K 3 5.975 -5.223 -10.881 1.00 0.00 C ATOM 0 H VAL K 3 4.318 -5.550 -13.647 1.00 0.00 H new ATOM 0 HA VAL K 3 3.485 -4.106 -11.179 1.00 0.00 H new ATOM 0 HB VAL K 3 6.126 -4.079 -12.701 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.862 -2.623 -10.832 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.509 -1.885 -11.722 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.219 -2.667 -10.150 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.037 -5.137 -10.653 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.402 -5.203 -9.954 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.790 -6.163 -11.402 1.00 0.00 H new ATOM 690 N HIS K 4 2.768 -2.112 -12.491 1.00 0.00 N ATOM 691 CA HIS K 4 2.310 -0.959 -13.279 1.00 0.00 C ATOM 692 C HIS K 4 2.749 0.332 -12.591 1.00 0.00 C ATOM 693 O HIS K 4 2.509 0.512 -11.396 1.00 0.00 O ATOM 694 CB HIS K 4 0.768 -1.001 -13.426 1.00 0.00 C ATOM 695 CG HIS K 4 0.307 -2.282 -14.126 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.866 -2.965 -13.765 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.846 -3.020 -15.163 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.973 -4.042 -14.562 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.038 -4.126 -15.429 1.00 0.00 N ATOM 0 H HIS K 4 2.383 -2.165 -11.548 1.00 0.00 H new ATOM 0 HA HIS K 4 2.752 -0.997 -14.275 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.305 -0.936 -12.441 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.432 -0.133 -13.994 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.757 -2.777 -15.689 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.782 -4.755 -14.507 1.00 0.00 H new ATOM 706 N LEU K 5 3.384 1.233 -13.349 1.00 0.00 N ATOM 707 CA LEU K 5 3.849 2.513 -12.798 1.00 0.00 C ATOM 708 C LEU K 5 3.327 3.677 -13.627 1.00 0.00 C ATOM 709 O LEU K 5 3.560 3.748 -14.834 1.00 0.00 O ATOM 710 CB LEU K 5 5.384 2.541 -12.758 1.00 0.00 C ATOM 711 CG LEU K 5 5.873 3.937 -12.346 1.00 0.00 C ATOM 712 CD1 LEU K 5 5.277 4.319 -10.987 1.00 0.00 C ATOM 713 CD2 LEU K 5 7.408 3.936 -12.260 1.00 0.00 C ATOM 0 H LEU K 5 3.587 1.102 -14.340 1.00 0.00 H new ATOM 0 HA LEU K 5 3.463 2.613 -11.783 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.751 1.795 -12.053 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.786 2.280 -13.737 1.00 0.00 H new ATOM 0 HG LEU K 5 5.552 4.666 -13.090 1.00 0.00 H new ATOM 0 HD11 LEU K 5 5.628 5.310 -10.701 1.00 0.00 H new ATOM 0 HD12 LEU K 5 4.189 4.325 -11.056 1.00 0.00 H new ATOM 0 HD13 LEU K 5 5.589 3.593 -10.236 1.00 0.00 H new ATOM 0 HD21 LEU K 5 7.757 4.926 -11.968 1.00 0.00 H new ATOM 0 HD22 LEU K 5 7.730 3.204 -11.519 1.00 0.00 H new ATOM 0 HD23 LEU K 5 7.827 3.676 -13.232 1.00 0.00 H new ATOM 725 N GLN K 6 2.641 4.607 -12.967 1.00 0.00 N ATOM 726 CA GLN K 6 2.113 5.785 -13.648 1.00 0.00 C ATOM 727 C GLN K 6 2.367 7.033 -12.812 1.00 0.00 C ATOM 728 O GLN K 6 1.742 7.229 -11.769 1.00 0.00 O ATOM 729 CB GLN K 6 0.610 5.612 -13.886 1.00 0.00 C ATOM 730 CG GLN K 6 0.081 6.778 -14.725 1.00 0.00 C ATOM 731 CD GLN K 6 -1.431 6.664 -14.898 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.165 6.438 -13.935 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.946 6.800 -16.086 1.00 0.00 N ATOM 0 H GLN K 6 2.439 4.568 -11.968 1.00 0.00 H new ATOM 0 HA GLN K 6 2.618 5.898 -14.607 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.420 4.668 -14.397 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.084 5.570 -12.932 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.328 7.724 -14.242 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.566 6.782 -15.701 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.341 6.987 -16.886 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.954 6.719 -16.217 1.00 0.00 H new ATOM 742 N ILE K 7 3.282 7.880 -13.283 1.00 0.00 N ATOM 743 CA ILE K 7 3.618 9.121 -12.582 1.00 0.00 C ATOM 744 C ILE K 7 3.098 10.329 -13.364 1.00 0.00 C ATOM 745 O ILE K 7 3.406 10.425 -14.540 1.00 0.00 O ATOM 746 CB ILE K 7 5.150 9.228 -12.396 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.758 7.820 -12.181 1.00 0.00 C ATOM 748 CG2 ILE K 7 5.457 10.137 -11.198 1.00 0.00 C ATOM 749 CD1 ILE K 7 6.191 7.203 -13.522 1.00 0.00 C ATOM 750 OXT ILE K 7 2.402 11.137 -12.772 1.00 0.00 O ATOM 0 H ILE K 7 3.804 7.730 -14.146 1.00 0.00 H new ATOM 0 HA ILE K 7 3.143 9.108 -11.601 1.00 0.00 H new ATOM 0 HB ILE K 7 5.596 9.661 -13.292 1.00 0.00 H new ATOM 0 HG12 ILE K 7 6.616 7.887 -11.512 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.027 7.173 -11.697 1.00 0.00 H new ATOM 0 HG21 ILE K 7 6.536 10.213 -11.066 1.00 0.00 H new ATOM 0 HG22 ILE K 7 5.043 11.129 -11.378 1.00 0.00 H new ATOM 0 HG23 ILE K 7 5.010 9.715 -10.298 1.00 0.00 H new ATOM 0 HD11 ILE K 7 6.615 6.214 -13.347 1.00 0.00 H new ATOM 0 HD12 ILE K 7 5.325 7.116 -14.179 1.00 0.00 H new ATOM 0 HD13 ILE K 7 6.940 7.841 -13.991 1.00 0.00 H new TER 762 ILE K 7 ATOM 763 N ILE O 1 -4.227 11.434 12.825 1.00 0.00 N ATOM 764 CA ILE O 1 -4.770 10.191 13.444 1.00 0.00 C ATOM 765 C ILE O 1 -3.841 9.025 13.131 1.00 0.00 C ATOM 766 O ILE O 1 -3.260 8.956 12.049 1.00 0.00 O ATOM 767 CB ILE O 1 -6.181 9.910 12.887 1.00 0.00 C ATOM 768 CG1 ILE O 1 -7.138 10.995 13.387 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.662 8.542 13.370 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.442 10.930 12.592 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.056 12.144 13.565 1.00 0.00 H new ATOM 0 H2 ILE O 1 -3.333 11.218 12.339 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.913 11.808 12.138 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.835 10.316 14.525 1.00 0.00 H new ATOM 0 HB ILE O 1 -6.154 9.914 11.797 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.340 10.856 14.449 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.680 11.978 13.276 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.659 8.347 12.975 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -5.976 7.771 13.021 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.695 8.532 14.459 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -9.124 11.702 12.948 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -8.232 11.090 11.535 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.901 9.951 12.726 1.00 0.00 H new ATOM 784 N HIS O 2 -3.705 8.099 14.081 1.00 0.00 N ATOM 785 CA HIS O 2 -2.885 6.937 13.877 1.00 0.00 C ATOM 786 C HIS O 2 -3.792 5.712 13.894 1.00 0.00 C ATOM 787 O HIS O 2 -4.465 5.462 14.894 1.00 0.00 O ATOM 788 CB HIS O 2 -1.891 6.885 15.055 1.00 0.00 C ATOM 789 CG HIS O 2 -1.248 5.535 15.172 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.891 4.974 16.404 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.853 