USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=20 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= -0.446 K(o=-2.7,f=-3.5) USER MOD Set 1.2: O 4 HIS : no HD1:sc= -0.412 X(o=-2.7,f=-3.2) USER MOD Set 1.3: Q 2 HIS : no HD1:sc= -1.08 K(o=-2.7,f=-5.1!) USER MOD Set 1.4: Q 4 HIS : no HE2:sc= 0.0196 X(o=-2.7,f=-3.1) USER MOD Set 1.5: S 2 HIS : no HE2:sc= 0.0748 K(o=-2.7,f=-7.2) USER MOD Set 1.6: S 4 HIS : no HD1:sc= -0.144 X(o=-2.7,f=-2.7) USER MOD Set 1.7: U 2 HIS : no HD1:sc= -1.27 K(o=-2.7,f=-3.6!) USER MOD Set 1.8: U 4 HIS : no HE2:sc= 0.00917 X(o=-2.7,f=-2.8) USER MOD Set 1.9: W 2 HIS : no HD1:sc= 0.227 K(o=-2.7,f=-9.7!) USER MOD Set 1.10: W 4 HIS : no HD1:sc= -0.266 X(o=-2.7,f=-2.4) USER MOD Set 1.11: Y 2 HIS : no HD1:sc= 0 X(o=-2.7,f=-2.6) USER MOD Set 1.12: Y 4 HIS : no HD1:sc= 0.594 K(o=-2.7,f=-6.7) USER MOD Set 2.1: O 6 GLN : amide:sc= 0.498 K(o=2.7,f=1.8) USER MOD Set 2.2: Q 6 GLN : amide:sc= 0.697 K(o=2.7,f=-2.2!) USER MOD Set 2.3: S 6 GLN : amide:sc= 0.83 K(o=2.7,f=-4.2!) USER MOD Set 2.4: U 6 GLN : amide:sc= 0.514 K(o=2.7,f=-6!) USER MOD Set 2.5: W 6 GLN : amide:sc= 0.689 K(o=2.7,f=-6.9!) USER MOD Set 2.6: Y 6 GLN : amide:sc= -0.478 K(o=2.7,f=-5.5!) USER MOD Set 3.1: A 6 GLN : amide:sc= 0.601 K(o=2.9,f=1.8) USER MOD Set 3.2: C 6 GLN : amide:sc= 0.704 K(o=2.9,f=-2.2!) USER MOD Set 3.3: E 6 GLN : amide:sc= 0.72 K(o=2.9,f=-4.2!) USER MOD Set 3.4: G 6 GLN : amide:sc= 0.461 K(o=2.9,f=-5.3!) USER MOD Set 3.5: I 6 GLN : amide:sc= 0.691 K(o=2.9,f=-6.1!) USER MOD Set 3.6: K 6 GLN : amide:sc= -0.238 K(o=2.9,f=-5.2!) USER MOD Set 4.1: A 2 HIS : no HD1:sc= -0.294 K(o=-3.2,f=-4.5) USER MOD Set 4.2: A 4 HIS : no HD1:sc= -0.724 K(o=-3.2,f=-3.9) USER MOD Set 4.3: C 2 HIS : no HD1:sc= -0.95 K(o=-3.2,f=-5.8!) USER MOD Set 4.4: C 4 HIS : no HD1:sc= 0.0735 K(o=-3.2,f=-4) USER MOD Set 4.5: E 2 HIS : no HE2:sc= -0.0621 K(o=-3.2,f=-7.9!) USER MOD Set 4.6: E 4 HIS : no HD1:sc= -0.139 X(o=-3.2,f=-3.4) USER MOD Set 4.7: G 2 HIS : no HD1:sc= -0.989 K(o=-3.2,f=-5.2!) USER MOD Set 4.8: G 4 HIS : no HE2:sc= 0.00415 X(o=-3.2,f=-3.5) USER MOD Set 4.9: I 2 HIS : no HE2:sc= -0.0375 K(o=-3.2,f=-8.5) USER MOD Set 4.10: I 4 HIS : no HD1:sc= -0.135 X(o=-3.2,f=-3.2) USER MOD Set 4.11: K 2 HIS : no HD1:sc= 0 X(o=-3.2,f=-3.1) USER MOD Set 4.12: K 4 HIS : no HE2:sc= 0.0808 K(o=-3.2,f=-4.3) USER MOD Single : A 1 ILE N :NH3+ -151:sc= -0.221 (180deg=-1.08) USER MOD Single : C 1 ILE N :NH3+ -155:sc= -0.197 (180deg=-1.03) USER MOD Single : E 1 ILE N :NH3+ -151:sc= -0.17 (180deg=-1.09!) USER MOD Single : G 1 ILE N :NH3+ -137:sc= -0.173 (180deg=-1.03) USER MOD Single : I 1 ILE N :NH3+ -151:sc= -0.186 (180deg=-1.1) USER MOD Single : K 1 ILE N :NH3+ -133:sc= -0.219 (180deg=-1.06) USER MOD Single : O 1 ILE N :NH3+ -152:sc= -0.125 (180deg=-1.08) USER MOD Single : Q 1 ILE N :NH3+ -151:sc= -0.16 (180deg=-1.04) USER MOD Single : S 1 ILE N :NH3+ -151:sc= -0.222 (180deg=-1.11) USER MOD Single : U 1 ILE N :NH3+ -152:sc= -0.182 (180deg=-1.03) USER MOD Single : W 1 ILE N :NH3+ -151:sc= -0.195 (180deg=-1.05) USER MOD Single : Y 1 ILE N :NH3+ -155:sc= -0.145 (180deg=-0.979) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.295 -11.548 6.661 1.00 0.00 N ATOM 2 CA ILE A 1 -11.428 -10.332 7.514 1.00 0.00 C ATOM 3 C ILE A 1 -11.365 -9.089 6.630 1.00 0.00 C ATOM 4 O ILE A 1 -10.441 -8.926 5.830 1.00 0.00 O ATOM 5 CB ILE A 1 -10.283 -10.302 8.539 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.385 -11.535 9.445 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.397 -9.036 9.392 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.107 -11.670 10.278 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.800 -12.341 7.106 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.703 -11.360 5.723 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.289 -11.792 6.559 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.382 -10.352 8.041 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.325 -10.306 8.019 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.251 -11.445 10.101 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.534 -12.430 8.842 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.586 -9.013 10.120 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.333 -8.158 8.750 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.353 -9.035 9.915 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.183 -12.547 10.921 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.250 -11.780 9.614 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -8.978 -10.779 10.893 1.00 0.00 H new ATOM 22 N HIS A 2 -12.352 -8.203 6.776 1.00 0.00 N ATOM 23 CA HIS A 2 -12.376 -6.989 6.006 1.00 0.00 C ATOM 24 C HIS A 2 -12.199 -5.802 6.942 1.00 0.00 C ATOM 25 O HIS A 2 -13.020 -5.593 7.835 1.00 0.00 O ATOM 26 CB HIS A 2 -13.766 -6.924 5.341 1.00 0.00 C ATOM 27 CG HIS A 2 -14.053 -5.554 4.802 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.333 -4.981 4.833 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.253 -4.652 4.177 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.250 -3.785 4.236 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.013 -3.528 3.813 1.00 0.00 N ATOM 0 H HIS A 2 -13.135 -8.315 7.420 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.581 -6.966 5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.818 -7.653 4.532 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.531 -7.198 6.067 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.197 -4.779 3.989 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.085 -3.111 4.112 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -13.687 -2.692 3.328 1.00 0.00 H new ATOM 38 N VAL A 3 -11.171 -4.986 6.702 1.00 0.00 N ATOM 39 CA VAL A 3 -10.965 -3.783 7.510 1.00 0.00 C ATOM 40 C VAL A 3 -11.035 -2.553 6.625 1.00 0.00 C ATOM 41 O VAL A 3 -10.245 -2.421 5.690 1.00 0.00 O ATOM 42 CB VAL A 3 -9.612 -3.839 8.219 1.00 0.00 C ATOM 43 CG1 VAL A 3 -9.429 -2.561 9.047 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.564 -5.071 9.142 1.00 0.00 C ATOM 0 H VAL A 3 -10.479 -5.132 5.967 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.750 -3.729 8.265 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.811 -3.915 7.483 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -8.466 -2.592 9.557 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.463 -1.693 8.389 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -10.228 -2.488 9.785 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.599 -5.110 9.647 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.359 -5.001 9.884 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.700 -5.975 8.549 1.00 0.00 H new ATOM 54 N HIS A 4 -11.950 -1.637 6.929 1.00 0.00 N ATOM 55 CA HIS A 4 -12.074 -0.419 6.170 1.00 0.00 C ATOM 56 C HIS A 4 -11.837 0.804 7.048 1.00 0.00 C ATOM 57 O HIS A 4 -12.428 0.928 8.121 1.00 0.00 O ATOM 58 CB HIS A 4 -13.464 -0.388 5.512 1.00 0.00 C ATOM 59 CG HIS A 4 -13.439 0.520 4.316 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.687 0.089 3.002 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.194 1.850 4.233 1.00 0.00 C ATOM 62 CE1 HIS A 4 -13.581 1.163 2.204 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.285 2.266 2.902 1.00 0.00 N ATOM 0 H HIS A 4 -12.613 -1.725 7.699 