USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=22 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 Set 1.1: O 2 HIS : no HE2:sc= -0.637 K(o=-4.3,f=-4.9) USER MOD Set 1.2: O 4 HIS : no HD1:sc= -0.0765 K(o=-4.3,f=-4.9) USER MOD Set 1.3: Q 2 HIS : no HD1:sc= -1.72 K(o=-4.3,f=-5.8!) USER MOD Set 1.4: Q 4 HIS : no HE2:sc= 0 K(o=-4.3,f=-5.2) USER MOD Set 1.5: S 2 HIS : no HE2:sc= -0.291 K(o=-4.3,f=-6.9) USER MOD Set 1.6: S 4 HIS : no HD1:sc= -0.0538 X(o=-4.3,f=-4.3) USER MOD Set 1.7: U 2 HIS : no HD1:sc= -1.48 K(o=-4.3,f=-4.9!) USER MOD Set 1.8: U 4 HIS : no HE2:sc= 0 X(o=-4.3,f=-4.4) USER MOD Set 1.9: W 2 HIS : +bothHN:sc= -0.249 K(o=-4.3,f=-7.7) USER MOD Set 1.10: W 4 HIS : no HD1:sc= -0.111 X(o=-4.3,f=-4.2) USER MOD Set 1.11: Y 2 HIS : no HD1:sc= 0 X(o=-4.3,f=-4.5) USER MOD Set 1.12: Y 4 HIS : no HD1:sc= 0.299 K(o=-4.3,f=-6.3) USER MOD Set 2.1: O 6 GLN : amide:sc= 0.485 K(o=-0.022,f=-0.96) USER MOD Set 2.2: Q 6 GLN : amide:sc= 0.559 K(o=-0.022,f=-4.8!) USER MOD Set 2.3: S 6 GLN : amide:sc= -0.0264 K(o=-0.022,f=-9!) USER MOD Set 2.4: U 6 GLN : amide:sc= 0.0916 K(o=-0.022,f=-8.4!) USER MOD Set 2.5: W 6 GLN : amide:sc= -0.408 K(o=-0.022,f=-8.1!) USER MOD Set 2.6: Y 6 GLN : amide:sc= -0.724 K(o=-0.022,f=-8.5!) USER MOD Set 3.1: A 6 GLN : amide:sc= 0.606 K(o=0.21,f=-0.95) USER MOD Set 3.2: C 6 GLN : amide:sc= 0.683 K(o=0.21,f=-4.6!) USER MOD Set 3.3: E 6 GLN : amide:sc= -0.0587 K(o=0.21,f=-8.5!) USER MOD Set 3.4: G 6 GLN : amide:sc= 0.0281 K(o=0.21,f=-7.6!) USER MOD Set 3.5: I 6 GLN : amide:sc= -0.448 K(o=0.21,f=-7.4!) USER MOD Set 3.6: K 6 GLN : amide:sc= -0.597 K(o=0.21,f=-8!) USER MOD Set 4.1: A 2 HIS : no HE2:sc= -0.504 X(o=-3.5,f=-3.6) USER MOD Set 4.2: A 4 HIS : no HD1:sc= -0.103 X(o=-3.5,f=-3.9) USER MOD Set 4.3: C 2 HIS : no HD1:sc= -1.23 K(o=-3.5,f=-5.8!) USER MOD Set 4.4: C 4 HIS : no HE2:sc= 0 X(o=-3.5,f=-3.7) USER MOD Set 4.5: E 2 HIS : no HE2:sc= 0.0752 K(o=-3.5,f=-7.7) USER MOD Set 4.6: E 4 HIS : no HD1:sc= -0.0549 X(o=-3.5,f=-3.7) USER MOD Set 4.7: G 2 HIS : no HD1:sc= -1.3 K(o=-3.5,f=-4.6!) USER MOD Set 4.8: G 4 HIS : no HE2:sc= 0 X(o=-3.5,f=-3.8) USER MOD Set 4.9: I 2 HIS : +bothHN:sc= -0.319 K(o=-3.5,f=-5.7) USER MOD Set 4.10: I 4 HIS : no HD1:sc= -0.0533 X(o=-3.5,f=-3.5) USER MOD Set 4.11: K 2 HIS : no HD1:sc= 0 X(o=-3.5,f=-3.5) USER MOD Set 4.12: K 4 HIS : no HD1:sc= 0.0254 X(o=-3.5,f=-3.5) USER MOD Single : A 1 ILE N :NH3+ 162:sc= -0.183 (180deg=-0.854) USER MOD Single : C 1 ILE N :NH3+ -153:sc= -0.171 (180deg=-0.998) USER MOD Single : E 1 ILE N :NH3+ 165:sc= -0.329 (180deg=-0.782) USER MOD Single : G 1 ILE N :NH3+ -156:sc= -0.157 (180deg=-1.09) USER MOD Single : I 1 ILE N :NH3+ 167:sc= -0.309 (180deg=-0.883) USER MOD Single : K 1 ILE N :NH3+ -138:sc= -0.194 (180deg=-1.05) USER MOD Single : O 1 ILE N :NH3+ 163:sc= -0.295 (180deg=-0.884) USER MOD Single : Q 1 ILE N :NH3+ -151:sc= -0.203 (180deg=-1.01) USER MOD Single : S 1 ILE N :NH3+ 164:sc= -0.312 (180deg=-0.813) USER MOD Single : U 1 ILE N :NH3+ -151:sc= -0.162 (180deg=-1.13) USER MOD Single : W 1 ILE N :NH3+ 164:sc= -0.443 (180deg=-0.955) USER MOD Single : Y 1 ILE N :NH3+ -153:sc= -0.152 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.182 -11.548 7.618 1.00 0.00 N ATOM 2 CA ILE A 1 -11.677 -10.295 8.256 1.00 0.00 C ATOM 3 C ILE A 1 -11.622 -9.141 7.255 1.00 0.00 C ATOM 4 O ILE A 1 -10.726 -9.062 6.403 1.00 0.00 O ATOM 5 CB ILE A 1 -10.821 -9.978 9.502 1.00 0.00 C ATOM 6 CG1 ILE A 1 -11.001 -8.509 9.913 1.00 0.00 C ATOM 7 CG2 ILE A 1 -9.351 -10.249 9.197 1.00 0.00 C ATOM 8 CD1 ILE A 1 -10.463 -8.294 11.329 1.00 0.00 C ATOM 0 H1 ILE A 1 -10.934 -12.238 8.355 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.926 -11.945 7.009 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.341 -11.337 7.044 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.713 -10.429 8.566 1.00 0.00 H new ATOM 0 HB ILE A 1 -11.146 -10.616 10.324 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -10.476 -7.860 9.213 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -12.056 -8.237 9.870 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -8.749 -10.025 10.078 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -9.223 -11.297 8.927 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -9.029 -9.619 8.368 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -10.594 -7.250 11.613 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -11.008 -8.931 12.026 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -9.403 -8.548 11.358 1.00 0.00 H new ATOM 22 N HIS A 2 -12.587 -8.232 7.389 1.00 0.00 N ATOM 23 CA HIS A 2 -12.652 -7.071 6.547 1.00 0.00 C ATOM 24 C HIS A 2 -12.409 -5.845 7.412 1.00 0.00 C ATOM 25 O HIS A 2 -13.148 -5.605 8.368 1.00 0.00 O ATOM 26 CB HIS A 2 -14.078 -7.038 5.960 1.00 0.00 C ATOM 27 CG HIS A 2 -14.410 -5.690 5.393 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.712 -5.178 5.378 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.633 -4.756 4.781 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.669 -3.985 4.770 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.433 -3.674 4.382 1.00 0.00 N ATOM 0 H HIS A 2 -13.333 -8.292 8.082 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.911 -7.091 5.748 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -14.169 -7.794 5.180 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.798 -7.294 6.737 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.542 -5.630 5.760 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.567 -4.835 4.626 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.531 -3.353 4.614 1.00 0.00 H new ATOM 38 N VAL A 3 -11.398 -5.053 7.065 1.00 0.00 N ATOM 39 CA VAL A 3 -11.107 -3.832 7.817 1.00 0.00 C ATOM 40 C VAL A 3 -11.257 -2.619 6.913 1.00 0.00 C ATOM 41 O VAL A 3 -10.572 -2.523 5.895 1.00 0.00 O ATOM 42 CB VAL A 3 -9.682 -3.887 8.362 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.407 -2.623 9.182 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.500 -5.136 9.242 1.00 0.00 C ATOM 0 H VAL A 3 -10.773 -5.230 6.279 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.809 -3.752 8.647 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.978 -3.942 7.531 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.390 -2.657 9.574 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.522 -1.745 8.546 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.113 -2.566 10.010 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.480 -5.165 9.626 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.200 -5.098 10.076 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.690 -6.030 8.648 1.00 0.00 H new ATOM 54 N HIS A 4 -12.131 -1.677 7.289 1.00 0.00 N ATOM 55 CA HIS A 4 -12.325 -0.479 6.509 1.00 0.00 C ATOM 56 C HIS A 4 -11.968 0.774 7.304 1.00 0.00 C ATOM 57 O HIS A 4 -12.418 0.950 8.435 1.00 0.00 O ATOM 58 CB HIS A 4 -13.786 -0.454 6.031 1.00 0.00 C ATOM 59 CG HIS A 4 -13.916 0.422 4.816 1.00 0.00 C ATOM 60 ND1 HIS A 4 -14.254 -0.055 3.536 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.760 1.757 4.689 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.285 1.006 2.715 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.995 2.138 3.366 1.00 0.00 N ATOM 0 H HIS A 4 -12.707 -1.734 8.129 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.657 -0.487 5.648 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.118 -1.466 5.797 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.431 -0.083 6.827 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.493 2.430 5.491 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.515 0.953 1.661 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.954 3.080 2.978 1.00 0.00 H new ATOM 71 N LEU A 5 -11.167 1.649 6.696 1.00 0.00 N ATOM 72 CA LEU A 5 -10.754 2.899 7.341 1.00 0.00 C ATOM 73 C LEU A 5 -11.060 4.080 6.432 1.00 0.00 C ATOM 74 O LEU A 5 -10.577 4.138 5.303 1.00 0.00 O ATOM 75 CB LEU A 5 -9.254 2.848 7.596 1.00 0.00 C ATOM 76 CG LEU A 5 -8.917 1.633 8.464 1.00 0.00 C ATOM 77 CD1 LEU A 5 -7.392 1.519 8.595 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.559 1.785 9.858 1.00 0.00 C ATOM 0 H LEU A 5 -10.790 1.517 5.757 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.296 3.018 8.279 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.717 2.791 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.929 3.762 8.092 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.311 0.730 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.143 0.656 9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.950 1.398 7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.998 2.423 9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.314 0.916 10.468 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.176 2.685 10.339 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.641 1.861 9.754 1.00 0.00 H new ATOM 90 N GLN A 6 -11.842 5.034 6.931 1.00 0.00 N ATOM 91 CA GLN A 6 -12.178 6.229 6.156 1.00 0.00 C ATOM 92 C GLN A 6 -11.838 7.459 6.983 1.00 0.00 C ATOM 93 O GLN A 6 -12.512 7.758 7.969 1.00 0.00 O ATOM 94 CB GLN A 6 -13.668 6.221 5.800 1.00 0.00 C ATOM 95 CG GLN A 6 -13.987 7.412 4.889 1.00 0.00 C ATOM 96 CD GLN A 6 -15.484 7.470 4.606 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.288 7.580 5.533 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.907 7.408 3.374 1.00 0.00 N ATOM 0 H GLN A 6 -12.254 5.005 7.864 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.605 6.243 5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.927 5.288 5.300 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.269 6.274 6.708 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.662 8.339 5.362 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.435 7.322 3.953 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.238 7.317 2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.907 7.451 3.175 1.00 0.00 H new ATOM 107 N ILE A 7 -10.777 8.164 6.588 1.00 0.00 N ATOM 108 CA ILE A 7 -10.336 9.357 7.313 1.00 0.00 C ATOM 109 C ILE A 7 -10.334 10.557 6.374 1.00 0.00 C ATOM 110 O ILE A 7 -11.023 11.520 6.670 1.00 0.00 O ATOM 111 CB ILE A 7 -8.921 9.129 7.865 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.897 7.866 8.728 1.00 0.00 C ATOM 113 CG2 ILE A 7 -8.501 10.315 8.735 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.445 7.516 9.077 1.00 0.00 C ATOM 115 OXT ILE A 7 -9.641 10.498 5.371 1.00 0.00 O ATOM 0 H ILE A 7 -10.209 7.931 5.773 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.019 9.550 8.140 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.235 9.022 7.024 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.474 8.024 9.639 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.364 7.038 8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.496 10.145 9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.510 11.226 8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.197 10.421 9.567 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.425 6.616 9.692 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.882 7.341 8.160 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.994 8.342 9.627 1.00 0.00 H new ATOM 128 N ILE C 1 -8.416 -11.736 3.714 1.00 0.00 N ATOM 129 CA ILE C 1 -8.356 -10.457 4.478 1.00 0.00 C ATOM 130 C ILE C 1 -8.412 -9.288 3.504 1.00 0.00 C ATOM 131 O ILE C 1 -7.529 -9.129 2.648 1.00 0.00 O ATOM 132 CB ILE C 1 -7.044 -10.398 5.279 1.00 0.00 C ATOM 133 CG1 ILE C 1 -7.023 -11.551 6.289 1.00 0.00 C ATOM 134 CG2 ILE C 1 -6.953 -9.062 6.022 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.628 -11.670 6.905 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.828 -12.479 4.313 1.00 0.00 H new ATOM 0 H2 ILE C 1 -9.006 -11.607 2.867 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.456 -12.015 3.428 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.200 -10.401 5.165 1.00 0.00 H new ATOM 0 HB ILE C 1 -6.195 -10.487 4.601 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.763 -11.377 7.070 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.294 -12.484 5.796 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.023 -9.023 6.588 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -6.974 -8.243 5.303 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -7.797 -8.967 6.705 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.616 -12.490 7.623 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.899 -11.865 6.119 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.374 -10.740 7.413 1.00 0.00 H new ATOM 149 N HIS C 2 -9.444 -8.451 3.629 1.00 0.00 N ATOM 150 CA HIS C 2 -9.545 -7.276 2.758 1.00 0.00 C ATOM 151 C HIS C 2 -9.357 -6.023 3.606 1.00 0.00 C ATOM 152 O HIS C 2 -10.124 -5.788 4.539 1.00 0.00 O ATOM 153 CB HIS C 2 -10.933 -7.241 2.076 1.00 0.00 C ATOM 154 CG HIS C 2 -10.921 -8.050 0.796 1.00 0.00 C ATOM 155 ND1 HIS C 2 -11.150 -7.473 -0.447 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.728 -9.390 0.552 1.00 0.00 C ATOM 157 CE1 HIS C 2 -11.088 -8.452 -1.368 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.834 -9.640 -0.813 1.00 0.00 N ATOM 0 H HIS C 2 -10.202 -8.558 4.304 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.777 -7.323 1.986 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.688 -7.637 2.755 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.211 -6.210 1.858 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.525 -10.136 1.306 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.227 -8.296 -2.428 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.738 -10.538 -1.288 1.00 0.00 H new ATOM 166 N VAL C 3 -8.375 -5.190 3.252 1.00 0.00 N ATOM 167 CA VAL C 3 -8.158 -3.930 3.971 1.00 0.00 C ATOM 168 C VAL C 3 -8.392 -2.758 3.019 1.00 0.00 C ATOM 169 O VAL C 3 -7.771 -2.683 1.949 1.00 0.00 O ATOM 170 CB VAL C 3 -6.742 -3.893 4.563 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.567 -5.040 5.566 1.00 0.00 C ATOM 172 CG2 VAL C 3 -5.726 -4.050 3.448 1.00 0.00 C ATOM 0 H VAL C 3 -7.726 -5.360 2.484 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.864 -3.853 4.798 1.00 0.00 H new ATOM 0 HB VAL C 3 -6.591 -2.940 5.071 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.560 -5.009 5.983 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -7.296 -4.935 6.370 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.720 -5.993 5.059 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -4.720 -4.024 3.866 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -5.884 -5.003 2.943 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -5.843 -3.236 2.732 1.00 0.00 H new ATOM 182 N HIS C 4 -9.275 -1.836 3.404 1.00 0.00 N ATOM 183 CA HIS C 4 -9.565 -0.662 2.568 1.00 0.00 C ATOM 184 C HIS C 4 -9.201 0.615 3.329 1.00 0.00 C ATOM 185 O HIS C 4 -9.640 0.795 4.466 1.00 0.00 O ATOM 186 CB HIS C 4 -11.074 -0.647 2.194 1.00 0.00 C ATOM 187 CG HIS C 4 -11.507 -1.942 1.493 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.743 -2.554 1.746 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.899 -2.741 0.541 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.824 -3.652 0.970 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.732 -3.816 0.218 1.00 0.00 N ATOM 0 H HIS C 4 -9.799 -1.874 4.279 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.972 -0.712 1.655 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.669 -0.507 3.096 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.277 0.203 1.543 1.00 0.00 H new ATOM 0 HD1 HIS C 4 -13.453 -2.226 2.400 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.925 -2.561 0.111 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.672 -4.321 0.957 1.00 0.00 H new ATOM 198 N LEU C 5 -8.426 1.513 2.709 1.00 0.00 N ATOM 199 CA LEU C 5 -8.054 2.779 3.368 1.00 0.00 C ATOM 200 C LEU C 5 -8.289 3.960 2.438 1.00 0.00 C ATOM 201 O LEU C 5 -7.651 4.079 1.390 1.00 0.00 O ATOM 202 CB LEU C 5 -6.587 2.747 3.817 1.00 0.00 C ATOM 203 CG LEU C 5 -6.353 1.568 4.799 1.00 0.00 C ATOM 204 CD1 LEU C 5 -5.931 0.302 4.031 1.00 0.00 C ATOM 205 CD2 LEU C 5 -5.250 1.943 5.800 1.00 0.00 C ATOM 0 H LEU C 5 -8.048 1.394 1.769 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.686 2.897 4.248 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.936 2.642 2.949 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -6.326 3.689 4.299 1.00 0.00 H new ATOM 0 HG LEU C 5 -7.284 1.367 5.330 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -5.771 -0.514 4.735 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -6.715 0.025 3.327 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -5.007 0.498 3.487 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.087 1.114 6.489 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -4.326 2.154 5.261 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -5.553 2.827 6.361 1.00 0.00 H new ATOM 217 N GLN C 6 -9.198 4.847 2.847 1.00 0.00 N ATOM 218 CA GLN C 6 -9.508 6.042 2.066 1.00 0.00 C ATOM 219 C GLN C 6 -9.101 7.271 2.859 1.00 0.00 C ATOM 220 O GLN C 6 -9.675 7.566 3.908 1.00 0.00 O ATOM 221 CB GLN C 6 -11.007 6.088 1.743 1.00 0.00 C ATOM 222 CG GLN C 6 -11.306 7.314 0.873 1.00 0.00 C ATOM 223 CD GLN C 6 -12.800 7.425 0.605 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.597 7.540 1.538 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.226 7.396 -0.628 1.00 0.00 N ATOM 0 H GLN C 6 -9.730 4.759 3.713 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.956 6.018 1.126 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.306 5.178 1.222 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.587 6.133 2.665 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -10.952 8.216 1.372 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.766 7.238 -0.071 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.561 7.301 -1.395 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.224 7.469 -0.825 1.00 0.00 H new ATOM 234 N ILE C 7 -8.098 7.978 2.353 1.00 0.00 N ATOM 235 CA ILE C 7 -7.584 9.175 3.011 1.00 0.00 C ATOM 236 C ILE C 7 -7.799 10.389 2.116 1.00 0.00 C ATOM 237 O ILE C 7 -8.658 11.193 2.434 1.00 0.00 O ATOM 238 CB ILE C 7 -6.087 8.993 3.272 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.832 7.606 3.895 1.00 0.00 C ATOM 240 CG2 ILE C 7 -5.587 10.108 4.198 1.00 0.00 C ATOM 241 CD1 ILE C 7 -6.583 7.445 5.217 1.00 0.00 C ATOM 242 OXT ILE C 7 -7.098 10.495 1.122 1.00 0.00 O ATOM 0 H ILE C 7 -7.621 7.742 1.483 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.110 9.329 3.953 1.00 0.00 H new ATOM 0 HB ILE C 7 -5.540 9.053 2.331 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.146 6.829 3.199 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -4.763 7.471 4.062 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -4.521 9.977 4.383 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -5.757 11.076 3.727 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.127 10.065 5.144 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -6.383 6.457 5.631 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -6.249 8.208 5.920 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -7.653 7.555 5.043 1.00 0.00 H new ATOM 255 N ILE E 1 -4.902 -11.741 -0.212 1.00 0.00 N ATOM 256 CA ILE E 1 -5.407 -10.508 0.454 1.00 0.00 C ATOM 257 C ILE E 1 -5.494 -9.371 -0.557 1.00 0.00 C ATOM 258 O ILE E 1 -4.686 -9.277 -1.495 1.00 0.00 O ATOM 259 CB ILE E 1 -4.463 -10.124 1.615 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.567 -8.618 1.924 1.00 0.00 C ATOM 261 CG2 ILE E 1 -3.024 -10.452 1.230 1.00 0.00 C ATOM 262 CD1 ILE E 1 -3.993 -8.332 3.303 1.00 0.00 C ATOM 0 H1 ILE E 1 -4.605 -12.428 0.510 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.657 -12.155 -0.794 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.091 -11.501 -0.817 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.403 -10.694 0.855 1.00 0.00 H new ATOM 0 HB ILE E 1 -4.755 -10.690 2.500 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.027 -8.045 1.170 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -5.609 -8.300 1.881 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -2.358 -10.181 2.049 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -2.936 -11.519 1.028 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -2.749 -9.890 0.337 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -4.070 -7.266 3.515 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -4.552 -8.892 4.053 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.946 -8.633 3.331 1.00 0.00 H new ATOM 276 N HIS E 2 -6.464 -8.480 -0.330 1.00 0.00 N ATOM 277 CA HIS E 2 -6.627 -7.328 -1.183 1.00 0.00 C ATOM 278 C HIS E 2 -6.323 -6.079 -0.371 1.00 0.00 C ATOM 279 O HIS E 2 -6.973 -5.828 0.648 1.00 0.00 O ATOM 280 CB HIS E 2 -8.098 -7.299 -1.650 1.00 0.00 C ATOM 281 CG HIS E 2 -8.443 -5.964 -2.253 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.702 -5.352 -2.115 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.707 -5.124 -3.031 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.668 -4.206 -2.805 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.485 -4.009 -3.382 1.00 0.00 N ATOM 0 H HIS E 2 -7.137 -8.544 0.434 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.958 -7.372 -2.043 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.267 -8.088 -2.383 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.756 -7.502 -0.805 1.00 0.00 H new ATOM 0 HD1 HIS E 2 -10.495 -5.715 -1.586 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.683 -5.289 -3.332 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.501 -3.523 -2.884 1.00 0.00 H new ATOM 292 N VAL E 3 -5.367 -5.275 -0.836 1.00 0.00 N ATOM 293 CA VAL E 3 -5.036 -4.030 -0.145 1.00 0.00 C ATOM 294 C VAL E 3 -5.306 -2.845 -1.045 1.00 0.00 C ATOM 295 O VAL E 3 -4.701 -2.736 -2.113 1.00 0.00 O ATOM 296 CB VAL E 3 -3.553 -4.038 0.238 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.202 -2.732 0.964 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.245 -5.251 1.143 1.00 0.00 C ATOM 0 H VAL E 3 -4.816 -5.459 -1.675 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.653 -3.950 0.750 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.949 -4.117 -0.666 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.146 -2.739 1.236 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.402 -1.885 0.307 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.808 -2.643 1.865 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.188 -5.247 1.409 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.848 -5.191 2.049 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.481 -6.172 0.610 1.00 0.00 H new ATOM 308 N HIS E 4 -6.182 -1.926 -0.608 1.00 0.00 N ATOM 309 CA HIS E 4 -6.467 -0.743 -1.384 1.00 0.00 C ATOM 310 C HIS E 4 -6.111 0.530 -0.623 1.00 0.00 C ATOM 311 O HIS E 4 -6.516 0.709 0.529 1.00 0.00 O ATOM 312 CB HIS E 4 -7.949 -0.781 -1.791 1.00 0.00 C ATOM 313 CG HIS E 4 -8.173 0.078 -3.003 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.519 -0.421 -4.275 1.00 0.00 N ATOM 315 CD2 HIS E 4 -8.118 1.420 -3.132 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.656 0.636 -5.090 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.426 1.784 -4.445 1.00 0.00 N ATOM 0 H HIS E 4 -6.693 -1.992 0.272 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.848 -0.732 -2.281 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -8.250 -1.807 -2.002 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.570 -0.430 -0.967 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.872 2.110 -2.338 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.919 0.568 -6.135 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -8.467 2.727 -4.831 1.00 0.00 H new ATOM 325 N LEU E 5 -5.364 1.415 -1.286 1.00 0.00 N ATOM 326 CA LEU E 5 -4.952 2.687 -0.689 1.00 0.00 C ATOM 327 C LEU E 5 -5.348 3.839 -1.602 1.00 0.00 C ATOM 328 O LEU E 5 -4.931 3.883 -2.760 1.00 0.00 O ATOM 329 CB LEU E 5 -3.434 2.693 -0.537 1.00 0.00 C ATOM 330 CG LEU E 5 -2.986 1.488 0.293 1.00 0.00 C ATOM 331 CD1 LEU E 5 -1.448 1.441 0.337 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.556 1.599 1.719 1.00 0.00 C ATOM 0 H LEU E 5 -5.031 1.273 -2.240 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.436 2.802 0.281 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.962 2.664 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -3.112 3.616 -0.056 1.00 0.00 H new ATOM 0 HG LEU E 5 -3.358 0.571 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -1.127 0.583 0.928 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -1.058 1.350 -0.677 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -1.069 2.357 0.791 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -3.235 