4.643 14.224 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.303 3.796 16.154 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.249 3.540 14.846 1.00 0.00 N ATOM 0 H HIS O 2 -4.158 8.144 14.994 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.347 6.967 12.930 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.122 7.645 14.917 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.412 7.123 15.983 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.049 5.386 17.323 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.984 4.765 13.159 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.080 3.135 16.918 1.00 0.00 H new ATOM 800 N VAL O 3 -3.791 4.927 12.815 1.00 0.00 N ATOM 801 CA VAL O 3 -4.605 3.709 12.773 1.00 0.00 C ATOM 802 C VAL O 3 -3.706 2.494 12.593 1.00 0.00 C ATOM 803 O VAL O 3 -2.974 2.417 11.605 1.00 0.00 O ATOM 804 CB VAL O 3 -5.608 3.789 11.623 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.511 2.562 11.668 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.451 5.064 11.754 1.00 0.00 C ATOM 0 H VAL O 3 -3.246 5.107 11.972 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.151 3.614 13.712 1.00 0.00 H new ATOM 0 HB VAL O 3 -5.076 3.818 10.672 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -7.231 2.610 10.851 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.906 1.661 11.566 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -7.043 2.536 12.619 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -7.164 5.115 10.931 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.990 5.048 12.701 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.798 5.936 11.723 1.00 0.00 H new ATOM 816 N HIS O 4 -3.764 1.531 13.519 1.00 0.00 N ATOM 817 CA HIS O 4 -2.961 0.333 13.404 1.00 0.00 C ATOM 818 C HIS O 4 -3.824 -0.927 13.305 1.00 0.00 C ATOM 819 O HIS O 4 -4.726 -1.134 14.113 1.00 0.00 O ATOM 820 CB HIS O 4 -1.999 0.267 14.605 1.00 0.00 C ATOM 821 CG HIS O 4 -0.797 -0.562 14.246 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.517 -0.060 14.182 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.712 -1.874 13.924 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.311 -1.083 13.828 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.616 -2.213 13.660 1.00 0.00 N ATOM 0 H HIS O 4 -4.358 1.567 14.347 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.386 0.377 12.479 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.688 1.272 14.890 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.507 -0.166 15.467 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.547 -2.557 13.878 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.380 -1.003 13.695 1.00 0.00 H new ATOM 0 HE2 HIS O 4 0.979 -3.129 13.395 1.00 0.00 H new ATOM 833 N LEU O 5 -3.519 -1.776 12.318 1.00 0.00 N ATOM 834 CA LEU O 5 -4.253 -3.033 12.123 1.00 0.00 C ATOM 835 C LEU O 5 -3.280 -4.202 12.185 1.00 0.00 C ATOM 836 O LEU O 5 -2.360 -4.294 11.373 1.00 0.00 O ATOM 837 CB LEU O 5 -4.928 -3.018 10.755 1.00 0.00 C ATOM 838 CG LEU O 5 -5.825 -1.781 10.634 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.459 -1.741 9.231 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.918 -1.818 11.719 1.00 0.00 C ATOM 0 H LEU O 5 -2.771 -1.617 11.643 1.00 0.00 H new ATOM 0 HA LEU O 5 -5.006 -3.139 12.904 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -4.175 -3.011 9.967 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -5.521 -3.923 10.621 1.00 0.00 H new ATOM 0 HG LEU O 5 -5.226 -0.881 10.777 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -7.097 -0.861 9.145 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.673 -1.694 8.478 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -7.057 -2.639 9.076 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -7.552 -0.936 11.627 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -7.524 -2.715 11.594 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.452 -1.829 12.704 1.00 0.00 H new ATOM 852 N GLN O 6 -3.495 -5.102 13.142 1.00 0.00 N ATOM 853 CA GLN O 6 -2.636 -6.276 13.287 1.00 0.00 C ATOM 854 C GLN O 6 -3.498 -7.528 13.325 1.00 0.00 C ATOM 855 O GLN O 6 -4.183 -7.791 14.313 1.00 0.00 O ATOM 856 CB GLN O 6 -1.822 -6.170 14.577 1.00 0.00 C ATOM 857 CG GLN O 6 -0.781 -7.287 14.609 1.00 0.00 C ATOM 858 CD GLN O 6 -0.023 -7.258 15.931 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.631 -7.171 16.998 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.281 -7.314 15.920 1.00 0.00 N ATOM 0 H GLN O 6 -4.251 -5.042 13.824 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.952 -6.330 12.440 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.331 -5.198 14.632 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.480 -6.245 15.443 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.269 -8.253 14.482 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.085 -7.170 13.779 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.781 -7.386 15.034 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.800 -7.286 16.798 1.00 0.00 H new ATOM 869 N ILE O 7 -3.475 -8.291 12.233 1.00 0.00 N ATOM 870 CA ILE O 7 -4.281 -9.507 12.135 1.00 0.00 C ATOM 871 C ILE O 7 -3.376 -10.735 12.064 1.00 0.00 C ATOM 872 O ILE O 7 -2.675 -10.873 11.074 1.00 0.00 O ATOM 873 CB ILE O 7 -5.162 -9.445 10.879 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.774 -8.046 10.742 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.290 -10.476 10.995 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.577 -7.969 9.445 1.00 0.00 C ATOM 877 OXT ILE O 7 -3.398 -11.519 12.997 1.00 0.00 O ATOM 0 H ILE O 7 -2.910 -8.090 11.408 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.913 -9.582 13.020 1.00 0.00 H new ATOM 0 HB ILE O 7 -4.551 -9.662 10.003 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -6.419 -7.834 11.595 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.988 -7.291 10.741 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.916 -10.432 10.104 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -5.862 -11.474 11.090 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -6.895 -10.256 11.874 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -7.013 -6.975 9.346 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -5.919 -8.163 8.598 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.373 -8.714 9.465 1.00 0.00 H new TER 889 ILE O 7 ATOM 890 N ILE Q 1 -1.634 11.692 8.564 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.221 10.433 9.109 1.00 0.00 C ATOM 892 C ILE Q 1 -1.233 9.292 8.905 1.00 0.00 C ATOM 893 O ILE Q 1 -0.638 9.155 7.833 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.584 10.143 8.384 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.685 