USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=6 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= 0.861 K(o=1.5,f=-0.3) USER MOD Set 1.2: Q 6 GLN : amide:sc= 1.01 K(o=1.5,f=-4.7!) USER MOD Set 1.3: S 6 GLN : amide:sc= 0.0875 K(o=1.5,f=-8.5!) USER MOD Set 1.4: U 6 GLN : amide:sc= 0.361 K(o=1.5,f=-6.6!) USER MOD Set 1.5: W 6 GLN : amide:sc= -0.294 K(o=1.5,f=-7!) USER MOD Set 1.6: Y 6 GLN : amide:sc= -0.532 K(o=1.5,f=-8.9!) USER MOD Set 2.1: A 6 GLN : amide:sc= 1.12 K(o=3.2,f=0.82) USER MOD Set 2.2: C 6 GLN : amide:sc= 1.34 K(o=3.2,f=-4.1!) USER MOD Set 2.3: E 6 GLN : amide:sc= 0.352 K(o=3.2,f=-8!) USER MOD Set 2.4: G 6 GLN : amide:sc= 0.636 K(o=3.2,f=-4.7!) USER MOD Set 2.5: I 6 GLN : amide:sc= -0.122 K(o=3.2,f=-6.2!) USER MOD Set 2.6: K 6 GLN : amide:sc= -0.162 K(o=3.2,f=-6.9!) USER MOD Single : A 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 1 ILE N :NH3+ -154:sc= -0.152 (180deg=-0.95) USER MOD Single : E 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : G 1 ILE N :NH3+ -151:sc= -0.115 (180deg=-0.909) USER MOD Single : I 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : K 1 ILE N :NH3+ -136:sc= -0.138 (180deg=-1.02) USER MOD Single : O 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Q 1 ILE N :NH3+ -153:sc= -0.165 (180deg=-0.905) USER MOD Single : S 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : U 1 ILE N :NH3+ -153:sc= -0.133 (180deg=-0.923) USER MOD Single : W 1 ILE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 1 ILE N :NH3+ -153:sc= -0.132 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.688 -11.566 7.218 1.00 0.00 N ATOM 2 CA ILE A 1 -11.727 -10.294 7.994 1.00 0.00 C ATOM 3 C ILE A 1 -11.636 -9.104 7.032 1.00 0.00 C ATOM 4 O ILE A 1 -10.720 -9.014 6.205 1.00 0.00 O ATOM 5 CB ILE A 1 -10.558 -10.285 9.014 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.934 -9.463 10.258 1.00 0.00 C ATOM 7 CG2 ILE A 1 -9.292 -9.718 8.376 1.00 0.00 C ATOM 8 CD1 ILE A 1 -11.368 -8.050 9.855 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.750 -12.373 7.871 1.00 0.00 H new ATOM 0 H2 ILE A 1 -12.490 -11.594 6.556 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.797 -11.620 6.684 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.665 -10.214 8.543 1.00 0.00 H new ATOM 0 HB ILE A 1 -10.365 -11.314 9.318 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.741 -9.958 10.798 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.083 -9.409 10.937 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -8.484 -9.720 9.107 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -9.009 -10.332 7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -9.478 -8.697 8.044 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -11.631 -7.482 10.747 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -10.549 -7.552 9.336 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -12.233 -8.110 9.195 1.00 0.00 H new ATOM 22 N HIS A 2 -12.579 -8.178 7.151 1.00 0.00 N ATOM 23 CA HIS A 2 -12.571 -7.005 6.326 1.00 0.00 C ATOM 24 C HIS A 2 -12.335 -5.794 7.215 1.00 0.00 C ATOM 25 O HIS A 2 -13.126 -5.536 8.123 1.00 0.00 O ATOM 26 CB HIS A 2 -13.964 -6.940 5.674 1.00 0.00 C ATOM 27 CG HIS A 2 -14.240 -5.591 5.086 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.533 -5.060 5.012 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.422 -4.679 4.494 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.446 -3.880 4.389 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.191 -3.592 4.047 1.00 0.00 N ATOM 0 H HIS A 2 -13.353 -8.228 7.814 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.791 -7.026 5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -14.036 -7.698 4.894 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.725 -7.175 6.418 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.385 -5.493 5.368 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.352 -4.776 4.385 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.291 -3.238 4.187 1.00 0.00 H new ATOM 38 N VAL A 3 -11.278 -5.025 6.940 1.00 0.00 N ATOM 39 CA VAL A 3 -11.009 -3.814 7.721 1.00 0.00 C ATOM 40 C VAL A 3 -11.070 -2.607 6.809 1.00 0.00 C ATOM 41 O VAL A 3 -10.303 -2.526 5.847 1.00 0.00 O ATOM 42 CB VAL A 3 -9.624 -3.885 8.372 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.411 -2.626 9.212 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.516 -5.133 9.267 1.00 0.00 C ATOM 0 H VAL A 3 -10.605 -5.214 6.197 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.761 -3.731 8.506 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.861 -3.950 7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.428 -2.664 9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.474 -1.746 8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.179 -2.569 9.983 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.526 -5.170 9.722 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.274 -5.087 10.049 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.671 -6.028 8.664 1.00 0.00 H new ATOM 54 N HIS A 4 -11.950 -1.651 7.112 1.00 0.00 N ATOM 55 CA HIS A 4 -12.057 -0.447 6.321 1.00 0.00 C ATOM 56 C HIS A 4 -11.744 0.788 7.154 1.00 0.00 C ATOM 57 O HIS A 4 -12.276 0.957 8.251 1.00 0.00 O ATOM 58 CB HIS A 4 -13.467 -0.376 5.703 1.00 0.00 C ATOM 59 CG HIS A 4 -13.430 0.448 4.442 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.748 -0.056 3.170 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.108 1.751 4.259 1.00 0.00 C ATOM 62 CE1 HIS A 4 -13.603 0.953 2.296 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.218 2.079 2.905 1.00 0.00 N ATOM 0 H HIS A 4 -12.594 -1.697 7.902 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.321 -0.475 5.517 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.828 -1.380 5.482 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.165 0.064 6.416 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.811 2.434 5.042 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.776 0.866 1.234 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.042 2.986 2.473 1.00 0.00 H new ATOM 71 N LEU A 5 -10.883 1.657 6.624 1.00 0.00 N ATOM 72 CA LEU A 5 -10.511 2.887 7.323 1.00 0.00 C ATOM 73 C LEU A 5 -10.899 4.092 6.483 1.00 0.00 C ATOM 74 O LEU A 5 -10.342 4.307 5.406 1.00 0.00 O ATOM 75 CB LEU A 5 -9.001 2.906 7.543 1.00 0.00 C ATOM 76 CG LEU A 5 -8.564 1.623 8.254 1.00 0.00 C ATOM 77 CD1 LEU A 5 -7.039 1.641 8.445 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.275 1.510 9.615 1.00 0.00 C ATOM 0 H LEU A 5 -10.432 1.533 5.718 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.029 2.925 8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.486 2.996 6.586 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.722 3.775 8.138 1.00 0.00 H new ATOM 0 HG LEU A 5 -8.837 0.758 7.649 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.725 0.728 8.951 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.551 1.703 7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.758 2.505 9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.959 0.595 10.116 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.016 2.369 10.233 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.354 1.486 9.461 1.00 0.00 H new ATOM 90 N GLN A 6 -11.838 4.889 6.985 1.00 0.00 N ATOM 91 CA GLN A 6 -12.271 6.094 6.278 1.00 0.00 C ATOM 92 C GLN A 6 -12.118 7.284 7.212 1.00 0.00 C ATOM 93 O GLN A 6 -12.863 7.420 8.184 1.00 0.00 O ATOM 94 CB GLN A 6 -13.731 5.956 5.834 1.00 0.00 C ATOM 95 CG GLN A 6 -14.106 7.144 4.943 1.00 0.00 C ATOM 96 CD GLN A 6 -15.584 7.076 4.572 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.439 6.929 5.445 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.937 7.157 3.317 1.00 0.00 N ATOM 0 H GLN A 6 -12.312 4.725 7.873 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.658 6.239 5.388 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.871 5.021 5.291 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.386 5.919 6.705 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.896 8.079 5.463 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.496 7.138 4.040 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.227 7.279 2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.922 7.098 3.060 1.00 0.00 H new ATOM 107 N ILE A 7 -11.132 8.139 6.927 1.00 0.00 N ATOM 108 CA ILE A 7 -10.876 9.314 7.770 1.00 0.00 C ATOM 109 C ILE A 7 -10.856 10.583 6.920 1.00 0.00 C ATOM 110 O ILE A 7 -11.003 11.653 7.488 1.00 0.00 O ATOM 111 CB ILE A 7 -9.525 9.164 8.509 1.00 0.00 C ATOM 112 CG1 ILE A 7 -9.300 7.696 8.893 1.00 0.00 C ATOM 113 CG2 ILE A 7 -9.522 10.030 9.787 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.955 7.562 9.612 1.00 0.00 C ATOM 115 OXT ILE A 7 -10.700 10.465 5.716 1.00 0.00 O ATOM 0 H ILE A 7 -10.504 8.043 6.129 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.678 9.389 8.505 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.725 9.494 7.846 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.107 7.349 9.539 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.313 7.069 8.002 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.567 9.918 10.300 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.669 11.076 9.518 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.328 9.708 10.446 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.791 6.520 9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.154 7.893 8.951 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.960 8.178 10.511 1.00 0.00 H new TER 127 ILE A 7 ATOM 128 N ILE C 1 -8.167 -11.813 3.619 1.00 0.00 N ATOM 129 CA ILE C 1 -8.152 -10.543 4.399 1.00 0.00 C ATOM 130 C ILE C 1 -8.199 -9.361 3.422 1.00 0.00 C ATOM 131 O ILE C 1 -7.322 -9.216 2.552 1.00 0.00 O ATOM 132 CB ILE C 1 -6.862 -10.485 5.251 1.00 0.00 C ATOM 133 CG1 ILE C 1 -6.839 -11.662 6.244 1.00 0.00 C ATOM 134 CG2 ILE C 1 -6.776 -9.141 6.001 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.454 -11.754 6.884 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.568 -12.574 4.203 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.747 -11.689 2.765 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.196 -12.063 3.344 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.015 -10.495 5.062 1.00 0.00 H new ATOM 0 HB ILE C 1 -5.997 -10.565 4.593 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.599 -11.520 7.012 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.077 -12.593 5.729 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -5.863 -9.114 6.596 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -6.764 -8.323 5.281 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -7.640 -9.034 6.657 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.433 -12.586 7.588 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.705 -11.916 6.109 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.235 -10.826 7.412 1.00 0.00 H new ATOM 149 N HIS C 2 -9.226 -8.508 3.548 1.00 0.00 N ATOM 150 CA HIS C 2 -9.326 -7.334 2.665 1.00 0.00 C ATOM 151 C HIS C 2 -9.116 -6.063 3.484 1.00 0.00 C ATOM 152 O HIS C 2 -9.861 -5.806 4.430 1.00 0.00 O ATOM 153 CB HIS C 2 -10.722 -7.288 1.995 1.00 0.00 C ATOM 154 CG HIS C 2 -10.734 -8.109 0.725 1.00 0.00 C ATOM 155 ND1 HIS C 2 -10.927 -7.538 -0.532 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.591 -9.457 0.501 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.891 -8.535 -1.436 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.690 -9.722 -0.859 1.00 0.00 N ATOM 0 H HIS C 2 -9.978 -8.602 4.230 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.561 -7.405 1.891 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.475 -7.667 2.686 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -10.988 -6.256 1.769 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.426 -10.200 1.268 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.010 -8.392 -2.500 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.623 -10.630 -1.319 1.00 0.00 H new ATOM 166 N VAL C 3 -8.137 -5.241 3.090 1.00 0.00 N ATOM 167 CA VAL C 3 -7.895 -3.968 3.774 1.00 0.00 C ATOM 168 C VAL C 3 -8.146 -2.806 2.818 1.00 0.00 C ATOM 169 O VAL C 3 -7.539 -2.735 1.741 1.00 0.00 O ATOM 170 CB VAL C 3 -6.459 -3.918 4.301 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.229 -2.577 5.005 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.238 -5.071 5.296 1.00 0.00 C ATOM 0 H VAL C 3 -7.507 -5.432 2.311 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.580 -3.884 4.618 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.758 -4.020 3.473 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.207 -2.535 5.383 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.388 -1.763 4.298 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.928 -2.478 5.836 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.215 -5.036 5.672 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -6.934 -4.972 6.129 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.407 -6.023 4.793 1.00 0.00 H new ATOM 182 N HIS C 4 -9.019 -1.884 3.216 1.00 0.00 N ATOM 183 CA HIS C 4 -9.318 -0.712 2.385 1.00 0.00 C ATOM 184 C HIS C 4 -8.947 0.566 3.141 1.00 0.00 C ATOM 185 O HIS C 4 -9.366 0.746 4.286 1.00 0.00 O ATOM 186 CB HIS C 4 -10.831 -0.698 2.024 1.00 0.00 C ATOM 187 CG HIS C 4 -11.266 -1.993 1.326 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.494 -2.613 1.596 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.666 -2.787 0.365 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.578 -3.711 0.823 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.496 -3.867 0.056 1.00 0.00 N ATOM 0 H HIS C 4 -9.529 -1.921 4.099 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.734 -0.762 1.466 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.419 -0.560 2.931 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.041 0.152 1.375 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.700 -2.600 -0.080 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.421 -4.386 0.823 1.00 0.00 H new ATOM 198 N LEU C 5 -8.183 1.465 2.501 1.00 0.00 N ATOM 199 CA LEU C 5 -7.796 2.737 3.140 1.00 0.00 C ATOM 200 C LEU C 5 -8.259 3.918 2.301 1.00 0.00 C ATOM 201 O LEU C 5 -7.888 4.046 1.133 1.00 0.00 O ATOM 202 CB LEU C 5 -6.270 2.808 3.334 1.00 0.00 C ATOM 203 CG LEU C 5 -5.846 4.209 3.829 1.00 0.00 C ATOM 204 CD1 LEU C 5 -6.513 4.529 5.171 1.00 0.00 C ATOM 205 CD2 LEU C 5 -4.324 4.243 4.002 1.00 0.00 C ATOM 0 H LEU C 5 -7.824 1.340 1.554 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.278 2.782 4.116 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.954 2.052 4.053 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.768 2.582 2.393 1.00 0.00 H new ATOM 0 HG LEU C 5 -6.158 4.952 3.095 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -6.203 5.519 5.504 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -7.596 4.509 5.053 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -6.215 3.787 5.912 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -4.019 5.230 4.351 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -4.024 3.491 4.732 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -3.844 4.032 3.046 1.00 0.00 H new ATOM 217 N GLN C 6 -9.043 4.800 2.919 1.00 0.00 N ATOM 218 CA GLN C 6 -9.527 5.998 2.238 1.00 0.00 C ATOM 219 C GLN C 6 -9.369 7.203 3.158 1.00 0.00 C ATOM 220 O GLN C 6 -10.017 7.298 4.201 1.00 0.00 O ATOM 221 CB GLN C 6 -10.995 5.814 1.840 1.00 0.00 C ATOM 222 CG GLN C 6 -11.476 7.039 1.057 1.00 0.00 C ATOM 223 CD GLN C 6 -12.957 6.901 0.728 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.790 6.815 1.629 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.333 6.867 -0.522 1.00 0.00 N ATOM 0 H GLN C 6 -9.355 4.708 3.886 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.943 6.165 1.333 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.107 4.916 1.233 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.608 5.676 2.730 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.308 7.943 1.642 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.899 7.142 0.138 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.639 6.939 -1.266 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.321 6.769 -0.755 1.00 0.00 H new ATOM 234 N ILE C 7 -8.493 8.121 2.768 1.00 0.00 N ATOM 235 CA ILE C 7 -8.242 9.317 3.566 1.00 0.00 C ATOM 236 C ILE C 7 -7.766 10.462 2.677 1.00 0.00 C ATOM 237 O ILE C 7 -7.923 10.353 1.473 1.00 0.00 O ATOM 238 CB ILE C 7 -7.193 9.018 4.653 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.915 8.494 4.001 1.00 0.00 C ATOM 240 CG2 ILE C 7 -7.732 7.972 5.627 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.804 8.401 5.050 1.00 0.00 C ATOM 242 OXT ILE C 7 -7.254 11.430 3.215 1.00 0.00 O ATOM 0 H ILE C 7 -7.947 8.062 1.909 1.00 0.00 H new ATOM 0 HA ILE C 7 -9.174 9.616 4.047 1.00 0.00 H new ATOM 0 HB ILE C 7 -6.976 9.936 5.198 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.095 7.514 3.560 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -5.610 9.157 3.191 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -6.983 7.767 6.392 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -8.640 8.348 6.099 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -7.958 7.053 5.086 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -3.893 8.027 4.583 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -4.617 9.389 5.470 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -5.110 7.721 5.845 1.00 0.00 H new TER 254 ILE C 7 ATOM 255 N ILE E 1 -5.304 -11.671 -0.520 1.00 0.00 N ATOM 256 CA ILE E 1 -5.299 -10.400 0.255 1.00 0.00 C ATOM 257 C ILE E 1 -5.371 -9.214 -0.701 1.00 0.00 C ATOM 258 O ILE E 1 -4.566 -9.098 -1.641 1.00 0.00 O ATOM 259 CB ILE E 1 -4.024 -10.338 1.122 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.261 -9.449 2.348 1.00 0.00 C ATOM 261 CG2 ILE E 1 -2.840 -9.816 0.310 1.00 0.00 C ATOM 262 CD1 ILE E 1 -4.614 -8.010 1.952 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.255 -12.477 0.135 1.00 0.00 H new ATOM 0 H2 ILE E 1 -6.178 -11.733 -1.080 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.482 -11.692 -1.157 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.168 -10.360 0.911 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.788 -11.348 1.458 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -5.067 -9.868 2.950 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -3.367 -9.445 2.972 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -1.953 -9.781 0.942 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -2.658 -10.480 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -3.064 -8.814 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -4.774 -7.414 2.851 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -3.796 -7.581 1.373 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -5.523 -8.011 1.351 1.00 0.00 H new ATOM 276 N HIS E 2 -6.326 -8.319 -0.456 1.00 0.00 N ATOM 277 CA HIS E 2 -6.455 -7.148 -1.293 1.00 0.00 C ATOM 278 C HIS E 2 -6.150 -5.907 -0.468 1.00 0.00 C ATOM 279 O HIS E 2 -6.830 -5.650 0.525 1.00 0.00 O ATOM 280 CB HIS E 2 -7.916 -7.113 -1.781 1.00 0.00 C ATOM 281 CG HIS E 2 -8.257 -5.782 -2.384 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.534 -5.208 -2.285 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.518 -4.923 -3.136 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.510 -4.060 -2.970 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.315 -3.831 -3.512 1.00 0.00 N ATOM 0 H HIS E 2 -7.005 -8.387 0.302 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.765 -7.178 -2.136 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.074 -7.900 -2.518 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.586 -7.319 -0.946 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.480 -5.060 -3.402 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.357 -3.398 -3.072 1.00 0.00 H new ATOM 292 N VAL E 3 -5.168 -5.106 -0.899 1.00 0.00 N ATOM 293 CA VAL E 3 -4.854 -3.861 -0.191 1.00 0.00 C ATOM 294 C VAL E 3 -5.079 -2.683 -1.114 1.00 0.00 C ATOM 295 O VAL E 3 -4.428 -2.594 -2.160 1.00 0.00 O ATOM 296 CB VAL E 3 -3.394 -3.854 0.271 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.117 -2.556 1.034 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.116 -5.064 1.180 1.00 0.00 C ATOM 0 H VAL E 3 -4.588 -5.292 -1.717 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.505 -3.788 0.680 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.740 -3.917 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.079 -2.544 1.366 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.299 -1.703 0.380 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.776 -2.495 1.900 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.074 -5.046 1.501 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.766 -5.019 2.054 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.311 -5.985 0.630 1.00 0.00 H new ATOM 308 N HIS E 4 -5.954 -1.751 -0.729 1.00 0.00 N ATOM 309 CA HIS E 4 -6.182 -0.575 -1.535 1.00 0.00 C ATOM 310 C HIS E 4 -5.826 0.688 -0.770 1.00 0.00 C ATOM 311 O HIS E 4 -6.263 0.879 0.367 1.00 0.00 O ATOM 312 CB HIS E 4 -7.642 -0.565 -2.018 1.00 0.00 C ATOM 313 CG HIS E 4 -7.750 0.236 -3.289 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.116 -0.306 -4.535 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.541 1.556 -3.505 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.112 0.700 -5.423 1.00 0.00 C ATOM 317 NE2 HIS E 4 -7.772 1.859 -4.850 1.00 0.00 N ATOM 0 H HIS E 4 -6.505 -1.797 0.128 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.531 -0.602 -2.409 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -7.986 -1.585 -2.189 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.286 -0.136 -1.250 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.241 2.268 -2.751 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.353 0.587 -6.470 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -7.697 2.772 -5.299 1.00 0.00 H new ATOM 325 N LEU E 5 -5.042 1.561 -1.406 1.00 0.00 N ATOM 326 CA LEU E 5 -4.635 2.816 -0.781 1.00 0.00 C ATOM 327 C LEU E 5 -5.134 3.998 -1.596 1.00 0.00 C ATOM 328 O LEU E 5 -4.700 4.199 -2.730 1.00 0.00 O ATOM 329 CB LEU E 5 -3.109 2.888 -0.715 1.00 0.00 C ATOM 330 CG LEU E 5 -2.553 1.625 -0.051 1.00 0.00 C ATOM 331 CD1 LEU E 5 -1.014 1.714 0.012 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.147 1.473 1.358 1.00 0.00 C ATOM 0 H LEU E 5 -4.679 1.421 -2.349 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.061 2.854 0.222 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.698 2.992 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.802 3.770 -0.152 1.00 0.00 H new ATOM 0 HG LEU E 5 -2.830 0.749 -0.637 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -0.617 0.816 0.484 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -0.613 1.801 -0.998 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -0.724 2.589 0.594 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -2.748 0.573 1.826 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -2.883 2.342 1.960 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -4.232 1.396 1.289 1.00 0.00 H new ATOM 344 N GLN E 6 -6.025 4.796 -1.010 1.00 0.00 N ATOM 345 CA GLN E 6 -6.549 5.979 -1.692 1.00 0.00 C ATOM 346 C GLN E 6 -6.352 7.194 -0.794 1.00 0.00 C ATOM 347 O GLN E 6 -7.016 7.332 0.239 1.00 0.00 O ATOM 348 CB GLN E 6 -8.034 5.784 -2.019 1.00 0.00 C ATOM 349 CG GLN E 6 -8.540 6.970 -2.847 1.00 0.00 C ATOM 350 CD GLN E 6 -10.040 6.835 -3.106 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.834 6.771 -2.168 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.476 6.791 -4.337 1.00 0.00 N ATOM 0 H GLN E 6 -6.397 4.647 -0.072 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.014 6.133 -2.629 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.176 4.855 -2.572 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.611 5.698 -1.098 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.338 7.903 -2.320 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -8.003 7.016 -3.795 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.817 6.844 -5.114 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.475 6.704 -4.521 1.00 0.00 H new ATOM 361 N ILE E 7 -5.419 8.067 -1.184 1.00 0.00 N ATOM 362 CA ILE E 7 -5.115 