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.311 -0.393 5.392 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.757 -1.394 5.211 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.208 -0.041 6.229 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -12.963 2.492 5.070 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -13.717 1.140 1.133 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.154 3.210 2.539 1.00 0.00 H new ATOM 71 N LEU A 5 -10.987 1.721 6.580 1.00 0.00 N ATOM 72 CA LEU A 5 -10.700 2.952 7.324 1.00 0.00 C ATOM 73 C LEU A 5 -11.158 4.151 6.513 1.00 0.00 C ATOM 74 O LEU A 5 -10.676 4.379 5.406 1.00 0.00 O ATOM 75 CB LEU A 5 -9.195 3.071 7.596 1.00 0.00 C ATOM 76 CG LEU A 5 -8.866 4.417 8.271 1.00 0.00 C ATOM 77 CD1 LEU A 5 -9.558 4.510 9.637 1.00 0.00 C ATOM 78 CD2 LEU A 5 -7.350 4.526 8.456 1.00 0.00 C ATOM 0 H LEU A 5 -10.487 1.637 5.695 1.00 0.00 H new ATOM 0 HA LEU A 5 -11.232 2.921 8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.870 2.250 8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.644 2.984 6.660 1.00 0.00 H new ATOM 0 HG LEU A 5 -9.224 5.232 7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.317 5.466 10.103 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -10.637 4.433 9.504 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.212 3.698 10.276 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -7.109 5.476 8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -7.000 3.706 9.083 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.860 4.474 7.484 1.00 0.00 H new ATOM 90 N GLN A 6 -12.067 4.933 7.083 1.00 0.00 N ATOM 91 CA GLN A 6 -12.560 6.137 6.418 1.00 0.00 C ATOM 92 C GLN A 6 -12.461 7.297 7.396 1.00 0.00 C ATOM 93 O GLN A 6 -13.223 7.372 8.360 1.00 0.00 O ATOM 94 CB GLN A 6 -14.010 5.942 5.964 1.00 0.00 C ATOM 95 CG GLN A 6 -14.465 7.170 5.168 1.00 0.00 C ATOM 96 CD GLN A 6 -15.935 7.035 4.783 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.802 6.946 5.651 1.00 0.00 O ATOM 98 NE2 GLN A 6 -16.266 7.009 3.520 1.00 0.00 N ATOM 0 H GLN A 6 -12.477 4.758 8.000 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.959 6.345 5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.093 5.046 5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.657 5.796 6.829 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.319 8.072 5.762 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.855 7.277 4.271 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.545 7.083 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.245 6.915 3.251 1.00 0.00 H new ATOM 107 N ILE A 7 -11.500 8.192 7.160 1.00 0.00 N ATOM 108 CA ILE A 7 -11.300 9.337 8.055 1.00 0.00 C ATOM 109 C ILE A 7 -11.058 10.613 7.254 1.00 0.00 C ATOM 110 O ILE A 7 -11.167 10.556 6.040 1.00 0.00 O ATOM 111 CB ILE A 7 -10.116 9.057 9.006 1.00 0.00 C ATOM 112 CG1 ILE A 7 -8.806 8.925 8.214 1.00 0.00 C ATOM 113 CG2 ILE A 7 -10.384 7.748 9.734 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.612 8.844 9.176 1.00 0.00 C ATOM 115 OXT ILE A 7 -10.768 11.627 7.866 1.00 0.00 O ATOM 0 H ILE A 7 -10.856 8.150 6.370 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.203 9.481 8.649 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.019 9.883 9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.839 8.033 7.588 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.688 9.779 7.547 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.558 7.533 10.411 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -11.309 7.832 10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.478 6.940 9.008 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.689 8.751 8.603 