9.789 9.405 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -3.472 9.003 7.342 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -4.527 8.330 9.860 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.600 12.412 9.313 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.671 11.505 8.220 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -2.221 12.037 7.778 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.415 10.533 10.177 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.849 11.059 7.856 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.624 10.456 10.265 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -5.668 9.935 8.958 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.442 8.844 6.871 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -2.740 9.275 6.582 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -3.155 8.086 7.839 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -5.308 8.087 10.581 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.611 7.669 8.998 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -3.550 8.198 10.325 1.00 0.00 H new ATOM 911 N HIS Q 2 -1.080 8.442 9.918 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.209 7.278 9.759 1.00 0.00 C ATOM 913 C HIS Q 2 -1.069 6.016 9.796 1.00 0.00 C ATOM 914 O HIS Q 2 -1.751 5.758 10.789 1.00 0.00 O ATOM 915 CB HIS Q 2 0.829 7.237 10.896 1.00 0.00 C ATOM 916 CG HIS Q 2 2.049 8.048 10.524 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.304 7.472 10.369 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.226 9.391 10.288 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.164 8.456 10.056 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.561 9.645 9.993 1.00 0.00 N ATOM 0 H HIS Q 2 -1.530 8.530 10.829 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.320 7.340 8.808 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.389 7.629 11.813 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.117 6.205 11.097 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.446 10.137 10.326 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.218 8.303 9.877 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 3.987 10.546 9.775 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.993 5.203 8.741 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.728 3.938 8.704 1.00 0.00 C ATOM 930 C VAL Q 3 -0.747 2.779 8.644 1.00 0.00 C ATOM 931 O VAL Q 3 0.109 2.725 7.752 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.675 3.905 7.501 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.425 2.563 7.495 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.682 5.085 7.595 1.00 0.00 C ATOM 0 H VAL Q 3 -0.436 5.395 7.909 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.328 3.847 9.610 1.00 0.00 H new ATOM 0 HB VAL Q 3 -2.107 4.006 6.576 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -4.103 2.529 6.642 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.708 1.746 7.422 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.997 2.462 8.417 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.354 5.059 6.738 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -4.262 4.996 8.514 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -3.137 6.029 7.600 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.876 1.844 9.578 1.00 0.00 N ATOM 945 CA HIS Q 4 0.007 0.676 9.607 1.00 0.00 C ATOM 946 C HIS Q 4 -0.825 -0.588 9.422 1.00 0.00 C ATOM 947 O HIS Q 4 -1.821 -0.782 10.120 1.00 0.00 O ATOM 948 CB HIS Q 4 0.767 0.628 10.958 1.00 0.00 C ATOM 949 CG HIS Q 4 1.580 1.906 11.195 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.688 2.505 12.459 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.318 2.717 10.350 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.449 3.609 12.327 1.00 0.00 C ATOM 953 NE2 HIS Q 4 2.857 3.787 11.067 1.00 0.00 N ATOM 0 H HIS Q 4 -1.575 1.867 10.320 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.736 0.745 8.799 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.055 0.493 11.772 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.433 -0.235 10.971 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.456 2.547 9.292 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.699 4.271 13.143 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.416 -1.448 8.487 1.00 0.00 N ATOM 961 CA LEU Q 5 -1.138 -2.699 8.228 1.00 0.00 C ATOM 962 C LEU Q 5 -0.195 -3.891 8.305 1.00 0.00 C ATOM 963 O LEU Q 5 0.809 -3.948 7.591 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.804 -2.645 6.845 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.408 -4.016 6.488 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -3.434 -4.432 7.546 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -3.083 -3.950 5.102 1.00 0.00 C ATOM 0 H LEU Q 5 0.405 -1.304 7.899 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.907 -2.817 8.992 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -2.584 -1.884 6.839 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -1.071 -2.356 6.092 1.00 0.00 H new ATOM 0 HG LEU Q 5 -1.608 -4.756 6.461 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.854 -5.403 7.283 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -2.947 -4.499 8.519 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -4.232 -3.691 7.590 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -3.507 -4.924 4.857 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -3.876 -3.202 5.119 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -2.343 -3.677 4.350 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.538 -4.859 9.152 1.00 0.00 N ATOM 980 CA GLN Q 6 0.270 -6.067 9.292 1.00 0.00 C ATOM 981 C GLN Q 6 -0.627 -7.299 9.332 1.00 0.00 C ATOM 982 O GLN Q 6 -1.426 -7.465 10.256 1.00 0.00 O ATOM 983 CB GLN Q 6 1.097 -5.986 10.575 1.00 0.00 C ATOM 984 CG GLN Q 6 2.011 -7.212 10.679 1.00 0.00 C ATOM 985 CD GLN Q 6 2.767 -7.184 11.999 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.157 -7.211 13.070 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.068 -7.127 11.986 1.00 0.00 N ATOM 0 H GLN Q 6 -1.365 -4.831 9.748 1.00 0.00 H new ATOM 0 HA GLN Q 6 0.939 -6.147 8.435 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.694 -5.074 10.577 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.438 -5.937 11.442 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.419 -8.125 10.608 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.715 -7.223 9.847 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.569 -7.105 11.098 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.586 -7.105 12.864 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.480 -8.168 8.331 