9.272 -0.399 1.00 0.00 C ATOM 363 C ILE E 7 -5.275 10.519 -1.263 1.00 0.00 C ATOM 364 O ILE E 7 -5.455 11.587 -0.700 1.00 0.00 O ATOM 365 CB ILE E 7 -3.671 9.206 0.146 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.345 7.760 0.563 1.00 0.00 C ATOM 367 CG2 ILE E 7 -3.511 10.152 1.360 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.914 7.686 1.107 1.00 0.00 C ATOM 369 OXT ILE E 7 -5.220 10.389 -2.476 1.00 0.00 O ATOM 0 H ILE E 7 -4.863 7.965 -2.033 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.812 9.322 0.437 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.981 9.523 -0.636 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -4.050 7.423 1.323 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.454 7.092 -0.292 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -2.489 10.095 1.733 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -3.729 11.175 1.055 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -4.202 9.853 2.148 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.689 6.661 1.400 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.214 8.004 0.334 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.820 8.340 1.974 1.00 0.00 H new TER 381 ILE E 7 ATOM 382 N ILE G 1 -1.810 -11.808 -4.321 1.00 0.00 N ATOM 383 CA ILE G 1 -1.829 -10.540 -3.539 1.00 0.00 C ATOM 384 C ILE G 1 -1.959 -9.361 -4.510 1.00 0.00 C ATOM 385 O ILE G 1 -1.109 -9.173 -5.401 1.00 0.00 O ATOM 386 CB ILE G 1 -0.520 -10.423 -2.726 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.417 -11.593 -1.730 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.465 -9.075 -1.987 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.991 -11.626 -1.142 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.206 -12.578 -3.744 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.380 -11.693 -5.183 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.830 -12.040 -4.582 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.674 -10.533 -2.850 1.00 0.00 H new ATOM 0 HB ILE G 1 0.327 -10.469 -3.410 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.154 -11.476 -0.935 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.637 -12.535 -2.232 1.00 0.00 H new ATOM 0 HG21 ILE G 1 0.463 -9.009 -1.419 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.506 -8.261 -2.711 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.313 -8.998 -1.306 1.00 0.00 H new ATOM 0 HD11 ILE G 1 1.071 -12.452 -0.436 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.717 -11.762 -1.944 1.00 0.00 H new ATOM 0 HD13 ILE G 1 1.192 -10.687 -0.626 1.00 0.00 H new ATOM 403 N HIS G 2 -3.026 -8.559 -4.354 1.00 0.00 N ATOM 404 CA HIS G 2 -3.207 -7.394 -5.237 1.00 0.00 C ATOM 405 C HIS G 2 -3.021 -6.107 -4.437 1.00 0.00 C ATOM 406 O HIS G 2 -3.737 -5.867 -3.462 1.00 0.00 O ATOM 407 CB HIS G 2 -4.625 -7.409 -5.858 1.00 0.00 C ATOM 408 CG HIS G 2 -4.651 -8.242 -7.122 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.909 -7.691 -8.374 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.475 -9.589 -7.338 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.879 -8.695 -9.271 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.619 -9.870 -8.693 1.00 0.00 N ATOM 0 H HIS G 2 -3.753 -8.688 -3.651 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.466 -7.441 -6.035 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.338 -7.811 -5.138 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -4.939 -6.390 -6.083 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.258 -10.318 -6.572 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.045 -8.565 -10.330 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.542 -10.780 -9.148 1.00 0.00 H new ATOM 420 N VAL G 3 -2.090 -5.257 -4.884 1.00 0.00 N ATOM 421 CA VAL G 3 -1.860 -3.967 -4.231 1.00 0.00 C ATOM 422 C VAL G 3 -2.193 -2.831 -5.192 1.00 0.00 C ATOM 423 O VAL G 3 -1.627 -2.756 -6.292 1.00 0.00 O ATOM 424 CB VAL G 3 -0.400 -3.870 -3.790 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.161 -2.518 -3.115 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.091 -5.004 -2.802 1.00 0.00 C ATOM 0 H VAL G 3 -1.489 -5.438 -5.688 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.504 -3.886 -3.356 1.00 0.00 H new ATOM 0 HB VAL G 3 0.252 -3.959 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.880 -2.448 -2.800 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.382 -1.716 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.810 -2.426 -2.244 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.950 -4.937 -2.486 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.741 -4.915 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.262 -5.965 -3.286 1.00 0.00 H new ATOM 436 N HIS G 4 -3.080 -1.929 -4.776 1.00 0.00 N ATOM 437 CA HIS G 4 -3.446 -0.782 -5.619 1.00 0.00 C ATOM 438 C HIS G 4 -3.084 0.521 -4.904 1.00 0.00 C ATOM 439 O HIS G 4 -3.467 0.713 -3.749 1.00 0.00 O ATOM 440 CB HIS G 4 -4.971 -0.822 -5.925 1.00 0.00 C ATOM 441 CG HIS G 4 -5.386 -2.139 -6.592 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.587 -2.795 -6.282 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.781 -2.932 -7.550 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.650 -3.911 -7.033 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.580 -4.045 -7.819 1.00 0.00 N ATOM 0 H HIS G 4 -3.555 -1.964 -3.874 1.00 0.00 H new ATOM 0 HA HIS G 4 -2.896 -0.833 -6.559 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.531 -0.692 -4.999 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.233 0.013 -6.575 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.832 -2.722 -8.020 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.469 -4.614 -7.003 1.00 0.00 H new ATOM 452 N LEU G 5 -2.369 1.428 -5.589 1.00 0.00 N ATOM 453 CA LEU G 5 -1.995 2.723 -4.987 1.00 0.00 C ATOM 454 C LEU G 5 -2.528 3.874 -5.827 1.00 0.00 C ATOM 455 O LEU G 5 -2.187 4.011 -7.004 1.00 0.00 O ATOM 456 CB LEU G 5 -0.468 2.838 -4.853 1.00 0.00 C ATOM 457 CG LEU G 5 -0.069 4.252 -4.386 1.00 0.00 C ATOM 458 CD1 LEU G 5 -0.678 4.545 -3.012 1.00 0.00 C ATOM 459 CD2 LEU G 5 1.455 4.340 -4.292 1.00 0.00 C ATOM 0 H LEU G 5 -2.041 1.294 -6.546 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.439 2.775 -3.993 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.103 2.098 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU G 5 0.004 2.619 -5.811 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.441 4.983 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU G 5 -0.390 5.546 -2.692 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -1.764 4.483 -3.075 1.00 0.00 H new ATOM 0 HD13 LEU G 5 -0.314 3.814 -2.289 1.00 0.00 H new ATOM 0 HD21 LEU G 5 1.742 5.338 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU G 5 1.819 3.603 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU G 5 1.892 4.142 -5.271 1.00 0.00 H new ATOM 471 N GLN G 6 -3.338 4.724 -5.200 1.00 0.00 N ATOM 472 CA GLN G 6 -3.891 5.893 -5.878 1.00 0.00 C ATOM 473 C GLN G 6 -3.741 7.115 -4.985 1.00 0.00 C ATOM 474 O GLN G 6 -4.375 7.213 -3.930 1.00 0.00 O ATOM 475 CB GLN G 6 -5.364 5.652 -6.222 1.00 0.00 C ATOM 476 CG GLN G 6 -5.916 6.856 -6.990 1.00 0.00 C ATOM 477 CD GLN G 6 -7.399 6.666 -7.281 1.00 0.00 C ATOM 478 OE1 GLN G 6 -8.216 6.570 -6.359 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.793 6.593 -8.524 1.00 0.00 N ATOM 0 H GLN G 6 -3.625 4.625 -4.226 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.347 6.066 -6.807 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.464 4.748 -6.822 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.940 5.495 -5.310 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.767 7.766 -6.409 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.369 6.981 -7.924 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -7.113 6.673 -9.280 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.781 6.456 -8.739 1.00 0.00 H new ATOM 488 N ILE G 7 -2.893 8.044 -5.420 1.00 0.00 N ATOM 489 CA ILE G 7 -2.642 9.265 -4.662 1.00 0.00 C ATOM 490 C ILE G 7 -2.268 10.411 -5.599 1.00 0.00 C ATOM 491 O ILE G 7 -2.476 10.268 -6.791 1.00 0.00 O ATOM 492 CB ILE G 7 -1.517 9.021 -3.643 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.242 8.579 -4.366 1.00 0.00 C ATOM 494 CG2 ILE G 7 -1.946 7.932 -2.665 1.00 0.00 C ATOM 495 CD1 ILE G 7 0.922 8.543 -3.372 1.00 0.00 C ATOM 496 OXT ILE G 7 -1.782 11.417 -5.107 1.00 0.00 O ATOM 0 H ILE G 7 -2.369 7.974 -6.292 1.00 0.00 H new ATOM 0 HA ILE G 7 -3.552 9.542 -4.130 1.00 0.00 H new ATOM 0 HB ILE G 7 -1.319 9.946 -3.102 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.386 7.594 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.017 9.266 -5.181 1.00 0.00 H new ATOM 0 HG21 ILE G 7 -1.149 7.758 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -2.848 8.248 -2.142 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -2.147 7.011 -3.212 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.830 8.228 -3.886 1.00 0.00 H new ATOM 0 HD12 ILE G 7 1.070 9.537 -2.949 1.00 0.00 H new ATOM 0 HD13 ILE G 7 0.696 7.838 -2.572 1.00 0.00 H new TER 508 ILE G 7 ATOM 509 N ILE I 1 0.944 -11.659 -8.458 1.00 0.00 N ATOM 510 CA ILE I 1 0.938 -10.386 -7.687 1.00 0.00 C ATOM 511 C ILE I 1 0.811 -9.207 -8.641 1.00 0.00 C ATOM 512 O ILE I 1 1.599 -9.071 -9.587 1.00 0.00 O ATOM 513 CB ILE I 1 2.233 -10.289 -6.858 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.017 -9.373 -5.650 1.00 0.00 C ATOM 515 CG2 ILE I 1 3.392 -9.780 -7.711 1.00 0.00 C ATOM 516 CD1 ILE I 1 1.655 -7.943 -6.065 1.00 0.00 C ATOM 0 H1 ILE I 1 1.031 -12.462 -7.802 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.057 -11.744 -8.994 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.748 -11.662 -9.117 1.00 0.00 H new ATOM 0 HA ILE I 1 0.086 -10.366 -7.008 1.00 0.00 H new ATOM 0 HB ILE I 1 2.489 -11.288 -6.504 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.222 -9.780 -5.025 1.00 0.00 H new ATOM 0 HG13 ILE I 1 2.922 -9.355 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE I 1 4.294 -9.721 -7.102 1.00 0.00 H new ATOM 0 HG22 ILE I 1 3.560 -10.465 -8.542 1.00 0.00 H new ATOM 0 HG23 ILE I 1 3.151 -8.790 -8.099 1.00 0.00 H new ATOM 0 HD11 ILE I 1 1.512 -7.331 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE I 1 2.461 -7.524 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE I 1 0.735 -7.956 -6.649 1.00 0.00 H new ATOM 530 N HIS I 2 -0.170 -8.338 -8.381 1.00 0.00 N ATOM 531 CA HIS I 2 -0.352 -7.171 -9.217 1.00 0.00 C ATOM 532 C HIS I 2 -0.063 -5.915 -8.407 1.00 0.00 C ATOM 533 O HIS I 2 -0.726 -5.670 -7.398 1.00 0.00 O ATOM 534 CB HIS I 2 -1.826 -7.175 -9.670 1.00 0.00 C ATOM 535 CG HIS I 2 -2.206 -5.863 -10.293 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.494 -5.317 -10.188 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.493 -4.995 -11.061 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.503 -4.175 -10.883 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.318 -3.923 -11.438 1.00 0.00 N ATOM 0 H HIS I 2 -0.834 -8.426 -7.611 1.00 0.00 H new ATOM 0 HA HIS I 2 0.321 -7.188 -10.074 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -1.987 -7.981 -10.386 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.472 -7.375 -8.815 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.456 -5.112 -11.337 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.366 -3.534 -10.983 1.00 0.00 H new ATOM 546 N VAL I 3 0.883 -5.090 -8.872 1.00 0.00 N ATOM 547 CA VAL I 3 1.179 -3.828 -8.187 1.00 0.00 C ATOM 548 C VAL I 3 0.891 -2.671 -9.118 1.00 0.00 C ATOM 549 O VAL I 3 1.512 -2.580 -10.179 1.00 0.00 O ATOM 550 CB VAL I 3 2.656 -3.764 -7.779 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.919 -2.437 -7.060 1.00 0.00 C ATOM 552 CG2 VAL I 3 3.008 -4.942 -6.853 1.00 0.00 C ATOM 0 H VAL I 3 1.446 -5.269 -9.703 1.00 0.00 H new ATOM 0 HA VAL I 3 0.555 -3.769 -7.295 1.00 0.00 H new ATOM 0 HB VAL I 3 3.279 -3.829 -8.671 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.967 -2.384 -6.767 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.687 -1.608 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.290 -2.373 -6.172 1.00 0.00 H new ATOM 0 HG21 