0.739 2.307 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -3.192 2.514 2.186 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -4.645 1.622 1.675 1.00 0.00 H new ATOM 344 N GLN E 6 -6.124 4.787 -1.080 1.00 0.00 N ATOM 345 CA GLN E 6 -6.533 5.950 -1.870 1.00 0.00 C ATOM 346 C GLN E 6 -6.189 7.217 -1.102 1.00 0.00 C ATOM 347 O GLN E 6 -6.812 7.524 -0.086 1.00 0.00 O ATOM 348 CB GLN E 6 -8.039 5.884 -2.164 1.00 0.00 C ATOM 349 CG GLN E 6 -8.433 7.041 -3.087 1.00 0.00 C ATOM 350 CD GLN E 6 -9.940 7.048 -3.327 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.731 7.101 -2.380 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.387 7.012 -4.553 1.00 0.00 N ATOM 0 H GLN E 6 -6.480 4.775 -0.124 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.003 5.955 -2.822 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.287 4.931 -2.632 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.604 5.939 -1.234 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.126 7.988 -2.643 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.908 6.949 -4.038 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.732 6.968 -5.334 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.391 7.028 -4.730 1.00 0.00 H new ATOM 361 N ILE E 7 -5.177 7.942 -1.583 1.00 0.00 N ATOM 362 CA ILE E 7 -4.731 9.170 -0.922 1.00 0.00 C ATOM 363 C ILE E 7 -4.841 10.349 -1.882 1.00 0.00 C ATOM 364 O ILE E 7 -5.511 11.308 -1.537 1.00 0.00 O ATOM 365 CB ILE E 7 -3.274 9.010 -0.472 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.131 7.763 0.399 1.00 0.00 C ATOM 367 CG2 ILE E 7 -2.853 10.222 0.357 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.645 7.502 0.666 1.00 0.00 C ATOM 369 OXT ILE E 7 -4.247 10.278 -2.946 1.00 0.00 O ATOM 0 H ILE E 7 -4.653 7.701 -2.424 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.363 9.357 -0.054 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.646 8.922 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.663 7.899 1.340 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.580 6.904 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -1.817 10.104 0.674 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -2.947 11.125 -0.246 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -3.494 10.303 1.235 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.538 6.613 1.287 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.127 7.348 -0.281 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.212 8.359 1.181 1.00 0.00 H new ATOM 382 N ILE G 1 -2.034 -11.824 -4.033 1.00 0.00 N ATOM 383 CA ILE G 1 -1.985 -10.538 -3.285 1.00 0.00 C ATOM 384 C ILE G 1 -2.096 -9.377 -4.269 1.00 0.00 C ATOM 385 O ILE G 1 -1.230 -9.197 -5.139 1.00 0.00 O ATOM 386 CB ILE G 1 -0.650 -10.442 -2.529 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.562 -11.591 -1.518 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.565 -9.098 -1.798 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.854 -11.666 -0.951 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.363 -12.581 -3.401 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.689 -11.734 -4.836 1.00 0.00 H new ATOM 0 H3 ILE G 1 -1.084 -12.057 -4.386 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.811 -10.494 -2.575 1.00 0.00 H new ATOM 0 HB ILE G 1 0.177 -10.513 -3.235 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.280 -11.436 -0.712 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.822 -12.534 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE G 1 0.383 -9.034 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.629 -8.285 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.388 -9.017 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.915 -12.483 -0.232 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.562 -11.841 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE G 1 1.097 -10.727 -0.454 1.00 0.00 H new ATOM 403 N HIS G 2 -3.157 -8.574 -4.135 1.00 0.00 N ATOM 404 CA HIS G 2 -3.313 -7.414 -5.019 1.00 0.00 C ATOM 405 C HIS G 2 -3.140 -6.140 -4.201 1.00 0.00 C ATOM 406 O HIS G 2 -3.885 -5.913 -3.248 1.00 0.00 O ATOM 407 CB HIS G 2 -4.719 -7.429 -5.663 1.00 0.00 C ATOM 408 CG HIS G 2 -4.721 -8.255 -6.933 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.989 -7.700 -8.179 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.506 -9.593 -7.163 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.928 -8.691 -9.086 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.638 -9.864 -8.521 1.00 0.00 N ATOM 0 H HIS G 2 -3.899 -8.699 -3.446 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.561 -7.453 -5.807 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.443 -7.837 -4.957 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.032 -6.409 -5.887 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.270 -10.324 -6.404 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.094 -8.554 -10.144 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.535 -10.766 -8.985 1.00 0.00 H new ATOM 420 N VAL G 3 -2.196 -5.283 -4.604 1.00 0.00 N ATOM 421 CA VAL G 3 -1.995 -4.002 -3.922 1.00 0.00 C ATOM 422 C VAL G 3 -2.305 -2.863 -4.892 1.00 0.00 C ATOM 423 O VAL G 3 -1.723 -2.791 -5.986 1.00 0.00 O ATOM 424 CB VAL G 3 -0.559 -3.899 -3.391 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.303 -5.016 -2.375 1.00 0.00 C ATOM 426 CG2 VAL G 3 0.418 -4.040 -4.545 1.00 0.00 C ATOM 0 H VAL G 3 -1.567 -5.450 -5.389 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.669 -3.932 -3.068 1.00 0.00 H new ATOM 0 HB VAL G 3 -0.423 -2.931 -2.909 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.718 -4.940 -2.000 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -1.003 -4.920 -1.545 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.441 -5.984 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL G 3 1.438 -3.967 -4.169 1.00 0.00 H new ATOM 0 HG22 VAL G 3 0.277 -5.008 -5.025 1.00 0.00 H new ATOM 0 HG23 VAL G 3 0.241 -3.246 -5.271 1.00 0.00 H new ATOM 436 N HIS G 4 -3.207 -1.965 -4.495 1.00 0.00 N ATOM 437 CA HIS G 4 -3.571 -0.825 -5.346 1.00 0.00 C ATOM 438 C HIS G 4 -3.221 0.481 -4.632 1.00 0.00 C ATOM 439 O HIS G 4 -3.614 0.675 -3.480 1.00 0.00 O ATOM 440 CB HIS G 4 -5.096 -0.869 -5.656 1.00 0.00 C ATOM 441 CG HIS G 4 -5.502 -2.186 -6.329 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.704 -2.850 -6.033 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.887 -2.970 -7.288 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.756 -3.959 -6.793 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.678 -4.083 -7.571 1.00 0.00 N ATOM 0 H HIS G 4 -3.696 -2.001 -3.600 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.015 -0.880 -6.282 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.659 -0.745 -4.731 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.360 -0.033 -6.304 1.00 0.00 H new ATOM 0 HD1 HIS G 4 -7.410 -2.546 -5.363 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.935 -2.752 -7.749 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.573 -4.665 -6.776 1.00 0.00 H new ATOM 452 N LEU G 5 -2.501 1.385 -5.309 1.00 0.00 N ATOM 453 CA LEU G 5 -2.141 2.676 -4.696 1.00 0.00 C ATOM 454 C LEU G 5 -2.443 3.831 -5.633 1.00 0.00 C ATOM 455 O LEU G 5 -1.852 3.950 -6.711 1.00 0.00 O ATOM 456 CB LEU G 5 -0.659 2.695 -4.298 1.00 0.00 C ATOM 457 CG LEU G 5 -0.363 1.544 -3.301 1.00 0.00 C ATOM 458 CD1 LEU G 5 0.063 0.269 -4.053 1.00 0.00 C ATOM 459 CD2 LEU G 5 0.760 1.967 -2.342 1.00 0.00 C ATOM 0 H LEU G 5 -2.161 1.254 -6.262 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.747 2.795 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.034 2.589 -5.185 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.408 3.654 -3.844 1.00 0.00 H new ATOM 0 HG LEU G 5 -1.272 1.333 -2.737 1.00 0.00 H new ATOM 0 HD11 LEU G 5 0.266 -0.526 -3.335 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -0.738 -0.043 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU G 5 0.963 0.472 -4.633 1.00 0.00 H new ATOM 0 HD21 LEU G 5 0.966 1.157 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU G 5 1.661 2.191 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU G 5 0.451 2.854 -1.789 1.00 0.00 H new ATOM 471 N GLN G 6 -3.353 4.704 -5.194 1.00 0.00 N ATOM 472 CA GLN G 6 -3.729 5.877 -5.975 1.00 0.00 C ATOM 473 C GLN G 6 -3.332 7.136 -5.222 1.00 0.00 C ATOM 474 O GLN G 6 -3.902 7.456 -4.179 1.00 0.00 O ATOM 475 CB GLN G 6 -5.239 5.863 -6.250 1.00 0.00 C ATOM 476 CG GLN G 6 -5.609 7.069 -7.116 1.00 0.00 C ATOM 477 CD GLN G 6 -7.112 7.119 -7.354 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.908 7.208 -6.408 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.548 7.061 -8.585 1.00 0.00 N ATOM 0 H GLN G 6 -3.841 4.618 -4.302 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.207 5.860 -6.932 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.519 4.939 -6.755 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.791 5.893 -5.311 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.282 7.987 -6.628 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.086 7.012 -8.071 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.886 6.988 -9.358 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.550 7.089 -8.773 1.00 0.00 H new ATOM 488 N ILE G 7 -2.342 7.841 -5.759 1.00 0.00 N ATOM 489 CA ILE G 7 -1.844 9.066 -5.144 1.00 0.00 C ATOM 490 C ILE G 7 -2.134 10.257 -6.049 1.00 0.00 C ATOM 491 O ILE G 7 -3.029 11.019 -5.728 1.00 0.00 O ATOM 492 CB ILE G 7 -0.333 8.947 -4.937 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.006 7.591 -4.283 1.00 0.00 C ATOM 494 CG2 ILE G 7 0.160 10.104 -4.064 1.00 0.00 C ATOM 495 CD1 ILE G 7 -0.735 7.436 -2.945 1.00 0.00 C ATOM 496 OXT ILE G 7 -1.455 10.386 -7.056 1.00 0.00 O ATOM 0 H ILE G 7 -1.866 7.583 -6.624 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.341 9.214 -4.185 1.00 0.00 H new ATOM 0 HB ILE G 7 0.175 8.999 -5.900 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.294 6.781 -4.954 1.00 0.00 H new ATOM 0 HG13 ILE G 7 1.070 7.509 -4.127 1.00 0.00 H new ATOM 0 HG21 ILE G 7 1.237 10.017 -3.918 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -0.064 11.051 -4.555 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -0.341 10.069 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE G 7 -0.486 6.470 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE G 7 -0.427 8.233 -2.268 1.00 0.00 H new ATOM 0 HD13 ILE G 7 -1.811 7.494 -3.108 1.00 0.00 H new ATOM 509 N ILE I 1 1.293 -11.697 -7.996 1.00 0.00 N ATOM 510 CA ILE I 1 0.794 -10.459 -7.332 1.00 0.00 C ATOM 511 C ILE I 1 0.658 -9.347 -8.364 1.00 0.00 C ATOM 512 O ILE I 1 1.436 -9.265 -9.324 1.00 0.00 O ATOM 513 CB ILE I 1 1.777 -10.043 -6.217 1.00 0.00 C ATOM 514 CG1 ILE I 1 1.682 -8.529 -5.949 1.00 0.00 C ATOM 515 CG2 ILE I 1 3.202 -10.387 -6.642 1.00 0.00 C ATOM 516 CD1 ILE I 1 2.301 -8.202 -4.599 1.00 0.00 C ATOM 0 H1 ILE I 1 1.594 -12.381 -7.273 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.533 -12.113 -8.571 1.00 0.00 H new ATOM 0 H3 ILE I 1 2.101 -11.462 -8.607 1.00 0.00 H new ATOM 0 HA ILE I 1 -0.184 -10.646 -6.888 1.00 0.00 H new ATOM 0 HB ILE I 1 1.518 -10.581 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE I 1 2.196 -7.979 -6.737 1.00 0.00 H new ATOM 0 HG13 ILE I 1 0.639 -8.213 -5.967 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.897 -10.094 -5.855 1.00 0.00 H new ATOM 0 HG22 ILE I 1 3.281 -11.460 -6.814 1.00 0.00 H new ATOM 0 HG23 ILE I 1 3.447 -9.853 -7.560 1.00 0.00 H new ATOM 0 HD11 ILE I 1 2.230 -7.130 -4.416 1.00 0.00 H new ATOM 0 HD12 ILE I 1 1.768 -8.740 -3.815 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.349 -8.502 -4.597 1.00 0.00 H new ATOM 530 N HIS I 2 -0.314 -8.462 -8.130 1.00 0.00 N ATOM 531 CA HIS I 2 -0.515 -7.330 -9.006 1.00 0.00 C ATOM 532 C HIS I 2 -0.200 -6.060 -8.233 1.00 0.00 C ATOM 533 O HIS I 2 -0.817 -5.801 -7.198 1.00 0.00 O ATOM 534 CB HIS I 2 -1.998 -7.325 -9.435 1.00 0.00 C ATOM 535 CG HIS I 2 -2.370 -6.007 -10.058 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.640 -5.424 -9.921 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.652 -5.154 -10.840 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.631 -4.276 -10.611 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.454 -4.055 -11.192 1.00 0.00 N ATOM 0 H HIS I 2 -0.964 -8.515 -7.345 1.00 0.00 H new ATOM 0 HA HIS I 2 0.129 -7.388 -9.883 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.178 -8.132 -10.145 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.632 -7.515 -8.569 1.00 0.00 H new ATOM 0 HD1 HIS I 2 -4.425 -5.805 -9.393 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.626 -5.300 -11.143 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.477 -3.609 -10.687 1.00 0.00 H new ATOM 0 HE2 HIS I 2 -2.190 -3.257 -11.770 1.00 0.00 H new ATOM 546 N VAL I 3 0.729 -5.250 -8.745 1.00 0.00 N ATOM 547 CA VAL I 3 1.063 -3.988 -8.086 1.00 0.00 C ATOM 548 C VAL I 3 0.741 -2.818 -8.987 1.00 0.00 C ATOM 549 O VAL I 3 1.310 -2.708 -10.073 1.00 0.00 O ATOM 550 CB VAL I 3 2.557 -3.964 -7.747 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.912 -2.637 -7.057 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.914 -5.153 -6.830 1.00 0.00 C ATOM 0 H VAL I 3 1.254 -5.441 -9.598 1.00 0.00 H new ATOM 0 HA VAL I 3 0.473 -3.907 -7.173 1.00 0.00 H new ATOM 0 HB VAL I 3 3.132 -4.051 -8.669 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.975 -2.624 -6.818 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.680 -1.807 -7.724 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.332 -2.538 -6.139 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.978 -5.125 -6.596 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.338 -5.087 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.679 -6.088 -7.338 1.00 0.00 H new ATOM 562 N HIS I 4 -0.136 -1.909 -8.527 1.00 0.00 N ATOM 563 CA HIS I 4 -0.463 -0.740 -9.302 1.00 0.00 C ATOM 564 C HIS I 4 -0.105 0.545 -8.568 1.00 0.00 C ATOM 565 O HIS I 4 -0.486 0.735 -7.409 1.00 0.00 O ATOM 566 CB HIS I 4 -1.956 -0.805 -9.666 1.00 0.00 C ATOM 567 CG HIS I 4 -2.229 0.044 -10.875 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.602 -0.470 -12.133 1.00 0.00 N ATOM 569 CD2 HIS I 4 -2.208 1.386 -11.012 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.788 0.579 -12.949 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.564 1.736 -12.316 1.00 0.00 N ATOM 0 H HIS I 4 -0.617 -1.976 -7.630 1.00 0.00 H new ATOM 0 HA HIS I 4 0.130 -0.728 -10.216 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.246 -1.837 -9.864 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.559 -0.460 -8.826 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.954 2.086 -10.229 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -3.081 0.499 -13.985 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.638 2.676 -12.704 1.00 0.00 H new ATOM 579 N LEU I 5 0.611 1.433 -9.262 1.00 0.00 N ATOM 580 CA LEU I 5 1.018 2.718 -8.691 1.00 0.00 C ATOM 581 C LEU I 5 0.582 3.852 -9.607 1.00 0.00 C ATOM 582 O LEU I 5 0.976 3.891 -10.774 1.00 0.00 O ATOM 583 CB LEU I 5 2.541 2.755 -8.577 1.00 0.00 C ATOM 584 CG LEU I 5 3.041 1.559 -7.763 1.00 0.00 C ATOM 585 CD1 LEU I 5 4.582 1.545 -7.759 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.507 1.654 -6.325 1.00 0.00 C ATOM 0 H LEU I 5 0.921 1.285 -10.222 1.00 0.00 H new ATOM 0 HA LEU I 5 0.556 2.834 -7.711 1.00 0.00 H new ATOM 0 HB2 LEU I 5 2.988 2.739 -9.571 1.00 0.00 H new ATOM 0 HB3 LEU I 5 2.855 3.684 -8.101 1.00 0.00 H new ATOM 0 HG LEU I 5 2.680 0.635 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU I 5 4.937 0.693 -7.179 1.00 0.00 H new ATOM 0 HD12 LEU I 5 4.948 1.465 -8.783 1.00 0.00 H new ATOM 0 HD13 LEU I 5 4.953 2.467 -7.312 1.00 0.00 H new ATOM 0 HD21 LEU I 5 2.864 0.802 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU I 5 2.860 2.577 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU I 5 1.417 1.651 -6.341 1.00 0.00 H new ATOM 598 N GLN I 6 -0.207 4.788 -9.082 1.00 0.00 N ATOM 599 CA GLN I 6 -0.657 5.932 -9.880 1.00 0.00 C ATOM 600 C GLN I 6 -0.301 7.225 -9.156 1.00 0.00 C ATOM 601 O GLN I 6 -0.898 7.557 -8.132 1.00 0.00 O ATOM 602 CB GLN I 6 -2.171 5.835 -10.119 1.00 0.00 C ATOM 603 CG GLN I 6 -2.605 6.947 -11.075 1.00 0.00 C ATOM 604 CD GLN I 6 -4.120 6.936 -11.287 1.00 0.00 C ATOM 605 OE1 GLN I 6 -4.905 6.880 -10.330 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.580 6.975 -12.508 1.00 0.00 N ATOM 0 H GLN I 6 -0.546 4.780 -8.120 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.158 5.927 -10.849 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.423 4.861 -10.538 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.706 5.923 -9.174 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.298 7.914 -10.675 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.100 6.824 -12.033 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.933 7.021 -13.295 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.586 6.959 -12.675 1.00 0.00 H new ATOM 615 N ILE I 7 0.694 7.945 -9.687 1.00 0.00 N ATOM 616 CA ILE I 7 1.151 9.197 -9.075 1.00 0.00 C ATOM 617 C ILE I 7 0.981 10.356 -10.050 1.00 0.00 C ATOM 618 O ILE I 7 0.330 11.321 -9.687 1.00 0.00 O ATOM 619 CB ILE I 7 2.626 9.072 -8.677 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.819 7.846 -7.786 1.00 0.00 C ATOM 621 CG2 ILE I 7 3.052 10.308 -7.883 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.317 7.624 -7.553 1.00 0.00 C ATOM 623 OXT ILE I 7 1.510 10.264 -11.147 1.00 0.00 O ATOM 0 H ILE I 7 1.196 7.683 -10.535 1.00 0.00 H new ATOM 0 HA ILE I 7 0.550 9.392 -8.187 1.00 0.00 H new ATOM 0 HB ILE I 7 3.225 8.978 -9.583 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.308 7.989 -6.834 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.378 6.967 -8.256 1.00 0.00 H new ATOM 0 HG21 ILE I 7 4.101 10.216 -7.602 1.00 0.00 H new ATOM 0 HG22 ILE I 7 2.918 11.199 -8.497 1.00 0.00 H new ATOM 0 HG23 ILE I 7 2.441 10.391 -6.984 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.461 6.750 -6.918 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.814 7.463 -8.510 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.743 8.501 -7.066 1.00 0.00 H new ATOM 636 N ILE K 1 4.076 -11.843 -11.777 1.00 0.00 N ATOM 637 CA ILE K 1 4.163 -10.549 -11.041 1.00 0.00 C ATOM 638 C ILE K 1 4.014 -9.403 -12.028 1.00 0.00 C ATOM 639 O ILE K 1 4.886 -9.199 -12.873 1.00 0.00 O ATOM 640 CB ILE K 1 5.533 -10.445 -10.357 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.674 -11.582 -9.341 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.656 -9.091 -9.651 1.00 0.00 C ATOM 643 CD1 ILE K 1 7.120 -11.652 -8.850 1.00 0.00 C ATOM 0 H1 ILE K 1 3.496 -12.513 -11.233 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.640 -11.684 -12.708 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.031 -12.235 -11.904 1.00 0.00 H new ATOM 0 HA ILE K 1 3.372 -10.500 -10.292 1.00 0.00 H new ATOM 0 HB ILE K 1 6.324 -10.526 -11.102 1.00 0.00 H new ATOM 0 HG12 ILE K 1 5.001 -11.417 -8.500 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.388 -12.529 -9.798 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.630 -9.020 -9.166 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.556 -8.289 -10.382 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.870 -8.999 -8.901 1.00 0.00 H new ATOM 0 HD11 ILE K 1 7.220 -12.461 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.783 -11.837 -9.695 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.390 -10.708 -8.377 1.00 0.00 H new ATOM 657 N HIS K 2 2.927 -8.632 -11.915 1.00 0.00 N ATOM 658 CA HIS K 2 2.735 -7.491 -12.818 1.00 0.00 C ATOM 659 C HIS K 2 2.930 -6.198 -12.034 1.00 0.00 C ATOM 660 O HIS K 2 2.241 -5.960 -11.043 1.00 0.00 O ATOM 661 CB HIS K 2 1.301 -7.519 -13.399 1.00 0.00 C ATOM 662 CG HIS K 2 1.248 -8.350 -14.659 1.00 0.00 C ATOM 663 ND1 HIS K 2 0.931 -7.801 -15.896 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.449 -9.690 -14.887 1.00 0.00 C ATOM 665 CE1 HIS K 2 0.951 -8.798 -16.798 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.261 -9.970 -16.236 1.00 0.00 N ATOM 0 H HIS K 2 2.186 -8.770 -11.228 1.00 0.00 H new ATOM 0 HA HIS K 2 3.457 -7.548 -13.633 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.612 -7.928 -12.660 1.00 0.00 H new ATOM 0 HB3 HIS K 2 0.971 -6.503 -13.614 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.713 -10.416 -14.132 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.742 -8.667 -17.849 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.342 -10.876 -16.698 1.00 0.00 H new ATOM 674 N VAL K 3 3.842 -5.345 -12.509 1.00 0.00 N ATOM 675 CA VAL K 3 4.078 -4.051 -11.864 1.00 0.00 C ATOM 676 C VAL K 3 3.684 -2.931 -12.820 1.00 0.00 C ATOM 677 O VAL K 3 4.183 -2.870 -13.943 1.00 0.00 O ATOM 678 CB VAL K 3 5.561 -3.929 -11.480 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.914 -5.011 -10.451 1.00 0.00 C ATOM 680 CG2 VAL K 3 6.439 -4.110 -12.724 1.00 0.00 C ATOM 0 H VAL K 3 4.423 -5.524 -13.328 1.00 0.00 H new ATOM 0 HA VAL K 3 3.475 -3.974 -10.960 1.00 0.00 H new ATOM 0 HB VAL K 3 5.739 -2.942 -11.053 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.966 -4.925 -10.179 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.297 -4.882 -9.562 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.730 -5.996 -10.881 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.489 -4.022 -12.444 1.00 0.00 H new ATOM 0 HG22 VAL K 3 6.260 -5.095 -13.156 1.00 0.00 H new ATOM 0 HG23 VAL K 3 6.194 -3.342 -13.457 1.00 0.00 H new ATOM 690 N HIS K 4 2.801 -2.030 -12.376 1.00 0.00 N ATOM 691 CA HIS K 4 2.375 -0.899 -13.220 1.00 0.00 C ATOM 692 C HIS K 4 2.755 0.422 -12.544 1.00 0.00 C ATOM 693 O HIS K 4 2.433 0.629 -11.373 1.00 0.00 O ATOM 694 CB HIS K 4 0.839 -0.961 -13.462 1.00 0.00 C ATOM 695 CG HIS K 4 0.419 -2.285 -14.107 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.765 -2.956 -13.760 1.00 0.00 N ATOM 697 CD2 HIS K 4 1.005 -3.072 -15.081 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.835 -4.073 -14.507 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.213 -4.193 -15.325 1.00 0.00 N ATOM 0 H HIS K 4 2.371 -2.057 -11.452 1.00 0.00 H new ATOM 0 HA HIS K 4 2.880 -0.961 -14.184 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.316 -0.836 -12.514 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.538 -0.132 -14.103 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.938 -2.851 -15.579 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.643 -4.787 -14.451 1.00 0.00 H new ATOM 0 HE2 HIS K 4 0.396 -4.946 -15.988 1.00 0.00 H new ATOM 706 N LEU K 5 3.420 1.322 -13.280 1.00 0.00 N ATOM 707 CA LEU K 5 3.813 2.627 -12.717 1.00 0.00 C ATOM 708 C LEU K 5 3.453 3.757 -13.666 1.00 0.00 C ATOM 709 O LEU K 5 3.966 3.831 -14.783 1.00 0.00 O ATOM 710 CB LEU K 5 5.320 2.648 -12.420 1.00 0.00 C ATOM 711 CG LEU K 5 5.681 1.516 -11.423 1.00 0.00 C ATOM 712 CD1 LEU K 5 6.077 0.234 -12.179 1.00 0.00 C ATOM 713 CD2 LEU K 5 6.854 1.960 -10.535 1.00 0.00 C ATOM 0 H LEU K 5 3.695 1.178 -14.252 1.00 0.00 H new ATOM 0 HA LEU K 5 3.266 2.773 -11.786 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.883 2.522 -13.345 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.603 3.615 -12.003 1.00 0.00 H new ATOM 0 HG LEU K 5 4.807 1.309 -10.806 1.00 0.00 H new ATOM 0 HD11 LEU K 5 6.327 -0.548 -11.462 1.00 0.00 H new ATOM 0 HD12 LEU K 5 5.243 -0.095 -12.799 1.00 0.00 H new ATOM 0 HD13 LEU K 5 6.942 0.437 -12.811 1.00 0.00 H new ATOM 0 HD21 LEU K 5 7.104 1.162 -9.836 1.00 0.00 H new ATOM 0 HD22 LEU K 5 7.720 2.180 -11.159 1.00 0.00 H new ATOM 0 HD23 LEU K 5 6.571 2.854 -9.979 1.00 0.00 H new ATOM 725 N GLN K 6 2.582 4.655 -13.200 1.00 0.00 N ATOM 726 CA GLN K 6 2.168 5.806 -14.000 1.00 0.00 C ATOM 727 C GLN K 6 2.597 7.083 -13.292 1.00 0.00 C ATOM 728 O GLN K 6 2.024 7.462 -12.271 1.00 0.00 O ATOM 729 CB GLN K 6 0.642 5.787 -14.201 1.00 0.00 C ATOM 730 CG GLN K 6 0.221 6.950 -15.112 1.00 0.00 C ATOM 731 CD GLN K 6 -1.303 7.001 -15.258 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.031 7.150 -14.275 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.830 6.888 -16.445 1.00 0.00 N ATOM 0 H GLN K 6 2.152 4.606 -12.276 1.00 0.00 H new ATOM 0 HA GLN K 6 2.642 5.762 -14.981 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.336 4.838 -14.643 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.138 5.867 -13.238 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.583 7.891 -14.699 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.681 6.835 -16.093 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.229 6.765 -17.260 