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.276 -9.398 8.254 1.00 0.00 C ATOM 998 C ILE Q 7 -0.360 -10.621 8.252 1.00 0.00 C ATOM 999 O ILE Q 7 0.494 -10.696 7.384 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.159 -9.389 6.982 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.499 -7.931 6.597 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.454 -10.185 7.227 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -1.351 -7.303 5.789 1.00 0.00 C ATOM 1004 OXT ILE Q 7 -0.529 -11.464 9.117 1.00 0.00 O ATOM 0 H ILE Q 7 0.180 -8.045 7.563 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.925 -9.448 9.128 1.00 0.00 H new ATOM 0 HB ILE Q 7 -1.611 -9.858 6.165 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -3.418 -7.909 6.011 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -2.681 -7.344 7.497 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -4.066 -10.171 6.325 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.205 -11.215 7.481 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -4.009 -9.733 8.049 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -1.609 -6.277 5.527 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -0.440 -7.307 6.388 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -1.189 -7.880 4.878 1.00 0.00 H new TER 1016 ILE Q 7 ATOM 1017 N ILE S 1 1.544 11.767 4.523 1.00 0.00 N ATOM 1018 CA ILE S 1 0.917 10.544 5.106 1.00 0.00 C ATOM 1019 C ILE S 1 1.859 9.362 4.929 1.00 0.00 C ATOM 1020 O ILE S 1 2.539 9.240 3.902 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.427 10.270 4.406 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.440 11.334 4.843 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.942 8.867 4.751 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.687 11.239 3.963 1.00 0.00 C ATOM 0 H1 ILE S 1 1.670 12.481 5.268 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.470 11.523 4.117 1.00 0.00 H new ATOM 0 H3 ILE S 1 0.929 12.150 3.777 1.00 0.00 H new ATOM 0 HA ILE S 1 0.733 10.694 6.170 1.00 0.00 H new ATOM 0 HB ILE S 1 -0.288 10.318 3.326 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.708 11.189 5.890 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.999 12.327 4.762 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.892 8.694 4.246 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.216 8.122 4.424 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.084 8.786 5.829 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -3.409 11.995 4.272 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -2.411 11.405 2.922 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -3.131 10.249 4.067 1.00 0.00 H new ATOM 1038 N HIS S 2 1.893 8.475 5.934 1.00 0.00 N ATOM 1039 CA HIS S 2 2.738 7.304 5.847 1.00 0.00 C ATOM 1040 C HIS S 2 1.862 6.062 5.798 1.00 0.00 C ATOM 1041 O HIS S 2 1.097 5.812 6.730 1.00 0.00 O ATOM 1042 CB HIS S 2 3.606 7.267 7.122 1.00 0.00 C ATOM 1043 CG HIS S 2 4.302 5.940 7.255 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.536 5.312 8.491 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.847 5.120 6.314 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.198 4.176 8.244 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.416 4.001 6.943 1.00 0.00 N ATOM 0 H HIS S 2 1.352 8.554 6.795 1.00 0.00 H new ATOM 0 HA HIS S 2 3.362 7.337 4.954 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.344 8.068 7.088 1.00 0.00 H new ATOM 0 HB3 HIS S 2 2.982 7.445 7.998 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.842 5.302 5.249 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.517 3.484 9.009 1.00 0.00 H new ATOM 1054 N VAL S 3 2.003 5.256 4.743 1.00 0.00 N ATOM 1055 CA VAL S 3 1.237 4.012 4.647 1.00 0.00 C ATOM 1056 C VAL S 3 2.186 2.826 4.586 1.00 0.00 C ATOM 1057 O VAL S 3 3.012 2.751 3.671 1.00 0.00 O ATOM 1058 CB VAL S 3 0.360 4.038 3.399 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.503 2.783 3.373 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.529 5.285 3.417 1.00 0.00 C ATOM 0 H VAL S 3 2.628 5.437 3.957 1.00 0.00 H new ATOM 0 HA VAL S 3 0.601 3.916 5.527 1.00 0.00 H new ATOM 0 HB VAL S 3 0.987 4.067 2.508 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -1.133 2.793 2.484 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.138 1.901 3.353 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -1.132 2.755 4.263 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.154 5.299 2.524 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.163 5.267 4.303 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.096 6.177 3.437 1.00 0.00 H new ATOM 1070 N HIS S 4 2.066 1.880 5.524 1.00 0.00 N ATOM 1071 CA HIS S 4 2.912 0.707 5.502 1.00 0.00 C ATOM 1072 C HIS S 4 2.099 -0.574 5.350 1.00 0.00 C ATOM 1073 O HIS S 4 1.137 -0.798 6.084 1.00 0.00 O ATOM 1074 CB HIS S 4 3.768 0.693 6.779 1.00 0.00 C ATOM 1075 CG HIS S 4 5.018 -0.110 6.539 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.318 0.433 6.523 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.165 -1.434 6.304 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.165 -0.578 6.286 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.518 -1.740 6.146 1.00 0.00 N ATOM 0 H HIS S 4 1.397 1.912 6.294 1.00 0.00 H new ATOM 0 HA HIS S 4 3.567 0.752 4.632 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.028 1.712 7.066 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.201 0.264 7.605 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.356 -2.148 6.247 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.237 -0.468 6.217 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.927 -2.656 5.963 1.00 0.00 H new ATOM 1087 N LEU S 5 2.512 -1.422 4.404 1.00 0.00 N ATOM 1088 CA LEU S 5 1.832 -2.695 4.162 1.00 0.00 C ATOM 1089 C LEU S 5 2.818 -3.845 4.319 1.00 0.00 C ATOM 1090 O LEU S 5 3.777 -3.954 3.551 1.00 0.00 O ATOM 1091 CB LEU S 5 1.283 -2.714 2.737 1.00 0.00 C ATOM 1092 CG LEU S 5 0.406 -1.476 2.501 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.116 -1.477 1.046 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.764 -1.465 3.504 1.00 0.00 C ATOM 0 H LEU S 5 3.312 -1.250 3.795 1.00 0.00 H new ATOM 0 HA LEU S 5 1.019 -2.806 4.880 1.00 0.00 H new ATOM 0 HB2 LEU S 5 2.105 -2.731 2.021 1.00 0.00 H new ATOM 0 HB3 LEU S 5 0.700 -3.620 2.574 1.00 0.00 H new ATOM 0 HG LEU S 5 0.999 -0.574 2.655 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.738 -0.597 0.882 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.728 -1.458 0.357 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.707 -2.376 0.872 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -1.383 -0.584 3.332 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -1.366 -2.364 