VAL I 3 4.060 -4.882 -6.572 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.390 -4.897 -5.956 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.824 -5.882 -7.374 1.00 0.00 H new ATOM 562 N HIS I 4 -0.002 -1.758 -8.726 1.00 0.00 N ATOM 563 CA HIS I 4 -0.280 -0.602 -9.546 1.00 0.00 C ATOM 564 C HIS I 4 0.058 0.686 -8.814 1.00 0.00 C ATOM 565 O HIS I 4 -0.360 0.887 -7.672 1.00 0.00 O ATOM 566 CB HIS I 4 -1.751 -0.638 -9.996 1.00 0.00 C ATOM 567 CG HIS I 4 -1.912 0.156 -11.265 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.284 -0.401 -12.502 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.755 1.482 -11.487 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.336 0.602 -13.391 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.027 1.773 -12.827 1.00 0.00 N ATOM 0 H HIS I 4 -0.532 -1.805 -7.856 1.00 0.00 H new ATOM 0 HA HIS I 4 0.354 -0.630 -10.432 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.067 -1.669 -10.158 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.391 -0.227 -9.215 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.463 2.206 -10.741 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.595 0.478 -14.432 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -1.996 2.687 -13.279 1.00 0.00 H new ATOM 579 N LEU I 5 0.813 1.564 -9.484 1.00 0.00 N ATOM 580 CA LEU I 5 1.202 2.842 -8.889 1.00 0.00 C ATOM 581 C LEU I 5 0.651 4.002 -9.703 1.00 0.00 C ATOM 582 O LEU I 5 1.059 4.209 -10.845 1.00 0.00 O ATOM 583 CB LEU I 5 2.726 2.956 -8.861 1.00 0.00 C ATOM 584 CG LEU I 5 3.336 1.712 -8.210 1.00 0.00 C ATOM 585 CD1 LEU I 5 4.870 1.844 -8.185 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.786 1.550 -6.784 1.00 0.00 C ATOM 0 H LEU I 5 1.163 1.413 -10.430 1.00 0.00 H new ATOM 0 HA LEU I 5 0.798 2.882 -7.877 1.00 0.00 H new ATOM 0 HB2 LEU I 5 3.108 3.069 -9.875 1.00 0.00 H new ATOM 0 HB3 LEU I 5 3.021 3.847 -8.307 1.00 0.00 H new ATOM 0 HG LEU I 5 3.069 0.828 -8.789 1.00 0.00 H new ATOM 0 HD11 LEU I 5 5.304 0.958 -7.721 1.00 0.00 H new ATOM 0 HD12 LEU I 5 5.244 1.940 -9.204 1.00 0.00 H new ATOM 0 HD13 LEU I 5 5.150 2.728 -7.611 1.00 0.00 H new ATOM 0 HD21 LEU I 5 3.223 0.663 -6.324 1.00 0.00 H new ATOM 0 HD22 LEU I 5 3.043 2.429 -6.193 1.00 0.00 H new ATOM 0 HD23 LEU I 5 1.702 1.442 -6.822 1.00 0.00 H new ATOM 598 N GLN I 6 -0.255 4.775 -9.103 1.00 0.00 N ATOM 599 CA GLN I 6 -0.829 5.940 -9.780 1.00 0.00 C ATOM 600 C GLN I 6 -0.638 7.167 -8.898 1.00 0.00 C ATOM 601 O GLN I 6 -1.282 7.306 -7.855 1.00 0.00 O ATOM 602 CB GLN I 6 -2.316 5.701 -10.077 1.00 0.00 C ATOM 603 CG GLN I 6 -2.888 6.889 -10.862 1.00 0.00 C ATOM 604 CD GLN I 6 -4.388 6.700 -11.103 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.177 6.615 -10.160 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.829 6.618 -12.330 1.00 0.00 N ATOM 0 H GLN I 6 -0.605 4.618 -8.158 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.323 6.103 -10.731 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.438 4.782 -10.650 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.866 5.571 -9.145 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.716 7.813 -10.311 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.370 6.986 -11.816 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -4.178 6.688 -13.112 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.825 6.484 -12.506 1.00 0.00 H new ATOM 615 N ILE I 7 0.274 8.052 -9.317 1.00 0.00 N ATOM 616 CA ILE I 7 0.574 9.269 -8.552 1.00 0.00 C ATOM 617 C ILE I 7 0.336 10.507 -9.414 1.00 0.00 C ATOM 618 O ILE I 7 0.098 11.561 -8.848 1.00 0.00 O ATOM 619 CB ILE I 7 2.042 9.250 -8.074 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.428 7.824 -7.646 1.00 0.00 C ATOM 621 CG2 ILE I 7 2.225 10.216 -6.883 1.00 0.00 C ATOM 622 CD1 ILE I 7 3.888 7.799 -7.181 1.00 0.00 C ATOM 623 OXT ILE I 7 0.395 10.382 -10.626 1.00 0.00 O ATOM 0 H ILE I 7 0.814 7.950 -10.176 1.00 0.00 H new ATOM 0 HA ILE I 7 -0.086 9.303 -7.685 1.00 0.00 H new ATOM 0 HB ILE I 7 2.686 9.570 -8.893 1.00 0.00 H new ATOM 0 HG12 ILE I 7 1.775 7.487 -6.841 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.290 7.135 -8.479 1.00 0.00 H new ATOM 0 HG21 ILE I 7 3.264 10.195 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE I 7 1.963 11.228 -7.192 1.00 0.00 H new ATOM 0 HG23 ILE I 7 1.578 9.908 -6.062 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.156 6.787 -6.879 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.536 8.118 -7.998 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.012 8.475 -6.335 1.00 0.00 H new TER 635 ILE I 7 ATOM 636 N ILE K 1 4.334 -11.832 -12.321 1.00 0.00 N ATOM 637 CA ILE K 1 4.368 -10.561 -11.540 1.00 0.00 C ATOM 638 C ILE K 1 4.149 -9.390 -12.482 1.00 0.00 C ATOM 639 O ILE K 1 4.967 -9.154 -13.372 1.00 0.00 O ATOM 640 CB ILE K 1 5.740 -10.420 -10.852 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.928 -11.590 -9.875 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.823 -9.082 -10.105 1.00 0.00 C ATOM 643 CD1 ILE K 1 7.371 -11.617 -9.386 1.00 0.00 C ATOM 0 H1 ILE K 1 3.767 -12.539 -11.810 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.908 -11.655 -13.253 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.303 -12.189 -12.445 1.00 0.00 H new ATOM 0 HA ILE K 1 3.583 -10.573 -10.783 1.00 0.00 H new ATOM 0 HB ILE K 1 6.531 -10.441 -11.602 1.00 0.00 H new ATOM 0 HG12 ILE K 1 5.248 -11.484 -9.029 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.682 -12.531 -10.366 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.797 -8.994 -9.623 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.692 -8.262 -10.811 1.00 0.00 H new ATOM 0 HG23 ILE K 1 5.039 -9.038 -9.349 1.00 0.00 H new ATOM 0 HD11 ILE K 1 7.505 -12.447 -8.693 1.00 0.00 H new ATOM 0 HD12 ILE K 1 8.041 -11.743 -10.236 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.601 -10.680 -8.879 1.00 0.00 H new ATOM 657 N HIS K 2 3.055 -8.640 -12.286 1.00 0.00 N ATOM 658 CA HIS K 2 2.794 -7.482 -13.150 1.00 0.00 C ATOM 659 C HIS K 2 3.020 -6.197 -12.360 1.00 0.00 C ATOM 660 O HIS K 2 2.384 -5.970 -11.330 1.00 0.00 O ATOM 661 CB HIS K 2 1.331 -7.518 -13.650 1.00 0.00 C ATOM 662 CG HIS K 2 1.206 -8.355 -14.901 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.837 -7.806 -16.125 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.372 -9.700 -15.131 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.794 -8.811 -17.021 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.111 -9.984 -16.467 1.00 0.00 N ATOM 0 H HIS K 2 2.357 -8.807 -11.561 1.00 0.00 H new ATOM 0 HA HIS K 2 3.470 -7.515 -14.004 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.687 -7.925 -12.871 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.987 -6.504 -13.851 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.662 -10.427 -14.386 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.535 -8.683 -18.062 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.153 -10.894 -16.926 1.00 0.00 H new ATOM 674 N VAL K 3 3.900 -5.339 -12.877 1.00 0.00 N ATOM 675 CA VAL K 3 4.176 -4.049 -12.246 1.00 0.00 C ATOM 676 C VAL K 3 3.740 -2.925 -13.181 1.00 0.00 C ATOM 677 O VAL K 3 4.196 -2.865 -14.323 1.00 0.00 O ATOM 678 CB VAL K 3 5.676 -3.934 -11.962 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.974 -2.584 -11.309 1.00 0.00 C ATOM 680 CG2 VAL K 3 6.112 -5.068 -11.024 1.00 0.00 C ATOM 0 H VAL K 3 4.433 -5.514 -13.729 1.00 0.00 H new ATOM 0 HA VAL K 3 3.625 -3.972 -11.309 1.00 0.00 H new ATOM 0 HB VAL K 3 6.227 -4.010 -12.900 1.00 0.00 H new ATOM 0 HG11 VAL K 3 7.042 -2.505 -11.108 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.671 -1.780 -11.980 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.422 -2.503 -10.373 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.180 -4.984 -10.823 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.560 -4.997 -10.087 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.906 -6.029 -11.495 1.00 0.00 H new ATOM 690 N HIS K 4 2.885 -2.020 -12.703 1.00 0.00 N ATOM 691 CA HIS K 4 2.440 -0.887 -13.530 1.00 0.00 C ATOM 692 C HIS K 4 2.857 0.429 -12.870 1.00 0.00 C ATOM 693 O HIS K 4 2.578 0.642 -11.688 1.00 0.00 O ATOM 694 CB HIS K 4 0.898 -0.935 -13.717 1.00 0.00 C ATOM 695 CG HIS K 4 0.443 -2.249 -14.363 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.735 -2.912 -13.983 1.00 0.00 N ATOM 697 CD2 HIS K 4 0.988 -3.032 -15.361 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.840 -4.022 -14.734 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.180 -4.146 -15.588 1.00 0.00 N ATOM 0 H HIS K 4 2.489 -2.043 -11.763 1.00 0.00 H new ATOM 0 HA HIS K 4 2.909 -0.954 -14.512 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.411 -0.818 -12.749 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.581 -0.096 -14.337 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.905 -2.814 -15.888 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.652 -4.729 -14.656 1.00 0.00 H new ATOM 706 N LEU K 5 3.504 1.325 -13.632 1.00 0.00 N ATOM 707 CA LEU K 5 3.932 2.630 -13.091 1.00 0.00 C ATOM 708 C LEU K 5 3.319 3.765 -13.899 1.00 0.00 C ATOM 709 O LEU K 5 3.542 3.872 -15.105 1.00 0.00 O ATOM 710 CB LEU K 5 5.465 2.741 -13.118 1.00 0.00 C ATOM 711 CG LEU K 5 5.918 4.146 -12.673 1.00 0.00 C ATOM 712 CD1 LEU K 5 5.428 4.436 -11.251 1.00 0.00 C ATOM 713 CD2 LEU K 5 7.447 4.207 -12.695 1.00 0.00 C ATOM 0 H LEU K 5 3.741 1.175 -14.613 1.00 0.00 H new ATOM 0 HA LEU K 5 3.589 2.705 -12.059 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.901 1.988 -12.461 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.832 2.537 -14.124 1.00 0.00 H new ATOM 0 HG LEU K 5 5.499 4.888 -13.353 1.00 0.00 H new ATOM 0 HD11 LEU K 5 5.755 5.431 -10.949 1.00 0.00 H new ATOM 0 HD12 LEU K 5 4.339 4.388 -11.224 1.00 0.00 H new ATOM 0 HD13 LEU K 5 5.841 3.695 -10.566 1.00 0.00 H new ATOM 0 HD21 LEU K 5 7.776 5.198 -12.382 1.00 0.00 H new ATOM 0 HD22 LEU K 5 7.851 3.458 -12.014 1.00 0.00 H new ATOM 0 HD23 LEU K 5 7.805 4.009 -13.705 1.00 0.00 H new ATOM 725 N GLN K 6 2.569 4.628 -13.221 1.00 0.00 N ATOM 726 CA GLN K 6 1.950 5.778 -13.877 1.00 0.00 C ATOM 727 C GLN K 6 2.152 7.013 -13.013 1.00 0.00 C ATOM 728 O GLN K 6 1.591 7.125 -11.918 1.00 0.00 O ATOM 729 CB GLN K 6 0.457 5.514 -14.107 1.00 0.00 C ATOM 730 CG GLN K 6 -0.164 6.684 -14.882 1.00 0.00 C ATOM 731 CD GLN K 6 -1.669 6.475 -15.041 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.396 6.378 -14.055 1.00 0.00 O ATOM 733 NE2 GLN K 6 -2.180 6.397 -16.240 1.00 0.00 N ATOM 0 H GLN K 6 2.375 4.555 -12.222 1.00 0.00 H new ATOM 0 HA GLN K 6 2.417 5.942 -14.848 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.324 4.586 -14.663 1.00 0.00 H new ATOM 0 HB3 GLN K 6 -0.051 5.389 -13.151 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.027 7.619 -14.356 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.304 6.769 -15.863 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.576 6.478 -17.058 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -3.183 6.256 -16.359 1.00 0.00 H new ATOM 742 N ILE K 7 2.972 7.932 -13.514 1.00 0.00 N ATOM 743 CA ILE K 7 3.276 9.161 -12.793 1.00 0.00 C ATOM 744 C ILE K 7 3.539 10.303 -13.772 1.00 0.00 C ATOM 745 O ILE K 7 3.233 10.137 -14.941 1.00 0.00 O ATOM 746 CB ILE K 7 4.503 8.947 -11.892 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.718 8.528 -12.733 1.00 0.00 C ATOM 748 CG2 ILE K 7 4.200 7.859 -10.862 1.00 0.00 C ATOM 749 CD1 ILE K 7 6.967 8.512 -11.848 1.00 0.00 C ATOM 750 OXT ILE K 7 4.042 11.326 -13.337 1.00 0.00 O ATOM 0 H ILE K 7 3.438 7.848 -14.418 1.00 0.00 H new ATOM 0 HA ILE K 7 2.419 9.425 -12.174 1.00 0.00 H new ATOM 0 HB ILE K 7 4.730 9.883 -11.383 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.552 7.541 -13.165 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.856 9.221 -13.563 1.00 0.00 H new ATOM 0 HG21 ILE K 7 5.071 7.709 -10.224 1.00 0.00 H new ATOM 0 HG22 ILE K 7 3.351 8.163 -10.250 1.00 0.00 H new ATOM 0 HG23 ILE K 7 3.962 6.928 -11.376 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.831 8.215 -12.443 1.00 0.00 H new ATOM 0 HD12 ILE K 7 7.135 9.508 -11.437 1.00 0.00 H new ATOM 0 HD13 ILE