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.843 6.923 -16.559 1.00 0.00 H new ATOM 742 N ILE K 7 3.618 7.735 -13.841 1.00 0.00 N ATOM 743 CA ILE K 7 4.145 8.968 -13.262 1.00 0.00 C ATOM 744 C ILE K 7 3.806 10.147 -14.167 1.00 0.00 C ATOM 745 O ILE K 7 2.897 10.887 -13.831 1.00 0.00 O ATOM 746 CB ILE K 7 5.671 8.855 -13.116 1.00 0.00 C ATOM 747 CG1 ILE K 7 6.030 7.526 -12.439 1.00 0.00 C ATOM 748 CG2 ILE K 7 6.203 10.024 -12.287 1.00 0.00 C ATOM 749 CD1 ILE K 7 5.294 7.391 -11.102 1.00 0.00 C ATOM 750 OXT ILE K 7 4.459 10.289 -15.188 1.00 0.00 O ATOM 0 H ILE K 7 4.098 7.430 -14.688 1.00 0.00 H new ATOM 0 HA ILE K 7 3.696 9.126 -12.281 1.00 0.00 H new ATOM 0 HB ILE K 7 6.128 8.886 -14.105 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.765 6.695 -13.092 1.00 0.00 H new ATOM 0 HG13 ILE K 7 7.106 7.473 -12.276 1.00 0.00 H new ATOM 0 HG21 ILE K 7 7.285 9.937 -12.188 1.00 0.00 H new ATOM 0 HG22 ILE K 7 5.958 10.963 -12.783 1.00 0.00 H new ATOM 0 HG23 ILE K 7 5.745 10.007 -11.298 1.00 0.00 H new ATOM 0 HD11 ILE K 7 5.560 6.443 -10.635 1.00 0.00 H new ATOM 0 HD12 ILE K 7 5.580 8.212 -10.445 1.00 0.00 H new ATOM 0 HD13 ILE K 7 4.218 7.422 -11.274 1.00 0.00 H new ATOM 763 N ILE O 1 -4.385 11.389 13.032 1.00 0.00 N ATOM 764 CA ILE O 1 -4.848 10.113 13.645 1.00 0.00 C ATOM 765 C ILE O 1 -3.890 8.980 13.279 1.00 0.00 C ATOM 766 O ILE O 1 -3.331 8.933 12.173 1.00 0.00 O ATOM 767 CB ILE O 1 -6.279 9.794 13.160 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.614 8.317 13.416 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.396 10.098 11.672 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.122 8.096 13.285 1.00 0.00 C ATOM 0 H1 ILE O 1 -5.164 12.078 13.034 1.00 0.00 H new ATOM 0 H2 ILE O 1 -3.586 11.768 13.580 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.081 11.214 12.053 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.860 10.216 14.730 1.00 0.00 H new ATOM 0 HB ILE O 1 -6.984 10.414 13.714 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -6.082 7.686 12.705 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.280 8.026 14.412 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.407 9.872 11.333 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.182 11.153 11.498 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -5.683 9.487 11.119 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.353 7.047 13.468 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -8.645 8.715 14.014 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.444 8.369 12.280 1.00 0.00 H new ATOM 784 N HIS O 2 -3.729 8.053 14.221 1.00 0.00 N ATOM 785 CA HIS O 2 -2.889 6.908 14.018 1.00 0.00 C ATOM 786 C HIS O 2 -3.774 5.671 14.003 1.00 0.00 C ATOM 787 O HIS O 2 -4.477 5.402 14.978 1.00 0.00 O ATOM 788 CB HIS O 2 -1.918 6.860 15.216 1.00 0.00 C ATOM 789 CG HIS O 2 -1.270 5.514 15.351 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.886 4.982 16.587 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.898 4.599 14.415 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.309 3.796 16.352 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.283 3.508 15.051 1.00 0.00 N ATOM 0 H HIS O 2 -4.180 8.087 15.135 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.334 6.956 13.081 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.150 7.623 15.092 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.458 7.097 16.132 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.021 5.417 17.500 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -1.051 4.696 13.350 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.087 3.152 17.123 1.00 0.00 H new ATOM 800 N VAL O 3 -3.719 4.904 12.917 1.00 0.00 N ATOM 801 CA VAL O 3 -4.509 3.677 12.825 1.00 0.00 C ATOM 802 C VAL O 3 -3.587 2.478 12.688 1.00 0.00 C ATOM 803 O VAL O 3 -2.802 2.413 11.741 1.00 0.00 O ATOM 804 CB VAL O 3 -5.436 3.747 11.613 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.282 2.474 11.554 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.347 4.983 11.717 1.00 0.00 C ATOM 0 H VAL O 3 -3.145 5.105 12.099 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.106 3.572 13.731 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.841 3.830 10.704 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.946 2.518 10.691 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.628 1.606 11.465 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.876 2.389 12.464 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -7.004 5.025 10.849 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.948 4.917 12.624 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.735 5.884 11.752 1.00 0.00 H new ATOM 816 N HIS O 4 -3.690 1.516 13.612 1.00 0.00 N ATOM 817 CA HIS O 4 -2.872 0.327 13.554 1.00 0.00 C ATOM 818 C HIS O 4 -3.720 -0.933 13.411 1.00 0.00 C ATOM 819 O HIS O 4 -4.677 -1.135 14.158 1.00 0.00 O ATOM 820 CB HIS O 4 -2.000 0.287 14.820 1.00 0.00 C ATOM 821 CG HIS O 4 -0.793 -0.576 14.586 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.527 -0.088 14.557 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.703 -1.908 14.385 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.333 -1.139 14.343 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.636 -2.276 14.234 1.00 0.00 N ATOM 0 H HIS O 4 -4.334 1.549 14.402 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.235 0.360 12.670 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.689 1.296 15.089 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.579 -0.102 15.658 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.541 -2.588 14.347 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.409 -1.075 14.268 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.005 -3.214 14.074 1.00 0.00 H new ATOM 833 N LEU O 5 -3.351 -1.784 12.455 1.00 0.00 N ATOM 834 CA LEU O 5 -4.069 -3.038 12.216 1.00 0.00 C ATOM 835 C LEU O 5 -3.095 -4.207 12.232 1.00 0.00 C ATOM 836 O LEU O 5 -2.142 -4.234 11.455 1.00 0.00 O ATOM 837 CB LEU O 5 -4.735 -2.972 10.849 1.00 0.00 C ATOM 838 CG LEU O 5 -5.678 -1.767 10.786 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.231 -1.641 9.361 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.834 -1.948 11.792 1.00 0.00 C ATOM 0 H LEU O 5 -2.558 -1.629 11.832 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.816 -3.180 12.997 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -3.977 -2.893 10.069 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -5.291 -3.890 10.661 1.00 0.00 H new ATOM 0 HG LEU O 5 -5.133 -0.860 11.047 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -6.904 -0.785 9.306 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -5.407 -1.500 8.662 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -6.776 -2.548 9.101 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -7.500 -1.086 11.740 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -7.391 -2.852 11.547 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -6.429 -2.033 12.800 1.00 0.00 H new ATOM 852 N GLN O 6 -3.348 -5.186 13.096 1.00 0.00 N ATOM 853 CA GLN O 6 -2.492 -6.370 13.177 1.00 0.00 C ATOM 854 C GLN O 6 -3.366 -7.613 13.063 1.00 0.00 C ATOM 855 O GLN O 6 -4.114 -7.942 13.983 1.00 0.00 O ATOM 856 CB GLN O 6 -1.729 -6.379 14.504 1.00 0.00 C ATOM 857 CG GLN O 6 -0.744 -7.552 14.523 1.00 0.00 C ATOM 858 CD GLN O 6 -0.045 -7.631 15.876 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.703 -7.750 16.911 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.258 -7.581 15.927 1.00 0.00 N ATOM 0 H GLN O 6 -4.133 -5.185 13.747 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.765 -6.356 12.365 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.193 -5.439 14.633 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.428 -6.464 15.336 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.273 -8.484 14.324 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.006 -7.429 13.731 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.799 -7.482 15.068 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.736 -7.641 16.826 1.00 0.00 H new ATOM 869 N ILE O 7 -3.280 -8.291 11.918 1.00 0.00 N ATOM 870 CA ILE O 7 -4.083 -9.492 11.674 1.00 0.00 C ATOM 871 C ILE O 7 -3.167 -10.674 11.383 1.00 0.00 C ATOM 872 O ILE O 7 -3.247 -11.654 12.104 1.00 0.00 O ATOM 873 CB ILE O 7 -5.013 -9.251 10.478 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.869 -8.006 10.727 1.00 0.00 C ATOM 875 CG2 ILE O 7 -5.945 -10.449 10.288 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.622 -7.640 9.443 1.00 0.00 C ATOM 877 OXT ILE O 7 -2.399 -10.584 10.438 1.00 0.00 O ATOM 0 H ILE O 7 -2.665 -8.031 11.147 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.680 -9.713 12.559 1.00 0.00 H new ATOM 0 HB ILE O 7 -4.401 -9.112 9.587 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -6.576 -8.193 11.535 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -5.238 -7.174 11.041 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.601 -10.268 9.437 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -5.353 -11.346 10.105 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -6.546 -10.588 11.186 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -7.232 -6.754 9.619 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -5.906 -7.436 8.647 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.264 -8.470 9.149 1.00 0.00 H new ATOM 890 N ILE Q 1 -1.559 11.641 9.137 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.288 10.349 9.287 1.00 0.00 C ATOM 892 C ILE Q 1 -1.324 9.195 9.034 1.00 0.00 C ATOM 893 O ILE Q 1 -0.770 9.060 7.934 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.440 10.290 8.267 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.423 11.429 8.556 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -4.160 8.944 8.382 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.419 11.550 7.402 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.999 12.361 9.745 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.565 11.513 9.416 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.603 11.952 8.145 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.693 10.271 10.296 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.043 10.396 7.257 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.953 11.238 9.489 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.882 12.367 8.683 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.975 8.904 7.659 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.456 8.137 8.180 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.562 8.831 9.389 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -6.118 12.360 7.608 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.881 11.761 6.478 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.969 10.615 7.296 1.00 0.00 H new ATOM 911 N HIS Q 2 -1.123 8.345 10.044 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.243 7.185 9.861 1.00 0.00 C ATOM 913 C HIS Q 2 -1.091 5.917 9.911 1.00 0.00 C ATOM 914 O HIS Q 2 -1.749 5.657 10.918 1.00 0.00 O ATOM 915 CB HIS Q 2 0.818 7.145 10.985 1.00 0.00 C ATOM 916 CG HIS Q 2 2.027 7.974 10.613 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.294 7.417 10.490 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.185 9.314 10.352 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.144 8.409 10.166 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.520 9.585 10.071 1.00 0.00 N ATOM 0 H HIS Q 2 -1.542 8.431 10.970 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.267 7.257 8.900 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.386 7.520 11.913 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.121 6.114 11.169 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.392 10.047 10.363 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.203 8.270 10.003 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 3.933 10.489 9.842 1.00 0.00 H new ATOM 928 N VAL Q 3 -1.036 5.102 8.853 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.767 3.830 8.837 1.00 0.00 C ATOM 930 C VAL Q 3 -0.772 2.674 8.754 1.00 0.00 C ATOM 931 O VAL Q 3 0.065 2.626 7.839 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.748 3.801 7.656 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.768 4.937 7.800 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -1.977 