3.370 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -0.372 -1.439 4.521 1.00 0.00 H new ATOM 1106 N GLN S 6 2.571 -4.714 5.297 1.00 0.00 N ATOM 1107 CA GLN S 6 3.439 -5.869 5.523 1.00 0.00 C ATOM 1108 C GLN S 6 2.603 -7.141 5.504 1.00 0.00 C ATOM 1109 O GLN S 6 1.843 -7.416 6.438 1.00 0.00 O ATOM 1110 CB GLN S 6 4.149 -5.731 6.871 1.00 0.00 C ATOM 1111 CG GLN S 6 5.198 -6.833 7.002 1.00 0.00 C ATOM 1112 CD GLN S 6 5.859 -6.766 8.372 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.176 -6.728 9.396 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.161 -6.730 8.445 1.00 0.00 N ATOM 0 H GLN S 6 1.784 -4.642 5.941 1.00 0.00 H new ATOM 0 HA GLN S 6 4.189 -5.918 4.734 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.622 -4.752 6.948 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.427 -5.801 7.685 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.732 -7.808 6.862 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.950 -6.724 6.221 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.721 -6.762 7.593 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.619 -6.670 9.354 1.00 0.00 H new ATOM 1123 N ILE S 7 2.740 -7.910 4.425 1.00 0.00 N ATOM 1124 CA ILE S 7 1.983 -9.151 4.269 1.00 0.00 C ATOM 1125 C ILE S 7 2.922 -10.355 4.339 1.00 0.00 C ATOM 1126 O ILE S 7 3.732 -10.502 3.438 1.00 0.00 O ATOM 1127 CB ILE S 7 1.255 -9.147 2.913 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.699 -7.741 2.619 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.105 -10.157 2.952 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.037 -7.738 1.282 1.00 0.00 C ATOM 1131 OXT ILE S 7 2.813 -11.111 5.289 1.00 0.00 O ATOM 0 H ILE S 7 3.366 -7.697 3.648 1.00 0.00 H new ATOM 0 HA ILE S 7 1.253 -9.222 5.076 1.00 0.00 H new ATOM 0 HB ILE S 7 1.957 -9.422 2.126 1.00 0.00 H new ATOM 0 HG12 ILE S 7 0.022 -7.435 3.417 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.513 -7.017 2.597 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.413 -10.156 1.993 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.502 -11.153 3.150 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.594 -9.882 3.742 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.426 -6.740 1.083 1.00 0.00 H new ATOM 0 HD12 ILE S 7 0.652 -8.024 0.487 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.863 -8.449 1.320 1.00 0.00 H new TER 1143 ILE S 7 ATOM 1144 N ILE U 1 4.306 11.851 0.321 1.00 0.00 N ATOM 1145 CA ILE U 1 3.714 10.594 0.865 1.00 0.00 C ATOM 1146 C ILE U 1 4.724 9.464 0.746 1.00 0.00 C ATOM 1147 O ILE U 1 5.344 9.287 -0.307 1.00 0.00 O ATOM 1148 CB ILE U 1 2.405 10.259 0.069 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.258 9.927 1.033 1.00 0.00 C ATOM 1150 CG2 ILE U 1 2.591 9.081 -0.915 1.00 0.00 C ATOM 1151 CD1 ILE U 1 1.436 8.509 1.581 1.00 0.00 C ATOM 0 H1 ILE U 1 3.555 12.434 -0.100 1.00 0.00 H new ATOM 0 H2 ILE U 1 4.765 12.380 1.090 1.00 0.00 H new ATOM 0 H3 ILE U 1 5.011 11.616 -0.407 1.00 0.00 H new ATOM 0 HA ILE U 1 3.463 10.721 1.918 1.00 0.00 H new ATOM 0 HB ILE U 1 2.163 11.149 -0.512 1.00 0.00 H new ATOM 0 HG12 ILE U 1 1.241 10.644 1.853 1.00 0.00 H new ATOM 0 HG13 ILE U 1 0.301 10.010 0.517 1.00 0.00 H new ATOM 0 HG21 ILE U 1 1.654 8.893 -1.439 1.00 0.00 H new ATOM 0 HG22 ILE U 1 3.367 9.330 -1.639 1.00 0.00 H new ATOM 0 HG23 ILE U 1 2.883 8.188 -0.362 1.00 0.00 H new ATOM 0 HD11 ILE U 1 0.619 8.278 2.265 1.00 0.00 H new ATOM 0 HD12 ILE U 1 1.431 7.797 0.756 1.00 0.00 H new ATOM 0 HD13 ILE U 1 2.385 8.441 2.113 1.00 0.00 H new ATOM 1165 N HIS U 2 4.850 8.655 1.801 1.00 0.00 N ATOM 1166 CA HIS U 2 5.736 7.495 1.721 1.00 0.00 C ATOM 1167 C HIS U 2 4.889 6.223 1.761 1.00 0.00 C ATOM 1168 O HIS U 2 4.160 5.987 2.727 1.00 0.00 O ATOM 1169 CB HIS U 2 6.728 7.504 2.901 1.00 0.00 C ATOM 1170 CG HIS U 2 7.961 8.300 2.544 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.220 7.718 2.436 1.00 0.00 N ATOM 1172 CD2 HIS U 2 8.146 9.636 2.274 1.00 0.00 C ATOM 1173 CE1 HIS U 2 10.089 8.694 2.114 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.486 9.881 2.004 1.00 0.00 N ATOM 0 H HIS U 2 4.367 8.776 2.691 1.00 0.00 H new ATOM 0 HA HIS U 2 6.304 7.531 0.791 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.252 7.934 3.782 1.00 0.00 H new ATOM 0 HB3 HIS U 2 7.008 6.482 3.157 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.366 10.383 2.272 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.147 8.537 1.963 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.917 10.776 1.772 1.00 0.00 H new ATOM 1182 N VAL U 3 5.026 5.382 0.731 1.00 0.00 N ATOM 1183 CA VAL U 3 4.307 4.109 0.690 1.00 0.00 C ATOM 1184 C VAL U 3 5.302 2.959 0.706 1.00 0.00 C ATOM 1185 O VAL U 3 6.199 2.895 -0.143 1.00 0.00 O ATOM 1186 CB VAL U 3 3.426 4.037 -0.561 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.690 2.687 -0.577 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.406 5.209 -0.553 1.00 0.00 C ATOM 0 H VAL U 3 5.623 5.559 -0.077 1.00 0.00 H new ATOM 0 HA VAL U 3 3.664 4.033 1.567 1.00 0.00 H new ATOM 0 HB VAL U 3 4.043 4.121 -1.455 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.060 2.627 -1.464 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.418 1.876 -0.593 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.070 2.600 0.315 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.781 5.154 -1.445 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.778 5.139 0.335 1.00 0.00 H new ATOM 0 HG23 VAL U 3 2.942 6.158 -0.544 1.00 0.00 H new ATOM 1198 N HIS U 4 5.141 2.043 1.654 1.00 0.00 N ATOM 1199 CA HIS U 4 6.043 0.891 1.749 1.00 0.00 C ATOM 1200 C HIS U 4 5.247 -0.395 1.550 1.00 0.00 C ATOM 1201 O HIS U 4 4.224 -0.597 2.203 1.00 0.00 O ATOM 1202 CB HIS U 4 6.740 0.888 3.138 1.00 0.00 C ATOM 1203 CG HIS U 4 7.530 2.181 3.372 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.602 2.808 4.626 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.278 2.983 2.529 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.354 3.915 4.488 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.789 4.071 3.236 1.00 0.00 N ATOM 0 H HIS U 4 4.406 2.070 2.361 1.00 0.00 H new ATOM 0 HA HIS U 4 6.807 0.957 0.974 1.00 0.00 H new ATOM 0 HB2 HIS U 4 5.992 0.771 3.922 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.411 0.032 3.208 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.442 2.794 1.478 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.579 4.597 5.295 1.00 0.00 H new ATOM 1214 N LEU U 5 5.718 -1.268 0.651 1.00 0.00 N ATOM 1215 CA LEU U 5 5.032 -2.540 0.387 1.00 0.00 C ATOM 1216 C LEU U 5 5.992 -3.713 0.537 1.00 0.00 C ATOM 1217 O LEU U 5 7.018 -3.783 -0.144 1.00 0.00 O ATOM 1218 CB LEU U 5 4.422 -2.534 -1.023 