K 7 6.826 7.802 -11.033 1.00 0.00 H new TER 762 ILE K 7 ATOM 763 N ILE O 1 -3.946 11.332 13.399 1.00 0.00 N ATOM 764 CA ILE O 1 -4.677 10.050 13.609 1.00 0.00 C ATOM 765 C ILE O 1 -3.760 8.872 13.260 1.00 0.00 C ATOM 766 O ILE O 1 -3.199 8.796 12.160 1.00 0.00 O ATOM 767 CB ILE O 1 -5.957 10.048 12.731 1.00 0.00 C ATOM 768 CG1 ILE O 1 -7.061 9.206 13.388 1.00 0.00 C ATOM 769 CG2 ILE O 1 -5.648 9.508 11.338 1.00 0.00 C ATOM 770 CD1 ILE O 1 -6.549 7.793 13.688 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.569 12.130 13.636 1.00 0.00 H new ATOM 0 H2 ILE O 1 -3.105 11.356 14.010 1.00 0.00 H new ATOM 0 H3 ILE O 1 -3.653 11.406 12.404 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.972 9.949 14.653 1.00 0.00 H new ATOM 0 HB ILE O 1 -6.309 11.076 12.639 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.391 9.684 14.311 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -7.928 9.153 12.729 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -6.557 9.514 10.736 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -4.894 10.136 10.863 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -5.272 8.488 11.418 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -7.343 7.209 14.153 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -6.242 7.312 12.759 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -5.697 7.851 14.365 1.00 0.00 H new ATOM 784 N HIS O 2 -3.620 7.939 14.196 1.00 0.00 N ATOM 785 CA HIS O 2 -2.812 6.776 13.964 1.00 0.00 C ATOM 786 C HIS O 2 -3.717 5.553 13.952 1.00 0.00 C ATOM 787 O HIS O 2 -4.390 5.277 14.945 1.00 0.00 O ATOM 788 CB HIS O 2 -1.825 6.710 15.145 1.00 0.00 C ATOM 789 CG HIS O 2 -1.173 5.367 15.249 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.762 4.830 16.474 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.809 4.464 14.299 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.175 3.656 16.220 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.170 3.377 14.917 1.00 0.00 N ATOM 0 H HIS O 2 -4.059 7.977 15.116 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.278 6.813 13.014 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.060 7.477 15.023 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.353 6.931 16.073 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -0.887 5.256 17.392 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.984 4.567 13.238 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.244 3.012 16.979 1.00 0.00 H new ATOM 800 N VAL O 3 -3.710 4.796 12.851 1.00 0.00 N ATOM 801 CA VAL O 3 -4.518 3.574 12.778 1.00 0.00 C ATOM 802 C VAL O 3 -3.605 2.380 12.590 1.00 0.00 C ATOM 803 O VAL O 3 -2.866 2.320 11.605 1.00 0.00 O ATOM 804 CB VAL O 3 -5.499 3.646 11.604 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.350 2.376 11.598 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.405 4.882 11.739 1.00 0.00 C ATOM 0 H VAL O 3 -3.166 5.001 12.013 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.083 3.473 13.704 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.944 3.728 10.669 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -7.054 2.414 10.767 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.704 1.505 11.487 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.900 2.302 12.536 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -7.097 4.920 10.897 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.969 4.820 12.670 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.792 5.783 11.746 1.00 0.00 H new ATOM 816 N HIS O 4 -3.665 1.411 13.506 1.00 0.00 N ATOM 817 CA HIS O 4 -2.859 0.218 13.395 1.00 0.00 C ATOM 818 C HIS O 4 -3.730 -1.028 13.289 1.00 0.00 C ATOM 819 O HIS O 4 -4.653 -1.217 14.081 1.00 0.00 O ATOM 820 CB HIS O 4 -1.905 0.148 14.603 1.00 0.00 C ATOM 821 CG HIS O 4 -0.683 -0.656 14.244 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.620 -0.130 14.226 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.566 -1.956 13.890 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.445 -1.127 13.870 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.777 -2.265 13.656 1.00 0.00 N ATOM 0 H HIS O 4 -4.267 1.440 14.329 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.268 0.261 12.480 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.613 1.154 14.906 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.413 -0.307 15.453 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.387 -2.651 13.801 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.515 -1.023 13.769 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.165 -3.167 13.380 1.00 0.00 H new ATOM 833 N LEU O 5 -3.425 -1.885 12.313 1.00 0.00 N ATOM 834 CA LEU O 5 -4.183 -3.123 12.117 1.00 0.00 C ATOM 835 C LEU O 5 -3.257 -4.318 12.267 1.00 0.00 C ATOM 836 O LEU O 5 -2.348 -4.508 11.459 1.00 0.00 O ATOM 837 CB LEU O 5 -4.779 -3.136 10.712 1.00 0.00 C ATOM 838 CG LEU O 5 -5.592 -1.860 10.481 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.169 -1.877 9.056 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.725 -1.764 11.517 1.00 0.00 C ATOM 0 H LEU O 5 -2.663 -1.746 11.649 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.979 -3.177 12.860 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -3.984 -3.210 9.970 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -5.416 -4.012 10.585 1.00 0.00 H new ATOM 0 HG LEU O 5 -4.946 -0.990 10.595 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -6.749 -0.970 8.887 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.354 -1.926 8.334 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -6.814 -2.747 8.935 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -7.299 -0.853 11.346 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -7.381 -2.629 11.420 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.300 -1.741 12.520 1.00 0.00 H new ATOM 852 N GLN O 6 -3.503 -5.135 13.288 1.00 0.00 N ATOM 853 CA GLN O 6 -2.694 -6.332 13.516 1.00 0.00 C ATOM 854 C GLN O 6 -3.624 -7.534 13.597 1.00 0.00 C ATOM 855 O GLN O 6 -4.365 -7.690 14.568 1.00 0.00 O ATOM 856 CB GLN O 6 -1.894 -6.195 14.815 1.00 0.00 C ATOM 857 CG GLN O 6 -0.917 -7.367 14.939 1.00 0.00 C ATOM 858 CD GLN O 6 -0.181 -7.299 16.274 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.808 -7.163 17.324 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.123 -7.371 16.294 1.00 0.00 N ATOM 0 H GLN O 6 -4.251 -4.993 13.967 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.988 -6.462 12.696 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.349 -5.251 14.821 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.569 -6.179 15.670 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.457 -8.310 14.861 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.200 -7.341 14.118 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.641 -7.484 15.423 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.623 -7.315 17.181 1.00 0.00 H new ATOM 869 N ILE O 7 -3.601 -8.373 12.559 1.00 0.00 N ATOM 870 CA ILE O 7 -4.471 -9.557 12.514 1.00 0.00 C ATOM 871 C ILE O 7 -3.640 -10.814 12.266 1.00 0.00 C ATOM 872 O ILE O 7 -4.141 -11.893 12.532 1.00 0.00 O ATOM 873 CB ILE O 7 -5.532 -9.403 11.398 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.964 -7.935 11.286 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.766 -10.273 11.718 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.999 -7.798 10.168 1.00 0.00 C ATOM 877 OXT ILE O 7 -2.513 -10.677 11.817 1.00 0.00 O ATOM 0 H ILE O 7 -2.997 -8.259 11.745 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.978 -9.649 13.474 1.00 0.00 H new ATOM 0 HB ILE O 7 -5.095 -9.727 10.453 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -6.386 -7.595 12.232 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -5.100 -7.304 11.077 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -7.507 -10.158 10.927 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.466 -11.319 11.785 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -7.197 -9.957 12.668 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -7.309 -6.756 10.085 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -6.560 -8.123 9.224 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.866 -8.417 10.397 1.00 0.00 H new TER 889 ILE O 7 ATOM 890 N ILE Q 1 -1.485 11.608 8.956 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.229 10.333 9.158 1.00 0.00 C ATOM 892 C ILE Q 1 -1.268 9.160 8.924 1.00 0.00 C ATOM 893 O ILE Q 1 -0.674 9.034 7.844 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.404 10.266 8.154 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.378 11.431 8.405 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -4.135 8.915 8.272 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.366 11.517 7.241 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.927 12.361 9.521 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.497 11.485 9.256 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.511 11.870 7.950 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.625 10.281 10.172 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.008 10.353 7.142 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.913 11.278 9.342 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.828 12.367 8.501 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.959 8.884 7.559 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.438 8.104 8.057 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.525 8.800 9.283 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -6.059 12.340 7.412 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.821 11.689 6.313 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.923 10.583 7.167 1.00 0.00 H new ATOM 911 N HIS Q 2 -1.098 8.298 9.937 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.208 7.134 9.778 1.00 0.00 C ATOM 913 C HIS Q 2 -1.038 5.853 9.786 1.00 0.00 C ATOM 914 O HIS Q 2 -1.743 5.579 10.757 1.00 0.00 O ATOM 915 CB HIS Q 2 0.818 7.089 10.937 1.00 0.00 C ATOM 916 CG HIS Q 2 2.033 7.930 10.611 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.302 7.379 10.456 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.191 9.283 10.427 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.150 8.389 10.191 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.526 9.568 10.163 1.00 0.00 N ATOM 0 H HIS Q 2 -1.548 8.377 10.849 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.325 7.220 8.831 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.354 7.452 11.854 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.122 6.058 11.120 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.398 10.014 10.480 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.209 8.261 10.021 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 3.940 10.483 9.986 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.912 5.042 8.729 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.622 3.760 8.669 1.00 0.00 C ATOM 930 C VAL Q 3 -0.620 2.611 8.645 1.00 0.00 C ATOM 931 O VAL Q 3 0.253 2.559 7.770 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.507 3.713 7.423 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.230 2.365 7.366 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.537 4.852 7.485 1.00 0.00 C ATOM 0 H VAL Q 3 -0.333 5.247 7.914 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.252 3.660 9.553 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.892 3.832 6.531 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.862 2.328 6.479 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.496 1.560 7.322 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.847 2.245 8.256 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.169 4.820 6.597 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -4.155 4.735 8.375 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -3.018 5.810 7.527 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.756 1.676 9.583 1.00 0.00 N ATOM 945 CA HIS Q 4 0.140 0.514 9.635 1.00 0.00 C ATOM 946 C HIS Q 4 -0.672 -0.773 9.468 1.00 0.00 C ATOM 947 O HIS Q 4 -1.656 -0.973 10.180 1.00 0.00 O ATOM 948 CB HIS Q 4 0.901 0.498 10.991 1.00 0.00 C ATOM 949 CG HIS Q 4 1.675 1.802 11.230 