3.977 6.358 1.00 0.00 C ATOM 0 H VAL Q 3 -0.501 5.296 8.007 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.344 3.727 9.756 1.00 0.00 H new ATOM 0 HB VAL Q 3 -3.273 2.846 7.646 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -4.462 4.912 6.960 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -4.321 4.813 8.731 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.247 5.894 7.812 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -2.670 3.957 5.517 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -1.453 4.932 6.373 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -1.254 3.168 6.252 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.864 1.733 9.695 1.00 0.00 N ATOM 945 CA HIS Q 4 0.036 0.572 9.704 1.00 0.00 C ATOM 946 C HIS Q 4 -0.779 -0.716 9.558 1.00 0.00 C ATOM 947 O HIS Q 4 -1.736 -0.923 10.305 1.00 0.00 O ATOM 948 CB HIS Q 4 0.843 0.546 11.034 1.00 0.00 C ATOM 949 CG HIS Q 4 1.615 1.852 11.265 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.716 2.452 12.529 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.337 2.673 10.419 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.463 3.564 12.397 1.00 0.00 C ATOM 953 NE2 HIS Q 4 2.865 3.749 11.137 1.00 0.00 N ATOM 0 H HIS Q 4 -1.544 1.748 10.455 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.731 0.647 8.868 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.162 0.375 11.868 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.542 -0.290 11.017 1.00 0.00 H new ATOM 0 HD1 HIS Q 4 1.298 2.107 13.393 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.473 2.507 9.360 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.708 4.228 13.213 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.399 -1.592 8.619 1.00 0.00 N ATOM 961 CA LEU Q 5 -1.120 -2.866 8.431 1.00 0.00 C ATOM 962 C LEU Q 5 -0.144 -4.032 8.358 1.00 0.00 C ATOM 963 O LEU Q 5 0.672 -4.124 7.435 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.980 -2.826 7.162 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.992 -1.653 7.236 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.388 -0.375 6.625 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -4.267 -2.027 6.466 1.00 0.00 C ATOM 0 H LEU Q 5 0.388 -1.450 7.986 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.774 -3.008 9.291 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -1.342 -2.711 6.286 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.514 -3.769 7.046 1.00 0.00 H new ATOM 0 HG LEU Q 5 -3.229 -1.465 8.283 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -3.114 0.436 6.687 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -1.488 -0.099 7.175 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -2.134 -0.556 5.581 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -4.978 -1.203 6.518 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -4.017 -2.226 5.424 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -4.711 -2.918 6.909 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.253 -4.935 9.331 1.00 0.00 N ATOM 980 CA GLN Q 6 0.599 -6.117 9.379 1.00 0.00 C ATOM 981 C GLN Q 6 -0.261 -7.357 9.196 1.00 0.00 C ATOM 982 O GLN Q 6 -1.088 -7.683 10.048 1.00 0.00 O ATOM 983 CB GLN Q 6 1.343 -6.177 10.721 1.00 0.00 C ATOM 984 CG GLN Q 6 2.276 -7.391 10.736 1.00 0.00 C ATOM 985 CD GLN Q 6 2.968 -7.514 12.088 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.310 -7.651 13.121 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.273 -7.472 12.138 1.00 0.00 N ATOM 0 H GLN Q 6 -0.924 -4.869 10.096 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.338 -6.068 8.579 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.917 -5.263 10.872 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.629 -6.244 11.542 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.707 -8.297 10.528 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 3.021 -7.294 9.947 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.813 -7.358 11.280 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.752 -7.553 13.035 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.064 -8.038 8.074 1.00 0.00 N ATOM 997 CA ILE Q 7 -0.827 -9.241 7.758 1.00 0.00 C ATOM 998 C ILE Q 7 0.109 -10.442 7.691 1.00 0.00 C ATOM 999 O ILE Q 7 0.066 -11.255 8.599 1.00 0.00 O ATOM 1000 CB ILE Q 7 -1.514 -9.063 6.401 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.210 -7.690 6.345 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -2.522 -10.199 6.189 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.253 -7.552 7.455 1.00 0.00 C ATOM 1004 OXT ILE Q 7 0.860 -10.529 6.734 1.00 0.00 O ATOM 0 H ILE Q 7 0.621 -7.777 7.364 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.575 -9.407 8.533 1.00 0.00 H new ATOM 0 HB ILE Q 7 -0.773 -9.101 5.603 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.467 -6.899 6.441 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -2.689 -7.562 5.374 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.013 -10.075 5.224 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -2.001 -11.156 6.211 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -3.270 -10.175 6.982 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -3.727 -6.573 7.389 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -4.009 -8.329 7.343 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -2.768 -7.656 8.425 1.00 0.00 H new ATOM 1017 N ILE S 1 1.165 11.582 4.777 1.00 0.00 N ATOM 1018 CA ILE S 1 0.687 10.317 5.403 1.00 0.00 C ATOM 1019 C ILE S 1 1.700 9.207 5.162 1.00 0.00 C ATOM 1020 O ILE S 1 2.369 9.157 4.121 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.682 9.931 4.806 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -0.935 8.419 4.951 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.714 10.298 3.328 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.416 8.132 4.761 1.00 0.00 C ATOM 0 H1 ILE S 1 0.374 12.253 4.703 1.00 0.00 H new ATOM 0 H2 ILE S 1 1.917 11.997 5.363 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.538 11.380 3.827 1.00 0.00 H new ATOM 0 HA ILE S 1 0.577 10.462 6.478 1.00 0.00 H new ATOM 0 HB ILE S 1 -1.458 10.473 5.346 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -0.350 7.869 4.214 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.611 8.078 5.934 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.681 10.025 2.906 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.559 11.371 3.216 1.00 0.00 H new ATOM 0 HG23 ILE S 1 0.075 9.761 2.803 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -2.595 7.062 4.864 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -2.991 8.670 5.515 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.725 8.458 3.768 1.00 0.00 H new ATOM 1038 N HIS S 2 1.775 8.292 6.129 1.00 0.00 N ATOM 1039 CA HIS S 2 2.661 7.159 6.012 1.00 0.00 C ATOM 1040 C HIS S 2 1.819 5.898 5.918 1.00 0.00 C ATOM 1041 O HIS S 2 1.031 5.615 6.821 1.00 0.00 O ATOM 1042 CB HIS S 2 3.528 7.118 7.286 1.00 0.00 C ATOM 1043 CG HIS S 2 4.221 5.792 7.425 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.481 5.188 8.664 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.742 4.954 6.487 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.135 4.045 8.425 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.324 3.846 7.124 1.00 0.00 N ATOM 0 H HIS S 2 1.232 8.322 6.992 1.00 0.00 H new ATOM 0 HA HIS S 2 3.294 7.234 5.128 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.268 7.917 7.252 1.00 0.00 H new ATOM 0 HB3 HIS S 2 2.904 7.299 8.161 1.00 0.00 H new ATOM 0 HD1 HIS S 2 4.219 5.553 9.580 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.712 5.116 5.420 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.469 3.366 9.196 1.00 0.00 H new ATOM 1054 N VAL S 3 2.010 5.122 4.852 1.00 0.00 N ATOM 1055 CA VAL S 3 1.273 3.869 4.699 1.00 0.00 C ATOM 1056 C VAL S 3 2.233 2.698 4.680 1.00 0.00 C ATOM 1057 O VAL S 3 3.092 2.628 3.800 1.00 0.00 O ATOM 1058 CB VAL S 3 0.490 3.889 3.384 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.288 2.573 3.230 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.482 5.087 3.360 1.00 0.00 C ATOM 0 H VAL S 3 2.658 5.334 4.093 1.00 0.00 H new ATOM 0 HA VAL S 3 0.587 3.763 5.539 1.00 0.00 H new ATOM 0 HB VAL S 3 1.188 3.993 2.553 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.846 2.587 2.294 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.410 1.736 3.224 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.981 2.461 4.063 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.033 5.090 2.419 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.183 5.004 4.191 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.082 6.015 3.453 1.00 0.00 H new ATOM 1070 N HIS S 4 2.072 1.754 5.618 1.00 0.00 N ATOM 1071 CA HIS S 4 2.917 0.584 5.647 1.00 0.00 C ATOM 1072 C HIS S 4 2.110 -0.697 5.479 1.00 0.00 C ATOM 1073 O HIS S 4 1.118 -0.910 6.178 1.00 0.00 O ATOM 1074 CB HIS S 4 3.710 0.596 6.963 1.00 0.00 C ATOM 1075 CG HIS S 4 4.949 -0.243 6.825 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.259 0.277 6.831 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.078 -1.579 6.701 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.097 -0.764 6.716 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.431 -1.921 6.637 1.00 0.00 N ATOM 0 H HIS S 4 1.367 1.790 6.354 1.00 0.00 H new ATOM 0 HA HIS S 4 3.610 0.610 4.806 1.00 0.00 H new ATOM 0 HB2 HIS S 4 3.981 1.619 7.224 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.090 0.213 7.774 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.258 -2.280 6.658 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.173 -0.679 6.690 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.828 -2.857 6.549 1.00 0.00 H new ATOM 1087 N LEU S 5 2.556 -1.554 4.559 1.00 0.00 N ATOM 1088 CA LEU S 5 1.886 -2.829 4.299 1.00 0.00 C ATOM 1089 C LEU S 5 2.888 -3.971 4.403 1.00 0.00 C ATOM 1090 O LEU S 5 3.887 -3.983 3.684 1.00 0.00 O ATOM 1091 CB LEU S 5 1.324 -2.814 2.880 1.00 0.00 C ATOM 1092 CG LEU S 5 0.382 -1.622 2.702 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.086 -1.555 1.237 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.826 -1.769 3.644 1.00 0.00 C ATOM 0 H LEU S 5 3.380 -1.388 3.981 1.00 0.00 H new ATOM 0 HA LEU S 5 1.088 -2.969 5.029 1.00 0.00 H new ATOM 0 HB2 LEU S 5 2.139 -2.755 2.158 1.00 0.00 H new ATOM 0 HB3 LEU S 5 0.789 -3.743 2.682 1.00 0.00 H new ATOM 0 HG LEU S 5 0.907 -0.700 2.950 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.757 -0.706 1.108 1.00 0.00 H new ATOM 0 HD12 LEU S 5 0.779 -1.436 0.584 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -0.611 -2.475 0.980 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -1.494 -0.918 3.514 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -1.361 -2.689 3.409 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -0.480 -1.804 4.677 1.00 0.00 H new ATOM 1106 N GLN S 6 2.614 -4.944 5.272 1.00 0.00 N ATOM 1107 CA GLN S 6 3.508 -6.098 5.417 1.00 0.00 C ATOM 1108 C GLN S 6 2.700 -7.379 5.268 1.00 0.00 C ATOM 1109 O GLN S 6 1.903 -7.724 6.139 1.00 0.00 O ATOM 1110 CB GLN S 6 4.200 -6.055 6.785 1.00 0.00 C ATOM 1111 CG GLN S 6 5.255 -7.164 6.856 1.00 0.00 C ATOM 1112 CD GLN S 6 5.900 -7.201 8.240 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.207 -7.202 9.259 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.201 -7.222 8.333 1.00 0.00 N ATOM 0 H GLN S 6 1.794 -4.960 5.879 1.00 0.00 H new ATOM 0 HA GLN S 6 4.275 -6.068 4.643 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.668 -5.082 6.938 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.466 -6.184 7.580 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.794 -8.127 6.637 1.00 0.00 H new ATOM 0 HG3 GLN S 6 6.019 -6.997 6.097 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.773 -7.221 7.488 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.647 -7.239 9.250 1.00 0.00 H new ATOM 1123 N ILE S 7 2.895 -8.071 4.143 1.00 0.00 N ATOM 1124 CA ILE S 7 2.159 -9.308 3.866 1.00 0.00 C ATOM 1125 C ILE S 7 3.132 -10.466 3.669 1.00 0.00 C ATOM 1126 O ILE S 7 3.011 -11.445 4.387 1.00 0.00 O ATOM 1127 CB ILE S 7 1.317 -9.130 2.598 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.416 -7.903 2.740 1.00 0.00 C ATOM 1129 CG2 ILE S 7 0.425 -10.354 2.392 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.262 -7.616 1.396 1.00 0.00 C ATOM 1131 OXT ILE S 7 3.984 -10.358 2.802 1.00 0.00 O ATOM 0 H ILE S 7 3.552 -7.798 3.412 1.00 0.00 H new ATOM 0 HA ILE S 7 1.508 -9.529 4.712 1.00 0.00 H new ATOM 0 HB ILE S 7 1.990 -9.006 1.750 1.00 0.00 H new ATOM 0 HG12 ILE S 7 -0.336 -8.076 3.510 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.003 -7.041 3.056 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.171 -10.222 1.489 1.00 0.00 H new ATOM 0 HG22 ILE S 7 1.046 -11.244 2.290 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.237 -10.470 3.250 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -0.906 -6.742 1.493 1.00 0.00 H new ATOM 0 HD12 ILE S 7 0.498 -7.425 0.638 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.861 -8.477 1.100 1.00 0.00 H new ATOM 1144 N ILE U 1 3.996 11.823 0.946 1.00 0.00 N ATOM 1145 CA ILE U 1 3.288 10.519 1.079 1.00 0.00 C ATOM 1146 C ILE U 1 4.286 9.382 0.884 1.00 0.00 C ATOM 1147 O ILE U 1 4.881 9.240 -0.193 1.00 0.00 O ATOM 1148 CB ILE U 1 2.191 10.428 0.008 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.177 11.558 0.231 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.486 9.069 0.101 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.234 11.642 -0.967 1.00 0.00 C ATOM 0 H1 ILE U 1 3.514 12.540 1.525 1.00 0.00 H new ATOM 0 H2 ILE U 1 4.979 11.719 1.271 1.00 0.00 H new ATOM 0 H3 ILE U 1 3.990 12.121 -0.050 1.00 0.00 H new ATOM 0 HA ILE U 1 2.838 10.442 2.069 1.00 0.00 H new ATOM 0 HB ILE U 1 2.636 10.527 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE U 1 0.608 11.375 1.143 1.00 0.00 H new ATOM 0 HG13 ILE U 1 1.697 12.506 0.365 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.709 9.009 -0.661 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.211 8.271 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.036 8.959 1.088 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.486 12.445 -0.808 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.810 11.845 -1.870 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.296 10.696 -1.080 1.00 0.00 H new ATOM 1165 N HIS U 2 4.471 8.555 1.919 1.00 0.00 N ATOM 1166 CA HIS U 2 5.387 7.415 1.792 1.00 0.00 C ATOM 1167 C HIS U 2 4.578 6.124 1.823 1.00 0.00 C ATOM 1168 O HIS U 2 3.876 5.857 2.799 1.00 0.00 O ATOM 1169 CB HIS U 2 6.396 7.419 2.965 1.00 0.00 C ATOM 1170 CG HIS U 2 7.601 8.272 2.637 1.00 0.00 C ATOM 1171 ND1 HIS U 2 8.884 7.745 2.559 1.00 0.00 N ATOM 1172 CD2 HIS U 2 7.737 9.617 2.383 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.722 8.757 2.272 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.076 9.918 2.154 1.00 0.00 N ATOM 0 H HIS U 2 4.015 8.647 2.827 1.00 0.00 H new ATOM 0 HA HIS U 2 5.934 7.489 0.852 1.00 0.00 H new ATOM 0 HB2 HIS U 2 5.912 7.797 3.865 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.715 6.399 3.179 1.00 0.00 H new ATOM 0 HD2 HIS U 2 6.927 10.331 2.364 1.00 0.00 H new ATOM 0 HE1 HIS U 2 10.789 8.643 2.152 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.478 10.831 1.941 1.00 0.00 H new ATOM 1182 N VAL U 3 4.716 5.295 0.783 1.00 0.00 N ATOM 1183 CA VAL U 3 4.030 4.000 0.751 1.00 0.00 C ATOM 1184 C VAL U 3 5.071 2.881 0.747 1.00 0.00 C ATOM 1185 O VAL U 3 5.958 2.849 -0.119 1.00 0.00 O ATOM 1186 CB VAL U 3 3.122 3.910 -0.483 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.052 5.005 -0.418 1.00 0.00 C ATOM 1188 CG2 VAL U 3 3.952 4.096 -1.740 1.00 0.00 C ATOM 0 H VAL U 3 5.289 5.494 -0.037 1.00 0.00 H new ATOM 0 HA VAL U 3 3.402 3.896 1.636 1.00 0.00 H new ATOM 0 HB VAL U 3 2.641 2.932 -0.503 1.00 0.00 H new ATOM 0 HG11 VAL U 3 1.409 4.938 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL U 3 1.452 4.874 0.482 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.533 5.983 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL U 3 3.306 4.032 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL U 3 4.435 5.073 -1.716 1.00 0.00 H new ATOM 0 HG23 VAL U 3 4.712 3.317 -1.792 1.00 0.00 H new ATOM 1198 N HIS U 4 4.961 1.957 1.701 1.00 0.00 N ATOM 1199 CA HIS U 4 5.901 0.831 1.784 1.00 0.00 C ATOM 1200 C HIS U 4 5.144 -0.485 1.614 1.00 0.00 C ATOM 1201 O HIS U 4 4.150 -0.714 2.305 1.00 0.00 O ATOM 1202 CB HIS U 4 6.626 0.855 3.161 1.00 0.00 C ATOM 1203 CG HIS U 4 7.353 2.184 3.401 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.370 2.823 4.652 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.100 2.997 2.572 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.097 3.948 4.525 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.564 4.105 3.284 1.00 0.00 N ATOM 0 H HIS U 4 4.240 1.962 2.422 1.00 0.00 H new ATOM 0 HA HIS U 4 6.643 0.919 0.990 1.00 0.00 H new ATOM 0 HB2 HIS U 4 5.900 0.690 3.957 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.343 0.035 3.208 1.00 0.00 H new ATOM 0 HD1 HIS U 4 6.914 2.494 5.503 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.296 2.805 1.528 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.281 4.642 5.332 1.00 0.00 H new ATOM 1214 N LEU U 5 5.610 -1.359 0.713 1.00 0.00 N ATOM 1215 CA LEU U 5 4.946 -2.658 0.506 1.00 0.00 C ATOM 1216 C LEU U 5 5.949 -3.797 0.507 1.00 0.00 C ATOM 1217 O LEU U 5 6.824 -3.876 -0.361 1.00 0.00 O ATOM 1218 CB LEU U 5 4.152 -2.661 -0.806 1.00 0.00 C ATOM 1219 CG LEU U 5 3.091 -1.531 -0.785 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.669 -0.230 -1.373 1.00 0.00 C ATOM 1221 CD2 LEU U 5 1.863 -1.957 -1.605 1.00 0.00 C ATOM 0 H LEU U 5 6.428 -1.198 0.125 1.00 0.00 H new ATOM 0 HA LEU U 5 4.256 -2.808 1.336 1.00 0.00 H new ATOM 0 HB2 LEU U 5 4.828 -2.521 -1.650 1.00 0.00 H new ATOM 0 HB3 LEU U 5 3.665 -3.626 -0.944 1.00 0.00 H new ATOM 0 HG LEU U 5 2.801 -1.351 0.250 1.00 0.00 H new ATOM 0 HD11 LEU U 5 2.908 0.550 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU U 5 4.530 0.085 -0.783 1.00 0.00 H new ATOM 0 HD13 LEU U 5 3.979 -0.403 -2.404 1.00 0.00 H new ATOM 0 HD21 LEU U 5 1.120 -1.160 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU U 5 2.163 -2.151 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU U 5 1.434 -2.862 -1.175 1.00 0.00 H new ATOM 1233 N GLN U 6 5.797 -4.697 1.482 1.00 0.00 N ATOM 1234 CA GLN U 6 6.672 -5.856 1.594 1.00 0.00 C ATOM 1235 C GLN U 6 5.861 -7.126 1.393 1.00 0.00 C ATOM 1236 O GLN U 6 5.026 -7.484 2.223 1.00 0.00 O ATOM 1237 CB GLN U 6 7.358 -5.866 2.967 1.00 0.00 C ATOM 1238 CG GLN U 6 8.319 -7.054 3.050 1.00 0.00 C ATOM 1239 CD GLN U 6 8.968 -7.129 4.425 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.283 -7.266 5.446 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.270 -7.039 4.506 1.00 0.00 N ATOM 0 H GLN U 6 5.076 -4.641 2.202 1.00 0.00 H new ATOM 0 HA GLN U 6 7.443 -5.804 0.825 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.902 -4.934 3.120 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.611 -5.933 3.758 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.779 -7.979 2.847 1.00 0.00 H new ATOM 0 HG3 GLN U 6 9.089 -6.959 2.284 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.827 -6.926 3.659 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.729 -7.082 5.416 1.00 0.00 H new ATOM 1250 N ILE U 7 6.115 -7.799 0.275 1.00 0.00 N ATOM 1251 CA ILE U 7 5.410 -9.029 -0.062 1.00 0.00 C ATOM 1252 C ILE U 7 6.383 -10.201 -0.063 1.00 0.00 C ATOM 1253 O ILE U 7 6.331 -10.992 0.863 1.00 0.00 O ATOM 1254 CB ILE U 7 4.790 -8.888 -1.454 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.044 -7.544 -1.553 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.839 -10.061 -1.715 1.00 0.00 C ATOM 1257 CD1 ILE U 7 2.959 -7.436 -0.477 1.00 0.00 C ATOM 1258 OXT ILE U 7 7.169 -10.288 -0.992 1.00 0.00 O ATOM 0 H ILE U 7 6.808 -7.510 -0.416 1.00 0.00 H new ATOM 0 HA ILE U 7 4.629 -9.210 0.677 1.00 0.00 H new ATOM 0 HB ILE U 7 5.574 -8.905 -2.211 1.00 0.00 H new ATOM 0 HG12 ILE U 7 4.752 -6.722 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE U 7 3.593 -7.447 -2.540 1.00 0.00 H new ATOM 0 HG21 ILE U 7 3.399 -9.959 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE U 7 4.393 -10.998 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE U 7 3.048 -10.062 -0.965 1.00 0.00 H new ATOM 0 HD11 ILE U 7 2.448 -6.478 -0.570 1.00 0.00 H new ATOM 0 HD12 ILE U 7 2.239 -8.245 -0.604 1.00 0.00 H new ATOM 0 HD13 ILE U 7 3.416 -7.509 0.510 1.00 0.00 H new ATOM 1271 N ILE W 1 6.899 11.855 -3.329 1.00 0.00 N ATOM 1272 CA ILE W 1 6.418 10.589 -2.705 1.00 0.00 C ATOM 1273 C ILE W 1 7.465 9.498 -2.884 1.00 0.00 C ATOM 1274 O ILE W 1 8.179 9.449 -3.896 1.00 0.00 O ATOM 1275 CB ILE W 1 5.086 10.164 -3.360 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.872 8.643 -3.222 1.00 0.00 C ATOM 1277 CG2 ILE W 1 5.115 10.525 -4.840 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.407 8.305 -3.456 1.00 0.00 C ATOM 0 H1 ILE W 1 6.099 12.509 -3.449 1.00 0.00 H new ATOM 0 H2 ILE W 1 7.616 12.294 -2.716 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.318 11.647 -4.258 1.00 0.00 H new ATOM 0 HA ILE W 1 6.254 10.747 -1.639 1.00 0.00 H new ATOM 0 HB ILE W 1 4.271 10.684 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE W 1 5.496 8.112 -3.941 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.177 8.312 -2.229 1.00 0.00 H new ATOM 0 HG21 ILE W 1 4.176 10.226 -5.306 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.248 11.601 -4.949 1.00 0.00 H new ATOM 0 HG23 ILE W 1 5.942 10.006 -5.325 1.00 0.00 H new ATOM 0 HD11 ILE W 1 3.262 7.229 -3.357 1.00 0.00 H new ATOM 0 HD12 ILE W 1 2.792 8.823 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE W 1 3.117 8.620 -4.458 1.00 0.00 H new ATOM 1292 N HIS W 2 7.520 8.592 -1.906 1.00 0.00 N ATOM 1293 CA HIS W 2 8.436 7.478 -1.979 1.00 0.00 C ATOM 1294 C HIS W 2 7.630 6.195 -2.102 1.00 0.00 C ATOM 1295 O HIS W 2 6.809 5.899 -1.233 1.00 0.00 O ATOM 1296 CB HIS W 2 9.264 7.447 -0.677 1.00 0.00 C ATOM 1297 CG HIS W 2 10.002 6.142 -0.560 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.269 5.508 0.664 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.550 5.348 -1.519 1.00 0.00 C ATOM 1300 CE1 HIS W 2 10.953 4.386 0.391 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.155 4.238 -0.922 1.00 0.00 N ATOM 0 H HIS W 2 6.942 8.616 -1.066 1.00 0.00 H new ATOM 0 HA HIS W 2 9.099 7.576 -2.838 1.00 0.00 H new ATOM 0 HB2 HIS W 2 9.972 8.275 -0.668 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.608 7.580 0.183 1.00 0.00 H new ATOM 0 HD1 HIS W 2 9.994 5.839 1.589 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.522 5.545 -2.580 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.298 3.689 1.140 1.00 0.00 H new ATOM 0 HE2 HIS W 2 11.647 3.476 -1.390 1.00 0.00 H new ATOM 1308 N VAL W 3 7.887 5.413 -3.153 1.00 0.00 N ATOM 1309 CA VAL W 3 7.189 4.140 -3.324 1.00 0.00 C ATOM 1310 C VAL W 3 8.170 2.988 -3.285 1.00 0.00 C ATOM 1311 O VAL W 3 9.068 2.919 -4.125 1.00 0.00 O ATOM 1312 CB VAL W 3 6.459 4.131 -4.672 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.724 2.793 -4.853 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.455 5.302 -4.738 1.00 0.00 C ATOM 0 H VAL W 3 8.561 5.634 -3.886 1.00 0.00 H new ATOM 0 HA VAL W 3 6.472 4.025 -2.511 1.00 0.00 H new ATOM 0 HB VAL W 3 7.187 4.249 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.206 2.789 -5.812 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.445 1.976 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL W 3 5.000 2.664 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.941 5.287 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.725 5.201 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL W 3 5.989 6.246 -4.626 1.00 0.00 H new ATOM 1324 N HIS W 4 7.981 2.053 -2.340 1.00 0.00 N ATOM 1325 CA HIS W 4 8.844 0.897 -2.260 1.00 0.00 C ATOM 1326 C HIS W 4 8.063 -0.399 -2.443 1.00 0.00 C ATOM 1327 O HIS W 4 7.054 -0.624 -1.773 1.00 0.00 O ATOM 1328 CB HIS W 4 9.589 0.941 -0.913 1.00 0.00 C ATOM 1329 CG HIS W 4 10.844 0.117 -0.994 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.143 0.647 -0.873 1.00 0.00 N ATOM 1331 CD2 HIS W 4 10.998 -1.214 -1.176 1.00 0.00 C ATOM 1332 CE1 HIS W 4 12.999 -0.381 -0.985 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.355 -1.539 -1.167 1.00 0.00 N ATOM 0 H HIS W 4 7.244 2.087 -1.636 1.00 0.00 H new ATOM 0 HA HIS W 4 9.571 0.922 -3.072 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.836 1.972 -0.658 