1.00 0.00 C ATOM 1219 CG LEU U 5 3.854 -3.926 -1.358 1.00 0.00 C ATOM 1220 CD1 LEU U 5 2.797 -4.331 -0.324 1.00 0.00 C ATOM 1221 CD2 LEU U 5 3.227 -3.919 -2.767 1.00 0.00 C ATOM 0 H LEU U 5 6.563 -1.120 0.099 1.00 0.00 H new ATOM 0 HA LEU U 5 4.232 -2.654 1.118 1.00 0.00 H new ATOM 0 HB2 LEU U 5 3.632 -1.786 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU U 5 5.180 -2.256 -1.755 1.00 0.00 H new ATOM 0 HG LEU U 5 4.670 -4.649 -1.334 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.404 -5.317 -0.573 1.00 0.00 H new ATOM 0 HD12 LEU U 5 3.250 -4.360 0.667 1.00 0.00 H new ATOM 0 HD13 LEU U 5 1.985 -3.604 -0.330 1.00 0.00 H new ATOM 0 HD21 LEU U 5 2.829 -4.908 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.421 -3.186 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU U 5 3.988 -3.657 -3.502 1.00 0.00 H new ATOM 1233 N GLN U 6 5.632 -4.658 1.405 1.00 0.00 N ATOM 1234 CA GLN U 6 6.452 -5.848 1.614 1.00 0.00 C ATOM 1235 C GLN U 6 5.577 -7.097 1.640 1.00 0.00 C ATOM 1236 O GLN U 6 4.793 -7.296 2.567 1.00 0.00 O ATOM 1237 CB GLN U 6 7.214 -5.719 2.935 1.00 0.00 C ATOM 1238 CG GLN U 6 8.131 -6.930 3.125 1.00 0.00 C ATOM 1239 CD GLN U 6 8.831 -6.853 4.478 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.179 -6.813 5.527 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.135 -6.835 4.515 1.00 0.00 N ATOM 0 H GLN U 6 4.784 -4.622 1.971 1.00 0.00 H new ATOM 0 HA GLN U 6 7.163 -5.938 0.792 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.803 -4.802 2.938 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.511 -5.649 3.765 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.549 -7.850 3.060 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.871 -6.964 2.326 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.670 -6.868 3.647 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.619 -6.788 5.412 1.00 0.00 H new ATOM 1250 N ILE U 7 5.733 -7.946 0.621 1.00 0.00 N ATOM 1251 CA ILE U 7 4.965 -9.192 0.531 1.00 0.00 C ATOM 1252 C ILE U 7 5.894 -10.398 0.661 1.00 0.00 C ATOM 1253 O ILE U 7 6.839 -10.478 -0.104 1.00 0.00 O ATOM 1254 CB ILE U 7 4.200 -9.250 -0.808 1.00 0.00 C ATOM 1255 CG1 ILE U 7 3.791 -7.819 -1.238 1.00 0.00 C ATOM 1256 CG2 ILE U 7 2.956 -10.138 -0.661 1.00 0.00 C ATOM 1257 CD1 ILE U 7 4.903 -7.166 -2.068 1.00 0.00 C ATOM 1258 OXT ILE U 7 5.641 -11.224 1.523 1.00 0.00 O ATOM 0 H ILE U 7 6.382 -7.795 -0.151 1.00 0.00 H new ATOM 0 HA ILE U 7 4.244 -9.218 1.348 1.00 0.00 H new ATOM 0 HB ILE U 7 4.846 -9.678 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE U 7 2.870 -7.858 -1.820 1.00 0.00 H new ATOM 0 HG13 ILE U 7 3.585 -7.213 -0.356 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.421 -10.174 -1.610 1.00 0.00 H new ATOM 0 HG22 ILE U 7 3.260 -11.146 -0.377 1.00 0.00 H new ATOM 0 HG23 ILE U 7 2.303 -9.725 0.108 1.00 0.00 H new ATOM 0 HD11 ILE U 7 4.597 -6.162 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE U 7 5.815 -7.109 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE U 7 5.089 -7.763 -2.961 1.00 0.00 H new TER 1270 ILE U 7 ATOM 1271 N ILE W 1 7.620 11.840 -3.559 1.00 0.00 N ATOM 1272 CA ILE W 1 6.947 10.620 -3.022 1.00 0.00 C ATOM 1273 C ILE W 1 7.880 9.425 -3.140 1.00 0.00 C ATOM 1274 O ILE W 1 8.580 9.268 -4.146 1.00 0.00 O ATOM 1275 CB ILE W 1 5.650 10.350 -3.802 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.612 11.410 -3.415 1.00 0.00 C ATOM 1277 CG2 ILE W 1 5.123 8.937 -3.501 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.406 11.294 -4.337 1.00 0.00 C ATOM 0 H1 ILE W 1 7.751 12.530 -2.792 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.547 11.580 -3.953 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.032 12.260 -4.307 1.00 0.00 H new ATOM 0 HA ILE W 1 6.702 10.781 -1.972 1.00 0.00 H new ATOM 0 HB ILE W 1 5.847 10.408 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE W 1 4.306 11.274 -2.378 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.047 12.406 -3.491 1.00 0.00 H new ATOM 0 HG21 ILE W 1 4.205 8.764 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.871 8.200 -3.793 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.919 8.844 -2.434 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.666 12.046 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE W 1 3.720 11.451 -5.369 1.00 0.00 H new ATOM 0 HD13 ILE W 1 2.967 10.301 -4.239 1.00 0.00 H new ATOM 1292 N HIS W 2 7.870 8.562 -2.116 1.00 0.00 N ATOM 1293 CA HIS W 2 8.697 7.377 -2.147 1.00 0.00 C ATOM 1294 C HIS W 2 7.810 6.141 -2.213 1.00 0.00 C ATOM 1295 O HIS W 2 7.000 5.912 -1.315 1.00 0.00 O ATOM 1296 CB HIS W 2 9.505 7.336 -0.833 1.00 0.00 C ATOM 1297 CG HIS W 2 10.230 6.026 -0.708 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.502 5.408 0.524 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.772 5.219 -1.659 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.184 4.283 0.262 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.380 4.118 -1.051 1.00 0.00 N ATOM 0 H HIS W 2 7.304 8.670 -1.274 1.00 0.00 H new ATOM 0 HA HIS W 2 9.357 7.396 -3.014 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.220 8.159 -0.812 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.837 7.472 0.017 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.738 5.402 -2.723 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.532 3.595 1.018 1.00 0.00 H new ATOM 1308 N VAL W 3 7.995 5.318 -3.248 1.00 0.00 N ATOM 1309 CA VAL W 3 7.231 4.076 -3.367 1.00 0.00 C ATOM 1310 C VAL W 3 8.184 2.891 -3.364 1.00 0.00 C ATOM 1311 O VAL W 3 9.052 2.810 -4.238 1.00 0.00 O ATOM 1312 CB VAL W 3 6.421 4.088 -4.661 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.556 2.832 -4.728 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.532 5.338 -4.708 1.00 0.00 C ATOM 0 H VAL W 3 8.657 5.486 -4.005 1.00 0.00 H new ATOM 0 HA VAL W 3 6.548 3.990 -2.522 1.00 0.00 H new ATOM 0 HB VAL W 3 7.100 4.106 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL W 3 4.977 2.838 -5.651 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.195 1.949 -4.706 1.00 0.00 H new ATOM 0 HG13 VAL W 3 4.878 2.811 -3.874 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.957 5.341 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.851 5.332 -3.857 1.00 0.00 H new ATOM 0 HG23 VAL W 3 6.157 6.230 -4.666 1.00 0.00 H new ATOM 1324 N HIS W 4 8.027 1.952 -2.422 1.00 0.00 N ATOM 1325 CA HIS W 4 8.883 0.784 -2.397 1.00 0.00 C ATOM 1326 C HIS W 4 8.086 -0.504 -2.579 1.00 0.00 C ATOM 1327 O HIS W 4 7.103 -0.735 -1.874 1.00 0.00 O ATOM 1328 CB HIS W 4 9.674 0.788 -1.077 1.00 0.00 C ATOM 1329 CG HIS W 4 10.933 -0.018 -1.234 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.230 0.515 -1.111 