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.737 2.420 12.488 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.422 2.615 10.395 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.482 3.534 12.362 1.00 0.00 C ATOM 953 NE2 HIS Q 4 2.922 3.703 11.112 1.00 0.00 N ATOM 0 H HIS Q 4 -1.469 1.696 10.312 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.866 0.580 8.824 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.191 0.343 11.804 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.594 -0.343 11.008 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.593 2.434 9.344 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.698 4.211 13.175 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.255 -1.658 8.548 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.960 -2.936 8.335 1.00 0.00 C ATOM 962 C LEU Q 5 -0.013 -4.109 8.544 1.00 0.00 C ATOM 963 O LEU Q 5 1.008 -4.222 7.865 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.558 -2.998 6.918 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.128 -4.403 6.624 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -3.248 -4.742 7.613 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -2.686 -4.431 5.198 1.00 0.00 C ATOM 0 H LEU Q 5 0.556 -1.517 7.946 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.770 -2.999 9.062 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -2.347 -2.252 6.818 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -0.791 -2.751 6.184 1.00 0.00 H new ATOM 0 HG LEU Q 5 -1.331 -5.139 6.729 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.640 -5.735 7.393 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -2.854 -4.724 8.629 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -4.049 -4.008 7.522 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -3.090 -5.421 4.985 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -3.478 -3.688 5.102 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -1.888 -4.205 4.491 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.384 -5.000 9.460 1.00 0.00 N ATOM 980 CA GLN Q 6 0.414 -6.191 9.734 1.00 0.00 C ATOM 981 C GLN Q 6 -0.502 -7.406 9.820 1.00 0.00 C ATOM 982 O GLN Q 6 -1.323 -7.518 10.731 1.00 0.00 O ATOM 983 CB GLN Q 6 1.194 -6.012 11.039 1.00 0.00 C ATOM 984 CG GLN Q 6 2.085 -7.232 11.281 1.00 0.00 C ATOM 985 CD GLN Q 6 2.808 -7.100 12.616 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.173 -7.036 13.668 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.113 -7.042 12.630 1.00 0.00 N ATOM 0 H GLN Q 6 -1.230 -4.920 10.024 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.129 -6.343 8.926 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.803 -5.109 10.989 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.503 -5.884 11.872 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.481 -8.139 11.275 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.811 -7.327 10.474 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.635 -7.095 11.755 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.610 -6.943 13.515 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.356 -8.311 8.856 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.178 -9.518 8.815 1.00 0.00 C ATOM 998 C ILE Q 7 -0.429 -10.649 8.114 1.00 0.00 C ATOM 999 O ILE Q 7 0.774 -10.524 7.949 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.503 -9.229 8.089 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.217 -8.704 6.681 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.300 -8.186 8.868 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.524 -8.627 5.890 1.00 0.00 C ATOM 1004 OXT ILE Q 7 -1.069 -11.625 7.756 1.00 0.00 O ATOM 0 H ILE Q 7 0.320 -8.233 8.096 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.395 -9.828 9.837 1.00 0.00 H new ATOM 0 HB ILE Q 7 -3.081 -10.151 8.021 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.754 -7.719 6.736 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -1.510 -9.360 6.173 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -4.238 -7.984 8.351 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.511 -8.563 9.869 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -2.721 -7.266 8.942 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -3.321 -8.253 4.887 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -3.968 -9.620 5.824 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -4.216 -7.953 6.395 1.00 0.00 H new TER 1016 ILE Q 7 ATOM 1017 N ILE S 1 1.654 11.603 5.096 1.00 0.00 N ATOM 1018 CA ILE S 1 0.916 10.321 5.271 1.00 0.00 C ATOM 1019 C ILE S 1 1.868 9.147 5.070 1.00 0.00 C ATOM 1020 O ILE S 1 2.547 9.049 4.037 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.251 10.267 4.265 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.363 9.359 4.788 1.00 0.00 C ATOM 1023 CG2 ILE S 1 0.227 9.774 2.905 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -0.871 7.924 5.016 1.00 0.00 C ATOM 0 H1 ILE S 1 1.001 12.401 5.234 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.422 11.659 5.795 1.00 0.00 H new ATOM 0 H3 ILE S 1 2.054 11.645 4.137 1.00 0.00 H new ATOM 0 HA ILE S 1 0.510 10.259 6.281 1.00 0.00 H new ATOM 0 HB ILE S 1 -0.643 11.277 4.148 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.751 9.762 5.723 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -2.189 9.351 4.077 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -0.614 9.745 2.212 1.00 0.00 H new ATOM 0 HG22 ILE S 1 0.990 10.451 2.520 1.00 0.00 H new ATOM 0 HG23 ILE S 1 0.648 8.774 3.008 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -1.693 7.312 5.388 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -0.507 7.510 4.075 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -0.063 7.928 5.747 1.00 0.00 H new ATOM 1038 N HIS S 2 1.906 8.243 6.048 1.00 0.00 N ATOM 1039 CA HIS S 2 2.760 7.081 5.933 1.00 0.00 C ATOM 1040 C HIS S 2 1.897 5.831 5.847 1.00 0.00 C ATOM 1041 O HIS S 2 1.124 5.555 6.765 1.00 0.00 O ATOM 1042 CB HIS S 2 3.622 7.039 7.210 1.00 0.00 C ATOM 1043 CG HIS S 2 4.310 5.713 7.357 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.573 5.125 8.604 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.837 4.870 6.429 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.234 3.987 8.378 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.426 3.774 7.078 1.00 0.00 N ATOM 0 H HIS S 2 1.363 8.297 6.910 1.00 0.00 H new ATOM 0 HA HIS S 2 3.386 7.129 5.042 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.365 7.836 7.177 1.00 0.00 H new ATOM 0 HB3 HIS S 2 2.995 7.225 8.082 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.807 5.020 5.360 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.572 3.319 9.157 1.00 0.00 H new ATOM 1054 N VAL S 3 2.060 5.046 4.776 1.00 0.00 N ATOM 1055 CA VAL S 3 1.309 3.793 4.645 1.00 0.00 C ATOM 1056 C VAL S 3 2.273 2.627 4.598 1.00 0.00 C ATOM 1057 O VAL S 3 3.108 2.564 3.694 1.00 0.00 O ATOM 1058 CB VAL S 3 0.479 3.795 3.357 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.310 2.487 3.273 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.487 4.992 3.346 1.00 0.00 C ATOM 0 H VAL S 3 2.692 5.250 4.002 1.00 0.00 H new ATOM 0 HA VAL S 3 0.643 3.699 5.503 1.00 0.00 H new ATOM 0 HB VAL S 3 1.144 3.881 2.497 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.904 2.479 2.359 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.382 1.645 3.264 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.970 2.404 4.136 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.070 4.981 2.425 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.159 4.925 4.202 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.082 5.920 3.403 1.00 0.00 H new ATOM 1070 N HIS S 4 2.147 1.680 5.531 1.00 0.00 N ATOM 1071 CA HIS S 4 2.998 0.514 5.520 1.00 0.00 C ATOM 1072 C HIS S 4 2.183 -0.758 5.366 1.00 0.00 C ATOM 1073 O HIS S 4 1.206 -0.969 6.090 1.00 0.00 O ATOM 1074 CB HIS S 4 3.849 0.500 6.803 1.00 0.00 C ATOM 1075 CG HIS S 4 5.112 -0.284 6.563 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.403 0.274 6.592 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.282 -1.600 6.298 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.271 -0.719 6.353 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.644 -1.885 6.168 1.00 0.00 N ATOM 0 H HIS S 4 1.468 1.707 6.291 1.00 0.00 H new ATOM 0 HA HIS S 4 3.665 0.559 4.659 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.093 1.520 7.101 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.283 0.056 7.622 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.485 -2.322 6.201 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.343 -0.593 6.315 1.00 0.00 H new ATOM 0 HE2 HIS S 4 7.070 -2.791 5.973 1.00 0.00 H new ATOM 1087 N LEU S 5 2.595 -1.615 4.427 1.00 0.00 N ATOM 1088 CA LEU S 5 1.897 -2.876 4.190 1.00 0.00 C ATOM 1089 C LEU S 5 2.828 -4.051 4.441 1.00 0.00 C ATOM 1090 O LEU S 5 3.812 -4.229 3.724 1.00 0.00 O ATOM 1091 CB LEU S 5 1.421 -2.939 2.738 1.00 0.00 C ATOM 1092 CG LEU S 5 0.621 -1.681 2.394 1.00 0.00 C ATOM 1093 CD1 LEU S 5 0.156 -1.756 0.927 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.584 -1.559 3.341 1.00 0.00 C ATOM 0 H LEU S 5 3.403 -1.458 3.824 1.00 0.00 H new ATOM 0 HA LEU S 5 1.046 -2.930 4.869 1.00 0.00 H new ATOM 0 HB2 LEU S 5 2.277 -3.029 2.070 1.00 0.00 H new ATOM 0 HB3 LEU S 5 0.804 -3.825 2.587 1.00 0.00 H new ATOM 0 HG LEU S 5 1.248 -0.798 2.518 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.414 -0.861 0.680 1.00 0.00 H new ATOM 0 HD12 LEU S 5 1.025 -1.825 0.273 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.472 -2.636 0.789 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -1.152 -0.662 3.094 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -1.223 -2.435 3.231 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -0.232 -1.493 4.371 1.00 0.00 H new ATOM 1106 N GLN S 6 2.502 -4.867 5.442 1.00 0.00 N ATOM 1107 CA GLN S 6 3.311 -6.045 5.754 1.00 0.00 C ATOM 1108 C GLN S 6 2.405 -7.270 5.795 1.00 0.00 C ATOM 1109 O GLN S 6 1.595 -7.432 6.713 1.00 0.00 O ATOM 1110 CB GLN S 6 4.023 -5.852 7.099 1.00 0.00 C ATOM 1111 CG GLN S 6 4.969 -7.031 7.354 1.00 0.00 C ATOM 1112 CD GLN S 6 5.629 -6.903 8.726 1.00 0.00 C ATOM 1113 OE1 GLN S 6 4.945 -6.846 9.749 1.00 0.00 O ATOM 1114 NE2 GLN S 6 6.932 -6.857 8.808 1.00 0.00 N ATOM 0 H GLN S 6 1.691 -4.737 6.046 1.00 0.00 H new ATOM 0 HA GLN S 6 4.071 -6.187 4.986 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.584 -4.917 7.094 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.290 -5.780 7.903 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.415 -7.968 7.297 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.734 -7.065 6.578 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.498 -6.904 7.961 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.383 -6.774 9.719 1.00 0.00 H new ATOM 1123 N ILE S 7 2.532 -8.127 4.775 1.00 0.00 N ATOM 1124 CA ILE S 7 1.706 -9.339 4.679 1.00 0.00 C ATOM 1125 C ILE S 7 2.594 -10.577 4.585 1.00 0.00 C ATOM 1126 O ILE S 7 2.108 -11.654 4.890 1.00 0.00 O ATOM 1127 CB ILE S 7 0.791 -9.264 3.435 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.297 -7.817 3.246 1.00 0.00 C ATOM 1129 CG2 ILE S 7 -0.421 -10.211 3.596 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.604 -7.735 2.010 1.00 0.00 C ATOM 1131 OXT ILE S 7 3.747 -10.429 4.213 1.00 0.00 O ATOM 0 H ILE S 7 3.194 -8.006 4.008 1.00 0.00 H new ATOM 0 HA ILE S 7 1.089 -9.408 5.575 1.00 0.00 H new ATOM 0 HB ILE S 7 1.362 -9.574 2.560 1.00 0.00 H new ATOM 0 HG12 ILE S 7 -0.252 -7.492 4.130 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.147 -7.144 3.133 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -1.054 -10.145 2.711 1.00 0.00 H new ATOM 0 HG22 ILE S 7 -0.069 -11.236 3.715 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.995 -9.920 4.476 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.951 -6.710 1.880 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -0.041 -8.042 1.128 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -1.462 -8.395 2.141 1.00 0.00 H new TER 1143 ILE S 7 ATOM 1144 N ILE U 1 4.240 11.873 0.631 1.00 0.00 N ATOM 1145 CA ILE U 1 3.503 