1.00 0.00 H new ATOM 0 HB3 HIS W 4 8.945 0.562 -0.119 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.191 -1.920 -1.309 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.074 -0.285 -0.934 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.769 -2.465 -1.276 1.00 0.00 H new ATOM 1341 N LEU W 5 8.556 -1.256 -3.341 1.00 0.00 N ATOM 1342 CA LEU W 5 7.921 -2.547 -3.618 1.00 0.00 C ATOM 1343 C LEU W 5 8.941 -3.669 -3.478 1.00 0.00 C ATOM 1344 O LEU W 5 9.953 -3.680 -4.183 1.00 0.00 O ATOM 1345 CB LEU W 5 7.402 -2.552 -5.053 1.00 0.00 C ATOM 1346 CG LEU W 5 6.450 -1.377 -5.279 1.00 0.00 C ATOM 1347 CD1 LEU W 5 6.028 -1.339 -6.761 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.216 -1.528 -4.372 1.00 0.00 C ATOM 0 H LEU W 5 9.397 -1.078 -3.891 1.00 0.00 H new ATOM 0 HA LEU W 5 7.104 -2.698 -2.912 1.00 0.00 H new ATOM 0 HB2 LEU W 5 8.238 -2.490 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU W 5 6.887 -3.491 -5.257 1.00 0.00 H new ATOM 0 HG LEU W 5 6.953 -0.443 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.349 -0.502 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.911 -1.218 -7.388 1.00 0.00 H new ATOM 0 HD13 LEU W 5 5.525 -2.270 -7.020 1.00 0.00 H new ATOM 0 HD21 LEU W 5 4.540 -0.689 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU W 5 4.702 -2.460 -4.609 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.531 -1.542 -3.329 1.00 0.00 H new ATOM 1360 N GLN W 6 8.668 -4.626 -2.593 1.00 0.00 N ATOM 1361 CA GLN W 6 9.577 -5.759 -2.405 1.00 0.00 C ATOM 1362 C GLN W 6 8.804 -7.062 -2.579 1.00 0.00 C ATOM 1363 O GLN W 6 7.983 -7.423 -1.738 1.00 0.00 O ATOM 1364 CB GLN W 6 10.213 -5.682 -1.009 1.00 0.00 C ATOM 1365 CG GLN W 6 11.296 -6.751 -0.892 1.00 0.00 C ATOM 1366 CD GLN W 6 11.910 -6.767 0.509 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.202 -6.718 1.520 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.208 -6.830 0.625 1.00 0.00 N ATOM 0 H GLN W 6 7.837 -4.642 -2.001 1.00 0.00 H new ATOM 0 HA GLN W 6 10.373 -5.725 -3.149 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.642 -4.693 -0.846 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.454 -5.831 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.871 -7.729 -1.116 1.00 0.00 H new ATOM 0 HG3 GLN W 6 12.075 -6.565 -1.631 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.793 -6.871 -0.209 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.638 -6.839 1.550 1.00 0.00 H new ATOM 1377 N ILE W 7 9.058 -7.756 -3.695 1.00 0.00 N ATOM 1378 CA ILE W 7 8.364 -9.014 -3.994 1.00 0.00 C ATOM 1379 C ILE W 7 9.368 -10.153 -4.136 1.00 0.00 C ATOM 1380 O ILE W 7 9.210 -11.145 -3.444 1.00 0.00 O ATOM 1381 CB ILE W 7 7.567 -8.870 -5.296 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.636 -7.663 -5.200 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.707 -10.114 -5.517 1.00 0.00 C ATOM 1384 CD1 ILE W 7 5.994 -7.417 -6.568 1.00 0.00 C ATOM 1385 OXT ILE W 7 10.277 -10.019 -4.939 1.00 0.00 O ATOM 0 H ILE W 7 9.735 -7.470 -4.402 1.00 0.00 H new ATOM 0 HA ILE W 7 7.684 -9.241 -3.173 1.00 0.00 H new ATOM 0 HB ILE W 7 8.268 -8.744 -6.121 1.00 0.00 H new ATOM 0 HG12 ILE W 7 5.866 -7.841 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.194 -6.782 -4.882 1.00 0.00 H new ATOM 0 HG21 ILE W 7 6.143 -10.006 -6.443 1.00 0.00 H new ATOM 0 HG22 ILE W 7 7.348 -10.993 -5.583 1.00 0.00 H new ATOM 0 HG23 ILE W 7 6.016 -10.231 -4.683 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.328 -6.557 -6.508 1.00 0.00 H new ATOM 0 HD12 ILE W 7 6.773 -7.222 -7.306 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.424 -8.297 -6.866 1.00 0.00 H new ATOM 1398 N ILE Y 1 9.865 11.858 -6.970 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.148 10.553 -6.904 1.00 0.00 C ATOM 1400 C ILE Y 1 10.156 9.425 -7.035 1.00 0.00 C ATOM 1401 O ILE Y 1 10.760 9.257 -8.095 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.144 10.463 -8.062 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.133 11.606 -7.935 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.422 9.113 -8.012 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.281 11.681 -9.200 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.324 12.578 -6.450 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.808 11.758 -6.543 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.964 12.150 -7.963 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.621 10.473 -5.953 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.667 10.547 -9.015 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.496 11.446 -7.065 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.655 12.550 -7.779 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.710 9.051 -8.835 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.151 8.307 -8.101 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 6.891 9.019 -7.065 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.562 12.495 -9.107 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.924 11.861 -10.062 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.748 10.740 -9.336 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.331 8.630 -5.974 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.272 7.504 -6.044 1.00 0.00 C ATOM 1421 C HIS Y 2 10.487 6.198 -6.084 1.00 0.00 C ATOM 1422 O HIS Y 2 9.701 5.919 -5.180 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.186 7.504 -4.797 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.406 8.363 -5.023 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.693 7.835 -5.016 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.556 9.710 -5.243 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.548 8.854 -5.224 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 14.908 10.017 -5.369 1.00 0.00 N ATOM 0 H HIS Y 2 9.850 8.738 -5.081 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.883 7.602 -6.941 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.631 7.873 -3.935 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.492 6.484 -4.566 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.748 10.423 -5.308 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.621 8.744 -5.268 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.321 10.934 -5.536 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.733 5.381 -7.109 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.072 4.079 -7.218 1.00 0.00 C ATOM 1438 C VAL Y 3 11.114 2.972 -7.109 1.00 0.00 C ATOM 1439 O VAL Y 3 12.077 2.948 -7.875 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.334 3.984 -8.562 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.233 5.050 -8.616 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 10.318 4.214 -9.715 1.00 0.00 C ATOM 0 H VAL Y 3 11.379 5.594 -7.869 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.347 3.967 -6.411 1.00 0.00 H new ATOM 0 HB VAL Y 3 8.892 2.992 -8.658 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 7.709 4.984 -9.569 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 7.527 4.886 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.679 6.039 -8.516 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 9.788 4.145 -10.665 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 10.765 5.203 -9.620 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 11.102 3.457 -9.681 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.919 2.039 -6.172 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.859 0.915 -6.003 1.00 0.00 C ATOM 1454 C HIS Y 4 11.128 -0.406 -6.242 1.00 0.00 C ATOM 1455 O HIS Y 4 10.073 -0.642 -5.654 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.479 0.929 -4.577 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.167 2.260 -4.266 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.078 2.880 -3.010 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 13.968 3.089 -5.024 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.800 4.016 -3.067 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.361 4.192 -4.268 1.00 0.00 N ATOM 0 H HIS Y 4 10.131 2.034 -5.524 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.665 1.020 -6.729 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.698 0.743 -3.840 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.201 0.118 -4.487 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.249 2.910 -6.051 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 13.912 4.703 -2.241 1.00 0.00 H new ATOM 0 HE2 HIS Y 4 14.951 4.968 -4.567 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.689 -1.275 -7.086 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.062 -2.578 -7.362 1.00 0.00 C ATOM 1470 C LEU Y 5 12.083 -3.700 -7.284 1.00 0.00 C ATOM 1471 O LEU Y 5 13.034 -3.743 -8.063 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.397 -2.572 -8.746 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.321 -1.457 -8.820 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 9.936 -0.151 -9.354 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 8.183 -1.896 -9.752 1.00 0.00 C ATOM 0 H LEU Y 5 12.563 -1.108 -7.585 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.300 -2.750 -6.602 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 11.150 -2.413 -9.518 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 9.940 -3.542 -8.942 1.00 0.00 H new ATOM 0 HG LEU Y 5 8.932 -1.284 -7.817 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 9.168 0.621 -9.400 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 10.737 0.173 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 10.340 -0.320 -10.352 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 7.429 -1.110 -9.801 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.581 -2.080 -10.750 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 7.730 -2.810 -9.368 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.862 -4.628 -6.348 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.755 -5.776 -6.186 1.00 0.00 C ATOM 1489 C GLN Y 6 11.976 -7.056 -6.466 1.00 0.00 C ATOM 1490 O GLN Y 6 11.130 -7.465 -5.673 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.332 -5.801 -4.759 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.341 -6.953 -4.625 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.865 -7.050 -3.190 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.102 -7.271 -2.252 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.140 -6.901 -2.964 1.00 0.00 N ATOM 0 H GLN Y 6 11.078 -4.606 -5.696 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.584 -5.697 -6.889 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.819 -4.851 -4.537 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.528 -5.924 -4.034 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.867 -7.893 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 15.173 -6.796 -5.311 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.777 -6.717 -3.739 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.500 -6.968 -2.012 1.00 0.00 H new ATOM 1504 N ILE Y 7 12.267 -7.677 -7.606 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.590 -8.909 -8.006 1.00 0.00 C ATOM 1506 C ILE Y 7 12.565 -10.079 -7.934 1.00 0.00 C ATOM 1507 O ILE Y 7 12.452 -10.866 -7.009 1.00 0.00 O ATOM 1508 CB ILE Y 7 11.067 -8.768 -9.444 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.304 -7.444 -9.591 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 10.153 -9.946 -9.787 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.188 -7.350 -8.546 1.00 0.00 C ATOM 1512 OXT ILE Y 7 13.418 -10.166 -8.803 1.00 0.00 O ATOM 0 H ILE Y 7 12.968 -7.348 -8.270 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.754 -9.093 -7.331 1.00 0.00 H new ATOM 0 HB ILE Y 7 11.911 -8.769 -10.133 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 10.991 -6.606 -9.474 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 9.880 -7.371 -10.592 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 9.787 -9.837 -10.808 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 10.712 -10.878 -9.699 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 9.308 -9.963 -9.099 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 8.657 -6.405 -8.664 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 8.491 -8.177 -8.682 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.620 -7.401 -7.547 1.00 0.00 H new