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.096 -1.334 -1.508 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.092 -0.493 -1.315 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.456 -1.643 -1.557 1.00 0.00 N ATOM 0 H HIS W 4 7.324 1.986 -1.683 1.00 0.00 H new ATOM 0 HA HIS W 4 9.579 0.825 -3.235 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.920 1.811 -0.793 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.063 0.373 -0.275 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.293 -2.039 -1.665 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.167 -0.388 -1.287 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.876 -2.554 -1.739 1.00 0.00 H new ATOM 1341 N LEU W 5 8.539 -1.352 -3.515 1.00 0.00 N ATOM 1342 CA LEU W 5 7.872 -2.631 -3.785 1.00 0.00 C ATOM 1343 C LEU W 5 8.851 -3.781 -3.597 1.00 0.00 C ATOM 1344 O LEU W 5 9.792 -3.932 -4.379 1.00 0.00 O ATOM 1345 CB LEU W 5 7.371 -2.647 -5.229 1.00 0.00 C ATOM 1346 CG LEU W 5 6.504 -1.408 -5.492 1.00 0.00 C ATOM 1347 CD1 LEU W 5 6.021 -1.408 -6.961 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.308 -1.399 -4.522 1.00 0.00 C ATOM 0 H LEU W 5 9.360 -1.175 -4.094 1.00 0.00 H new ATOM 0 HA LEU W 5 7.037 -2.745 -3.094 1.00 0.00 H new ATOM 0 HB2 LEU W 5 8.216 -2.663 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU W 5 6.793 -3.553 -5.413 1.00 0.00 H new ATOM 0 HG LEU W 5 7.094 -0.507 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.406 -0.526 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.883 -1.392 -7.628 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.433 -2.306 -7.151 1.00 0.00 H new ATOM 0 HD21 LEU W 5 4.694 -0.519 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU W 5 4.710 -2.298 -4.673 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.673 -1.374 -3.495 1.00 0.00 H new ATOM 1360 N GLN W 6 8.617 -4.599 -2.571 1.00 0.00 N ATOM 1361 CA GLN W 6 9.482 -5.751 -2.307 1.00 0.00 C ATOM 1362 C GLN W 6 8.659 -7.029 -2.356 1.00 0.00 C ATOM 1363 O GLN W 6 7.868 -7.306 -1.453 1.00 0.00 O ATOM 1364 CB GLN W 6 10.144 -5.596 -0.937 1.00 0.00 C ATOM 1365 CG GLN W 6 11.132 -6.741 -0.722 1.00 0.00 C ATOM 1366 CD GLN W 6 11.762 -6.645 0.660 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.067 -6.684 1.674 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.057 -6.516 0.754 1.00 0.00 N ATOM 0 H GLN W 6 7.844 -4.488 -1.915 1.00 0.00 H new ATOM 0 HA GLN W 6 10.260 -5.804 -3.068 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.661 -4.638 -0.876 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.388 -5.601 -0.152 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.620 -7.697 -0.830 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.909 -6.708 -1.486 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.629 -6.484 -0.090 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.497 -6.447 1.671 1.00 0.00 H new ATOM 1377 N ILE W 7 8.850 -7.803 -3.423 1.00 0.00 N ATOM 1378 CA ILE W 7 8.116 -9.052 -3.602 1.00 0.00 C ATOM 1379 C ILE W 7 9.052 -10.249 -3.452 1.00 0.00 C ATOM 1380 O ILE W 7 9.942 -10.386 -4.273 1.00 0.00 O ATOM 1381 CB ILE W 7 7.471 -9.076 -4.999 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.920 -7.682 -5.349 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.332 -10.095 -5.010 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.259 -7.711 -6.725 1.00 0.00 C ATOM 1385 OXT ILE W 7 8.860 -11.012 -2.520 1.00 0.00 O ATOM 0 H ILE W 7 9.505 -7.587 -4.174 1.00 0.00 H new ATOM 0 HA ILE W 7 7.341 -9.114 -2.838 1.00 0.00 H new ATOM 0 HB ILE W 7 8.222 -9.355 -5.738 1.00 0.00 H new ATOM 0 HG12 ILE W 7 6.197 -7.368 -4.596 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.728 -6.950 -5.340 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.872 -10.116 -5.998 1.00 0.00 H new ATOM 0 HG22 ILE W 7 6.726 -11.083 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.585 -9.814 -4.268 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.872 -6.720 -6.964 1.00 0.00 H new ATOM 0 HD12 ILE W 7 6.993 -8.004 -7.475 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.439 -8.429 -6.720 1.00 0.00 H new TER 1397 ILE W 7 ATOM 1398 N ILE Y 1 10.294 11.928 -7.820 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.636 10.668 -7.361 1.00 0.00 C ATOM 1400 C ILE Y 1 10.661 9.542 -7.360 1.00 0.00 C ATOM 1401 O ILE Y 1 11.319 9.314 -8.374 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.444 10.333 -8.327 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.190 9.986 -7.516 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 8.766 9.164 -9.286 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 7.382 8.635 -6.826 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.599 12.702 -7.823 1.00 0.00 H new ATOM 0 H2 ILE Y 1 11.075 12.167 -7.176 1.00 0.00 H new ATOM 0 H3 ILE Y 1 10.667 11.794 -8.781 1.00 0.00 H new ATOM 0 HA ILE Y 1 9.247 10.788 -6.350 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.271 11.223 -8.933 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.999 10.761 -6.774 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 6.319 9.951 -8.171 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 7.908 8.975 -9.931 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 9.630 9.423 -9.898 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 8.988 8.268 -8.706 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 6.489 8.390 -6.250 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 7.552 7.864 -7.577 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 8.242 8.687 -6.158 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.741 8.782 -6.262 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.643 7.631 -6.247 1.00 0.00 C ATOM 1421 C HIS Y 2 10.795 6.363 -6.242 1.00 0.00 C ATOM 1422 O HIS Y 2 9.987 6.149 -5.338 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.528 7.663 -4.983 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.792 8.443 -5.249 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 15.051 7.850 -5.233 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 14.007 9.769 -5.536 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.951 8.812 -5.505 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.368 9.999 -5.697 1.00 0.00 N ATOM 0 H HIS Y 2 10.213 8.936 -5.403 1.00 0.00 H new ATOM 0 HA HIS Y 2 12.290 7.656 -7.124 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.979 8.117 -4.158 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.777 6.646 -4.679 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 13.235 10.519 -5.623 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 17.017 8.645 -5.561 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.824 10.885 -5.915 1.00 0.00 H new ATOM 