10.595 0.837 1.00 0.00 C ATOM 1146 C ILE U 1 4.480 9.429 0.687 1.00 0.00 C ATOM 1147 O ILE U 1 5.108 9.263 -0.371 1.00 0.00 O ATOM 1148 CB ILE U 1 2.374 10.479 -0.213 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.368 11.627 -0.032 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.668 9.119 -0.096 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.439 11.675 -1.244 1.00 0.00 C ATOM 0 H1 ILE U 1 3.762 12.637 1.151 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.214 11.772 0.981 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.259 12.103 -0.383 1.00 0.00 H new ATOM 0 HA ILE U 1 3.063 10.573 1.834 1.00 0.00 H new ATOM 0 HB ILE U 1 2.812 10.551 -1.209 1.00 0.00 H new ATOM 0 HG12 ILE U 1 0.789 11.479 0.880 1.00 0.00 H new ATOM 0 HG13 ILE U 1 1.895 12.575 0.075 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.876 9.055 -0.842 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.389 8.319 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.237 9.017 0.900 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.277 12.488 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE U 1 1.027 11.842 -2.147 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.096 10.729 -1.330 1.00 0.00 H new ATOM 1165 N HIS U 2 4.620 8.612 1.743 1.00 0.00 N ATOM 1166 CA HIS U 2 5.528 7.457 1.670 1.00 0.00 C ATOM 1167 C HIS U 2 4.720 6.163 1.670 1.00 0.00 C ATOM 1168 O HIS U 2 3.964 5.900 2.607 1.00 0.00 O ATOM 1169 CB HIS U 2 6.486 7.458 2.887 1.00 0.00 C ATOM 1170 CG HIS U 2 7.704 8.315 2.617 1.00 0.00 C ATOM 1171 ND1 HIS U 2 8.987 7.782 2.545 1.00 0.00 N ATOM 1172 CD2 HIS U 2 7.853 9.667 2.424 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.835 8.802 2.318 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.197 9.971 2.236 1.00 0.00 N ATOM 0 H HIS U 2 4.132 8.724 2.632 1.00 0.00 H new ATOM 0 HA HIS U 2 6.110 7.526 0.751 1.00 0.00 H new ATOM 0 HB2 HIS U 2 5.962 7.831 3.767 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.797 6.438 3.110 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.047 10.386 2.419 1.00 0.00 H new ATOM 0 HE1 HIS U 2 10.904 8.688 2.215 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.607 10.890 2.071 1.00 0.00 H new ATOM 1182 N VAL U 3 4.921 5.334 0.642 1.00 0.00 N ATOM 1183 CA VAL U 3 4.244 4.038 0.563 1.00 0.00 C ATOM 1184 C VAL U 3 5.273 2.911 0.619 1.00 0.00 C ATOM 1185 O VAL U 3 6.193 2.864 -0.209 1.00 0.00 O ATOM 1186 CB VAL U 3 3.449 3.957 -0.740 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.750 2.599 -0.827 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.401 5.082 -0.768 1.00 0.00 C ATOM 0 H VAL U 3 5.542 5.535 -0.141 1.00 0.00 H new ATOM 0 HA VAL U 3 3.562 3.934 1.407 1.00 0.00 H new ATOM 0 HB VAL U 3 4.124 4.070 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.183 2.541 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.495 1.804 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.073 2.483 0.019 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.832 5.027 -1.696 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.724 4.970 0.079 1.00 0.00 H new ATOM 0 HG23 VAL U 3 2.902 6.048 -0.707 1.00 0.00 H new ATOM 1198 N HIS U 4 5.111 1.990 1.567 1.00 0.00 N ATOM 1199 CA HIS U 4 6.034 0.852 1.685 1.00 0.00 C ATOM 1200 C HIS U 4 5.267 -0.459 1.492 1.00 0.00 C ATOM 1201 O HIS U 4 4.252 -0.679 2.155 1.00 0.00 O ATOM 1202 CB HIS U 4 6.715 0.872 3.084 1.00 0.00 C ATOM 1203 CG HIS U 4 7.446 2.195 3.346 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.436 2.832 4.598 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.211 3.011 2.535 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.162 3.959 4.488 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.655 4.119 3.258 1.00 0.00 N ATOM 0 H HIS U 4 4.361 2.004 2.258 1.00 0.00 H new ATOM 0 HA HIS U 4 6.802 0.929 0.915 1.00 0.00 H new ATOM 0 HB2 HIS U 4 5.962 0.714 3.856 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.423 0.046 3.155 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.433 2.820 1.495 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.327 4.653 5.299 1.00 0.00 H new ATOM 1214 N LEU U 5 5.758 -1.342 0.605 1.00 0.00 N ATOM 1215 CA LEU U 5 5.097 -2.639 0.373 1.00 0.00 C ATOM 1216 C LEU U 5 6.055 -3.788 0.651 1.00 0.00 C ATOM 1217 O LEU U 5 7.104 -3.906 0.013 1.00 0.00 O ATOM 1218 CB LEU U 5 4.574 -2.729 -1.070 1.00 0.00 C ATOM 1219 CG LEU U 5 4.042 -4.146 -1.371 1.00 0.00 C ATOM 1220 CD1 LEU U 5 2.873 -4.478 -0.440 1.00 0.00 C ATOM 1221 CD2 LEU U 5 3.563 -4.209 -2.823 1.00 0.00 C ATOM 0 H LEU U 5 6.596 -1.186 0.045 1.00 0.00 H new ATOM 0 HA LEU U 5 4.252 -2.715 1.058 1.00 0.00 H new ATOM 0 HB2 LEU U 5 3.780 -1.998 -1.220 1.00 0.00 H new ATOM 0 HB3 LEU U 5 5.373 -2.480 -1.768 1.00 0.00 H new ATOM 0 HG LEU U 5 4.843 -4.868 -1.212 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.505 -5.480 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU U 5 3.209 -4.435 0.596 1.00 0.00 H new ATOM 0 HD13 LEU U 5 2.071 -3.756 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU U 5 3.187 -5.209 -3.039 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.767 -3.481 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU U 5 4.394 -3.982 -3.491 1.00 0.00 H new ATOM 1233 N GLN U 6 5.665 -4.658 1.582 1.00 0.00 N ATOM 1234 CA GLN U 6 6.472 -5.826 1.922 1.00 0.00 C ATOM 1235 C GLN U 6 5.585 -7.060 1.981 1.00 0.00 C ATOM 1236 O GLN U 6 4.725 -7.184 2.858 1.00 0.00 O ATOM 1237 CB GLN U 6 7.180 -5.605 3.263 1.00 0.00 C ATOM 1238 CG GLN U 6 8.070 -6.811 3.579 1.00 0.00 C ATOM 1239 CD GLN U 6 8.736 -6.640 4.939 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.060 -6.577 5.972 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.037 -6.544 4.992 1.00 0.00 N ATOM 0 H GLN U 6 4.798 -4.575 2.112 1.00 0.00 H new ATOM 0 HA GLN U 6 7.232 -5.976 1.155 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.782 -4.697 3.223 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.445 -5.465 4.055 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.473 -7.723 3.572 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.831 -6.922 2.806 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.588 -6.597 4.135 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.503 -6.416 5.890 1.00 0.00 H new ATOM 1250 N ILE U 7 5.803 -7.968 1.031 1.00 0.00 N ATOM 1251 CA ILE U 7 5.023 -9.197 0.953 1.00 0.00 C ATOM 1252 C ILE U 7 5.851 -10.323 0.337 1.00 0.00 C ATOM 1253 O ILE U 7 7.057 -10.160 0.244 1.00 0.00 O ATOM 1254 CB ILE U 7 3.757 -8.955 0.119 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.134 -8.488 -1.290 1.00 0.00 C ATOM 1256 CG2 ILE U 7 2.908 -7.881 0.791 1.00 0.00 C ATOM 1257 CD1 ILE U 7 2.880 -8.452 -2.169 1.00 0.00 C ATOM 1258 OXT ILE U 7 5.268 -11.329 -0.028 1.00 0.00 O ATOM 0 H ILE U 7 6.514 -7.874 0.306 1.00 0.00 H new ATOM 0 HA ILE U 7 4.738 -9.495 1.962 1.00 0.00 H new ATOM 0 HB ILE U 7 3.195 -9.886 0.049 1.00 0.00 H new ATOM 0 HG12 ILE U 7 4.589 -7.499 -1.247 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.875 -9.161 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.008 -7.707 0.201 1.00 0.00 H new ATOM 0 HG22 ILE U 7 2.628 -8.212 1.791 1.00 0.00 H new ATOM 0 HG23 ILE U 7 3.480 -6.956 0.862 1.00 0.00 H new ATOM 0 HD11 ILE U 7 3.148 -8.120 -3.172 1.00 0.00 H new ATOM 0 HD12 ILE U 7 2.444 -9.450 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE U 7 2.154 -7.761 -1.740 1.00 0.00 H new TER 1270 ILE U 7 ATOM 1271 N ILE W 1 7.390 11.846 -3.178 1.00 0.00 N ATOM 1272 CA ILE W 1 6.662 10.559 -3.007 1.00 0.00 C ATOM 1273 C ILE W 1 7.632 9.395 -3.155 1.00 0.00 C ATOM 1274 O ILE W 1 8.337 9.280 -4.169 1.00 0.00 O ATOM 1275 CB ILE W 1 5.531 10.473 -4.051 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.424 9.539 -3.558 1.00 0.00 C ATOM 1277 CG2 ILE W 1 6.065 9.991 -5.394 1.00 0.00 C ATOM 1278 CD1 ILE W 1 4.938 8.117 -3.312 1.00 0.00 C ATOM 0 H1 ILE W 1 6.724 12.638 -3.076 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.133 11.923 -2.454 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.823 11.877 -4.123 1.00 0.00 H new ATOM 0 HA ILE W 1 6.222 10.509 -2.011 1.00 0.00 H new ATOM 0 HB ILE W 1 5.117 11.472 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE W 1 4.000 9.935 -2.636 1.00 0.00 H new ATOM 0 HG13 ILE W 1 3.619 9.511 -4.293 1.00 0.00 H new ATOM 0 HG21 ILE W 1 5.248 9.939 -6.113 1.00 0.00 H new ATOM 0 HG22 ILE W 1 6.822 10.687 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE W 1 6.508 9.002 -5.276 1.00 0.00 H new ATOM 0 HD11 ILE W 1 4.118 7.489 -2.963 1.00 0.00 H new ATOM 0 HD12 ILE W 1 5.338 7.709 -4.240 1.00 0.00 H new ATOM 0 HD13 ILE W 1 5.724 8.140 -2.557 1.00 0.00 H new ATOM 1292 N HIS W 2 7.655 8.513 -2.153 1.00 0.00 N ATOM 1293 CA HIS W 2 8.522 7.359 -2.211 1.00 0.00 C ATOM 1294 C HIS W 2 7.678 6.094 -2.297 1.00 0.00 C ATOM 1295 O HIS W 2 6.877 5.824 -1.400 1.00 0.00 O ATOM 1296 CB HIS W 2 9.343 7.344 -0.905 1.00 0.00 C ATOM 1297 CG HIS W 2 10.075 6.043 -0.756 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.366 5.462 0.488 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.605 5.211 -1.691 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.046 4.332 0.250 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.223 4.127 -1.059 1.00 0.00 N ATOM 0 H HIS W 2 7.088 8.583 -1.308 1.00 0.00 H new ATOM 0 HA HIS W 2 9.175 7.402 -3.083 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.055 8.170 -0.907 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.682 7.495 -0.052 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.556 5.364 -2.759 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.407 3.668 1.022 1.00 0.00 H new ATOM 1308 N VAL W 3 7.893 5.286 -3.342 1.00 0.00 N ATOM 1309 CA VAL W 3 7.173 4.016 -3.472 1.00 0.00 C ATOM 1310 C VAL W 3 8.162 2.871 -3.451 1.00 0.00 C ATOM 1311 O VAL W 3 9.033 2.804 -4.324 1.00 0.00 O ATOM 1312 CB VAL W 3 6.396 3.967 -4.795 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.649 2.632 -4.884 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.396 5.134 -4.873 1.00 0.00 C ATOM 0 H VAL W 3 8.549 5.485 -4.098 1.00 0.00 H new ATOM 0 HA VAL W 3 6.473 3.931 -2.640 1.00 0.00 H new ATOM 0 HB VAL W 3 7.094 4.056 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.094 2.588 -5.821 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.365 1.811 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL W 3 4.956 2.546 -4.047 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.853 5.085 -5.817 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.691 5.065 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL W 3 5.935 6.080 -4.813 1.00 0.00 H new ATOM 1324 N HIS W 4 8.024 1.939 -2.499 1.00 0.00 N ATOM 1325 CA HIS W 4 8.908 0.795 -2.457 1.00 0.00 C ATOM 1326 C HIS W 4 8.131 -0.504 -2.624 1.00 0.00 C ATOM 1327 O HIS W 4 7.136 -0.733 -1.930 1.00 0.00 O ATOM 1328 CB HIS W 4 9.715 0.822 -1.143 1.00 0.00 C ATOM 1329 CG HIS W 4 10.997 0.053 -1.320 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.279 0.618 -1.188 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.197 -1.252 -1.627 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.169 -0.359 -1.417 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.566 -1.521 -1.687 1.00 0.00 N ATOM 0 H HIS W 4 7.317 1.964 -1.764 1.00 0.00 H new ATOM 0 HA HIS W 4 9.608 0.847 -3.291 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.933 1.852 -0.860 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.127 0.387 -0.335 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.414 -1.976 -1.799 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.240 -0.224 -1.387 1.00 0.00 H new ATOM 0 HE2 HIS W 4 13.012 -2.415 -1.893 1.00 0.00 H new ATOM 1341 N LEU W 5 8.598 -1.361 -3.541 1.00 0.00 N ATOM 1342 CA LEU W 5 7.938 -2.644 -3.791 1.00 0.00 C ATOM 1343 C LEU W 5 8.875 -3.804 -3.493 1.00 0.00 C ATOM 1344 O LEU W 5 9.866 -4.002 -4.201 1.00 0.00 O ATOM 1345 CB LEU W 5 7.515 -2.735 -5.256 1.00 0.00 C ATOM 1346 CG LEU W 5 6.710 -1.495 -5.654 1.00 0.00 C ATOM 1347 CD1 LEU W 5 6.290 -1.611 -7.131 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.473 -1.366 -4.752 1.00 0.00 C ATOM 0 H LEU W 5 9.423 -1.190 -4.116 1.00 0.00 H new ATOM 0 HA LEU W 5 7.067 -2.703 -3.138 1.00 0.00 H new ATOM 0 HB2 LEU W 5 8.396 -2.824 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU W 5 6.916 -3.632 -5.414 1.00 0.00 H new ATOM 0 HG LEU W 5 7.324 -0.603 -5.529 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.717 -0.729 -7.417 1.00 0.00 H new ATOM 0 HD12 LEU W 5 7.179 -1.684 -7.757 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.677 -2.502 -7.266 1.00 0.00 H new ATOM 0 HD21 LEU W 5 4.904 -0.482 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU W 5 4.848 -2.252 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.789 -1.272 -3.713 1.00 0.00 H new ATOM 1360 N GLN W 6 8.543 -4.589 -2.467 1.00 0.00 N ATOM 1361 CA GLN W 6 9.353 -5.755 -2.108 1.00 0.00 C ATOM 1362 C GLN W 6 8.465 -6.994 -2.082 1.00 0.00 C ATOM 1363 O GLN W 6 7.633 -7.158 -1.189 1.00 0.00 O ATOM 1364 CB GLN W 6 10.026 -5.524 -0.747 1.00 0.00 C ATOM 1365 CG GLN W 6 10.934 -6.711 -0.406 1.00 0.00 C ATOM 1366 CD GLN W 6 11.568 -6.528 0.975 1.00 0.00 C ATOM 1367 OE1 GLN W 6 10.874 -6.446 1.991 1.00 0.00 O ATOM 1368 NE2 GLN W 6 12.869 -6.448 1.069 1.00 0.00 N ATOM 0 H GLN W 6 7.726 -4.441 -1.874 1.00 0.00 H new ATOM 0 HA GLN W 6 10.138 -5.906 -2.849 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.610 -4.604 -0.772 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.268 -5.400 0.027 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.356 -7.635 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.715 -6.806 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.446 -6.515 0.231 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.307 -6.318 1.981 1.00 0.00 H new ATOM 1377 N ILE W 7 8.642 -7.862 -3.087 1.00 0.00 N ATOM 1378 CA ILE W 7 7.844 -9.089 -3.197 1.00 0.00 C ATOM 1379 C ILE W 7 8.756 -10.314 -3.215 1.00 0.00 C ATOM 1380 O ILE W 7 8.288 -11.382 -2.855 1.00 0.00 O ATOM 1381 CB ILE W 7 6.993 -9.063 -4.486 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.486 -7.633 -4.740 1.00 0.00 C ATOM 1383 CG2 ILE W 7 5.791 -10.024 -4.355 1.00 0.00 C ATOM 1384 CD1 ILE W 7 5.644 -7.600 -6.020 1.00 0.00 C ATOM 1385 OXT ILE W 7 9.909 -10.164 -3.585 1.00 0.00 O ATOM 0 H ILE W 7 9.328 -7.738 -3.832 1.00 0.00 H new ATOM 0 HA ILE W 7 7.183 -9.146 -2.332 1.00 0.00 H new ATOM 0 HB ILE W 7 7.612 -9.386 -5.324 1.00 0.00 H new ATOM 0 HG12 ILE W 7 5.890 -7.293 -3.893 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.330 -6.949 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.201 -9.995 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE W 7 6.153 -11.039 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.170 -9.717 -3.513 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.288 -6.585 -6.195 1.00 0.00 H new ATOM 0 HD12 ILE W 7 6.253 -7.921 -6.865 1.00 0.00 H new ATOM 0 HD13 ILE W 7 4.791 -8.270 -5.912 1.00 0.00 H new TER 1397 ILE W 7 ATOM 1398 N ILE Y 1 10.191 11.880 -7.509 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.443 10.597 -7.367 1.00 0.00 C ATOM 1400 C ILE Y 1 10.424 9.440 -7.413 1.00 0.00 C ATOM 1401 O ILE Y 1 11.089 9.233 -8.427 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.433 10.461 -8.524 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.434 11.625 -8.454 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.694 9.123 -8.419 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.606 11.660 -9.731 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.661 12.644 -7.043 1.00 0.00 H new ATOM 0 H2 ILE Y 1 11.127 11.787 -7.065 1.00 0.00 H new ATOM 0 H3 ILE Y 1 10.307 12.105 -8.518 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.909 10.587 -6.417 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.960 10.491 -9.478 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.782 11.507 -7.588 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.966 12.568 -8.327 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.982 9.035 -9.240 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.413 8.305 -8.472 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 7.160 9.076 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.897 12.486 -9.682 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 7.265 11.798 -10.588 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 6.063 10.721 -9.838 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.509 8.670 -6.319 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.425 7.522 -6.300 1.00 0.00 C ATOM 1421 C HIS Y 2 10.622 6.228 -6.358 1.00 0.00 C ATOM 1422 O HIS Y 2 9.780 5.971 -5.497 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.259 7.541 -4.997 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.491 8.402 -5.154 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.775 7.871 -5.104 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.653 9.755 -5.335 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.640 8.893 -5.251 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.008 10.061 -5.395 1.00 0.00 N ATOM 0 H HIS Y 2 9.974 8.814 -5.463 1.00 0.00 H new ATOM 0 HA HIS Y 2 12.091 7.582 -7.161 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.649 7.919 -4.176 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.553 6.525 -4.734 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.849 10.472 -5.418 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.714 8.782 -5.252 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.430 10.981 -5.522 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.922 5.396 -7.354 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.260 4.099 -7.494 1.00 0.00 C ATOM 1438 C VAL Y 3 11.291 2.985 -7.322 1.00 0.00 C ATOM 1439 O VAL Y 3 12.285 2.954 -8.050 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.620 4.005 -8.884 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.937 2.646 -9.045 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.584 5.126 -9.054 1.00 0.00 C ATOM 0 H VAL Y 3 11.617 5.595 -8.074 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.486 3.994 -6.733 1.00 0.00 H new ATOM 0 HB VAL Y 3 10.394 4.112 -9.644 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.483 2.582 -10.034 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.675 1.852 -8.933 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.165 2.534 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 8.131 5.056 -10.043 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.810 5.025 -8.293 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 9.074 6.094 -8.947 1.00 0.00 H new ATOM 1452 N HIS Y 4 11.053 2.057 -6.394 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.984 0.932 -6.192 1.00 0.00 C ATOM 1454 C HIS Y 4 11.261 -0.391 -6.460 1.00 0.00 C ATOM 1455 O HIS Y 4 10.186 -0.627 -5.906 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.552 0.944 -4.745 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.233 2.270 -4.405 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.108 2.878 -3.145 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.061 3.105 -5.130 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.836 4.011 -3.167 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.435 4.199 -4.348 1.00 0.00 N ATOM 0 H HIS Y 4 10.240 2.055 -5.777 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.816 1.037 -6.889 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.744 0.760 -4.037 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.267 0.130 -4.630 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.373 2.936 -6.150 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 13.925 4.688 -2.330 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.854 -1.260 -7.292 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.245 -2.569 -7.601 1.00 0.00 C ATOM 1470 C LEU Y 5 12.193 -3.699 -7.230 1.00 0.00 C ATOM 1471 O LEU Y 5 13.303 -3.788 -7.756 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.900 -2.650 -9.099 1.00 0.00 C ATOM 1473 CG LEU Y 5 10.385 -4.055 -9.464 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.130 -4.387 -8.650 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 10.032 -4.087 -10.953 1.00 0.00 C ATOM 0 H LEU Y 5 12.744 -1.087 -7.760 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.331 -2.671 -7.016 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 10.143 -1.905 -9.344 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 11.783 -2.415 -9.694 1.00 0.00 H new ATOM 0 HG LEU Y 5 11.161 -4.787 -9.242 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 8.776 -5.383 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 9.368 -4.360 -7.587 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 8.352 -3.655 -8.866 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 9.667 -5.079 -11.219 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 9.258 -3.348 -11.159 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 10.920 -3.857 -11.542 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.741 -4.580 -6.341 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.548 -5.726 -5.931 1.00 0.00 C ATOM 1489 C GLN Y 6 11.680 -6.978 -5.939 1.00 0.00 C ATOM 1490 O GLN Y 6 10.764 -7.123 -5.126 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.142 -5.486 -4.536 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.066 -6.650 -4.156 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.602 -6.464 -2.736 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 13.836 -6.394 -1.779 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 15.889 -6.373 -2.545 1.00 0.00 N ATOM 0 H GLN Y 6 10.826 -4.523 -5.893 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.374 -5.860 -6.630 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.699 -4.549 -4.524 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.342 -5.390 -3.802 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.522 -7.592 -4.226 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 14.896 -6.708 -4.860 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.528 -6.431 -3.338 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.257 -6.244 -1.602 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.972 -7.871 -6.881 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.218 -9.111 -7.026 1.00 0.00 C ATOM 1506 C ILE Y 7 12.121 -10.230 -7.539 1.00 0.00 C ATOM 1507 O ILE Y 7 13.327 -10.045 -7.521 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.046 -8.895 -7.999 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.566 -8.449 -9.374 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.111 -7.823 -7.441 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.406 -8.431 -10.375 1.00 0.00 C ATOM 1512 OXT ILE Y 7 11.593 -11.254 -7.940 1.00 0.00 O ATOM 0 H ILE Y 7 12.728 -7.758 -7.557 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.829 -9.400 -6.050 1.00 0.00 H new ATOM 0 HB ILE Y 7 9.507 -9.835 -8.112 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 11.014 -7.458 -9.302 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 11.347 -9.128 -9.717 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.281 -7.670 -8.130 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 8.725 -8.145 -6.474 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 9.659 -6.889 -7.320 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 9.773 -8.115 -11.351 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 8.978 -9.430 -10.454 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 8.640 -7.735 -10.032 1.00 0.00 H new TER 1524 ILE Y 7 HETATM 1525 ZN ZN A 101 -13.946 -1.928 2.800 1.00 0.00 ZN HETATM 1526 ZN ZN C 101 -11.033 -5.690 -1.093 1.00 0.00 ZN HETATM 1527 ZN ZN E 101 -8.195 -2.187 -4.901 1.00 0.00 ZN HETATM 1528 ZN ZN G 101 -5.031 -5.847 -8.940 1.00 0.00 ZN HETATM 1529 ZN ZN I 101 -2.290 -2.282 -12.826 1.00 0.00 ZN HETATM 1530 ZN ZN K 101 0.629 -5.710 -16.626 1.00 0.00 ZN HETATM 1531 ZN ZN O 101 0.977 1.734 14.316 1.00 0.00 ZN HETATM 1532 ZN ZN Q 101 3.869 5.547 10.353 1.00 0.00 ZN HETATM 1533 ZN ZN S 101 6.734 2.150 6.579 1.00 0.00 ZN HETATM 1534 ZN ZN U 101 9.581 5.949 2.464 1.00 0.00 ZN HETATM 1535 ZN ZN W 101 12.392 2.538 -1.056 1.00 0.00 ZN HETATM 1536 ZN ZN Y 101 15.314 5.820 -4.926 1.00 0.00 ZN