1436 N VAL Y 3 11.015 5.512 -7.240 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.306 4.240 -7.336 1.00 0.00 C ATOM 1438 C VAL Y 3 11.304 3.097 -7.219 1.00 0.00 C ATOM 1439 O VAL Y 3 12.274 3.044 -7.978 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.550 4.156 -8.668 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.823 2.808 -8.750 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.535 5.322 -8.786 1.00 0.00 C ATOM 0 H VAL Y 3 11.680 5.681 -7.995 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.581 4.167 -6.525 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.259 4.236 -9.492 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.284 2.742 -9.695 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.550 1.998 -8.690 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.118 2.724 -7.923 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 8.006 5.249 -9.736 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.818 5.265 -7.967 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 9.066 6.273 -8.738 1.00 0.00 H new ATOM 1452 N HIS Y 4 11.071 2.174 -6.288 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.977 1.029 -6.119 1.00 0.00 C ATOM 1454 C HIS Y 4 11.217 -0.266 -6.385 1.00 0.00 C ATOM 1455 O HIS Y 4 10.144 -0.483 -5.821 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.565 1.023 -4.684 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.336 2.309 -4.386 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.316 2.923 -3.125 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.155 3.105 -5.164 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 14.093 4.022 -3.196 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.626 4.181 -4.413 1.00 0.00 N ATOM 0 H HIS Y 4 10.278 2.190 -5.647 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.799 1.112 -6.830 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.758 0.906 -3.960 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.227 0.165 -4.565 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.395 2.921 -6.201 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.265 4.695 -2.369 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.778 -1.131 -7.234 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.142 -2.414 -7.561 1.00 0.00 C ATOM 1470 C LEU Y 5 12.104 -3.569 -7.329 1.00 0.00 C ATOM 1471 O LEU Y 5 13.191 -3.611 -7.904 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.666 -2.410 -9.022 1.00 0.00 C ATOM 1473 CG LEU Y 5 10.160 -3.806 -9.413 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.035 -4.238 -8.470 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 9.641 -3.774 -10.859 1.00 0.00 C ATOM 0 H LEU Y 5 12.667 -0.969 -7.707 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.281 -2.547 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 9.871 -1.676 -9.152 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 11.484 -2.113 -9.679 1.00 0.00 H new ATOM 0 HG LEU Y 5 10.980 -4.520 -9.336 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.682 -5.229 -8.755 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 9.409 -4.266 -7.446 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 8.212 -3.527 -8.536 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 9.281 -4.764 -11.138 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.825 -3.056 -10.937 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 10.449 -3.479 -11.529 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.685 -4.526 -6.503 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.509 -5.700 -6.227 1.00 0.00 C ATOM 1489 C GLN Y 6 11.653 -6.961 -6.269 1.00 0.00 C ATOM 1490 O GLN Y 6 10.840 -7.200 -5.377 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.162 -5.559 -4.848 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.128 -6.724 -4.611 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.723 -6.644 -3.207 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.003 -6.492 -2.219 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.014 -6.727 -3.061 1.00 0.00 N ATOM 0 H GLN Y 6 10.788 -4.512 -6.017 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.287 -5.776 -6.987 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.697 -4.612 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.396 -5.546 -4.072 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.604 -7.671 -4.737 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 14.926 -6.700 -5.353 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.613 -6.853 -3.877 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.427 -6.666 -2.130 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.852 -7.771 -7.309 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.104 -9.021 -7.467 1.00 0.00 C ATOM 1506 C ILE Y 7 12.020 -10.220 -7.219 1.00 0.00 C ATOM 1507 O ILE Y 7 13.038 -10.309 -7.883 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.498 -9.099 -8.887 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.105 -7.682 -9.378 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.269 -10.020 -8.869 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 11.258 -7.037 -10.166 1.00 0.00 C ATOM 1512 OXT ILE Y 7 11.686 -11.029 -6.369 1.00 0.00 O ATOM 0 H ILE Y 7 12.523 -7.585 -8.054 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.296 -9.042 -6.736 1.00 0.00 H new ATOM 0 HB ILE Y 7 11.239 -9.508 -9.574 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 9.218 -7.744 -10.008 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 9.847 -7.055 -8.524 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.841 -10.075 -9.870 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 9.567 -11.018 -8.546 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 8.526 -9.622 -8.178 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 10.959 -6.044 -10.500 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 12.136 -6.955 -9.525 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 11.497 -7.655 -11.032 1.00 0.00 H new TER 1524 ILE Y 7 HETATM 1525 ZN ZN A 101 -14.223 -2.120 3.014 1.00 0.00 ZN HETATM 1526 ZN ZN C 101 -11.152 -5.674 -1.002 1.00 0.00 ZN HETATM 1527 ZN ZN E 101 -8.292 -2.259 -4.723 1.00 0.00 ZN HETATM 1528 ZN ZN G 101 -5.176 -5.833 -8.830 1.00 0.00 ZN HETATM 1529 ZN ZN I 101 -2.459 -2.389 -12.538 1.00 0.00 ZN HETATM 1530 ZN ZN K 101 0.425 -5.664 -16.522 1.00 0.00 ZN HETATM 1531 ZN ZN O 101 0.967 1.819 14.208 1.00 0.00 ZN HETATM 1532 ZN ZN Q 101 3.810 5.637 10.300 1.00 0.00 ZN HETATM 1533 ZN ZN S 101 6.737 2.318 6.450 1.00 0.00 ZN HETATM 1534 ZN ZN U 101 9.703 5.841 2.432 1.00 0.00 ZN HETATM 1535 ZN ZN W 101 12.627 2.408 -1.061 1.00 0.00 ZN HETATM 1536 ZN ZN Y 101 15.555 5.794 -5.092 1.00 0.00 ZN