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.572 9.748 9.784 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.726 7.976 9.825 1.00 0.00 H new ATOM 128 N ILE C 1 -8.083 -11.743 3.017 1.00 0.00 N ATOM 129 CA ILE C 1 -8.248 -10.511 3.841 1.00 0.00 C ATOM 130 C ILE C 1 -8.229 -9.289 2.929 1.00 0.00 C ATOM 131 O ILE C 1 -7.299 -9.103 2.130 1.00 0.00 O ATOM 132 CB ILE C 1 -7.101 -10.414 4.859 1.00 0.00 C ATOM 133 CG1 ILE C 1 -7.139 -11.631 5.788 1.00 0.00 C ATOM 134 CG2 ILE C 1 -7.257 -9.145 5.702 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.863 -11.667 6.632 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.502 -12.553 3.516 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.561 -11.615 2.102 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.071 -11.921 2.857 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.198 -10.553 4.374 1.00 0.00 H new ATOM 0 HB ILE C 1 -6.153 -10.382 4.322 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -8.015 -11.581 6.435 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.227 -12.546 5.203 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.440 -9.083 6.421 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -7.234 -8.271 5.051 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -8.208 -9.176 6.234 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.889 -12.533 7.294 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.995 -11.737 5.976 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.795 -10.757 7.228 1.00 0.00 H new ATOM 149 N HIS C 2 -9.248 -8.433 3.059 1.00 0.00 N ATOM 150 CA HIS C 2 -9.295 -7.211 2.253 1.00 0.00 C ATOM 151 C HIS C 2 -9.097 -6.006 3.170 1.00 0.00 C ATOM 152 O HIS C 2 -9.882 -5.796 4.099 1.00 0.00 O ATOM 153 CB HIS C 2 -10.669 -7.097 1.551 1.00 0.00 C ATOM 154 CG HIS C 2 -10.686 -7.882 0.254 1.00 0.00 C ATOM 155 ND1 HIS C 2 -10.830 -7.263 -0.982 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.622 -9.230 -0.013 1.00 0.00 C ATOM 157 CE1 HIS C 2 -10.849 -8.227 -1.920 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.724 -9.442 -1.386 1.00 0.00 N ATOM 0 H HIS C 2 -10.033 -8.559 3.698 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.509 -7.242 1.499 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.451 -7.467 2.214 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -10.892 -6.049 1.349 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.510 -10.006 0.729 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -10.953 -8.039 -2.978 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.707 -10.336 -1.878 1.00 0.00 H new ATOM 166 N VAL C 3 -8.085 -5.183 2.880 1.00 0.00 N ATOM 167 CA VAL C 3 -7.850 -3.969 3.663 1.00 0.00 C ATOM 168 C VAL C 3 -8.037 -2.749 2.768 1.00 0.00 C ATOM 169 O VAL C 3 -7.375 -2.629 1.731 1.00 0.00 O ATOM 170 CB VAL C 3 -6.431 -3.998 4.256 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.158 -2.717 5.094 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.296 -5.250 5.137 1.00 0.00 C ATOM 0 H VAL C 3 -7.423 -5.333 2.118 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.564 -3.915 4.485 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.699 -4.029 3.449 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.149 -2.759 5.504 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.255 -1.838 4.457 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.879 -2.655 5.909 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.295 -5.287 5.566 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -7.033 -5.212 5.939 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.464 -6.141 4.532 1.00 0.00 H new ATOM 182 N HIS C 4 -8.918 -1.834 3.171 1.00 0.00 N ATOM 183 CA HIS C 4 -9.153 -0.613 2.393 1.00 0.00 C ATOM 184 C HIS C 4 -8.806 0.620 3.233 1.00 0.00 C ATOM 185 O HIS C 4 -9.298 0.762 4.353 1.00 0.00 O ATOM 186 CB HIS C 4 -10.640 -0.548 1.943 1.00 0.00 C ATOM 187 CG HIS C 4 -11.074 -1.812 1.186 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.316 -2.426 1.401 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.462 -2.571 0.203 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.398 -3.486 0.577 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.302 -3.625 -0.174 1.00 0.00 N ATOM 0 H HIS C 4 -9.476 -1.911 4.021 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.515 -0.629 1.509 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.277 -0.414 2.817 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -10.787 0.324 1.305 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.483 -2.379 -0.211 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.250 -4.147 0.528 1.00 0.00 H new ATOM 0 HE2 HIS C 4 -11.117 -4.345 -0.872 1.00 0.00 H new ATOM 198 N LEU C 5 -7.993 1.530 2.683 1.00 0.00 N ATOM 199 CA LEU C 5 -7.630 2.767 3.392 1.00 0.00 C ATOM 200 C LEU C 5 -8.148 3.957 2.608 1.00 0.00 C ATOM 201 O LEU C 5 -7.812 4.129 1.436 1.00 0.00 O ATOM 202 CB LEU C 5 -6.109 2.895 3.536 1.00 0.00 C ATOM 203 CG LEU C 5 -5.506 1.683 4.272 1.00 0.00 C ATOM 204 CD1 LEU C 5 -6.250 1.456 5.597 1.00 0.00 C ATOM 205 CD2 LEU C 5 -5.570 0.409 3.393 1.00 0.00 C ATOM 0 H LEU C 5 -7.576 1.436 1.757 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.074 2.737 4.387 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.656 2.985 2.549 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.870 3.808 4.081 1.00 0.00 H new ATOM 0 HG LEU C 5 -4.457 1.893 4.481 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -5.820 0.598 6.113 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -6.155 2.342 6.224 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -7.304 1.266 5.395 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.138 -0.431 3.937 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -6.609 0.187 3.149 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -5.008 0.573 2.473 1.00 0.00 H new ATOM 217 N GLN C 6 -8.963 4.784 3.255 1.00 0.00 N ATOM 218 CA GLN C 6 -9.517 5.964 2.599 1.00 0.00 C ATOM 219 C GLN C 6 -9.425 7.167 3.530 1.00 0.00 C ATOM 220 O GLN C 6 -10.020 7.182 4.612 1.00 0.00 O ATOM 221 CB GLN C 6 -10.974 5.695 2.209 1.00 0.00 C ATOM 222 CG GLN C 6 -11.524 6.871 1.400 1.00 0.00 C ATOM 223 CD GLN C 6 -13.001 6.637 1.095 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.818 6.551 2.009 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.389 6.516 -0.147 1.00 0.00 N ATOM 0 H GLN C 6 -9.253 4.661 4.225 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.945 6.182 1.697 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -11.039 4.778 1.623 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.577 5.545 3.104 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -11.400 7.799 1.958 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.964 6.980 0.472 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.708 6.588 -0.903 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.373 6.350 -0.360 1.00 0.00 H new ATOM 234 N ILE C 7 -8.669 8.186 3.114 1.00 0.00 N ATOM 235 CA ILE C 7 -8.514 9.390 3.945 1.00 0.00 C ATOM 236 C ILE C 7 -8.507 10.646 3.072 1.00 0.00 C ATOM 237 O ILE C 7 -8.607 11.727 3.629 1.00 0.00 O ATOM 238 CB ILE C 7 -7.220 9.297 4.792 1.00 0.00 C ATOM 239 CG1 ILE C 7 -6.009 9.832 4.000 1.00 0.00 C ATOM 240 CG2 ILE C 7 -6.968 7.837 5.189 1.00 0.00 C ATOM 241 CD1 ILE C 7 -4.696 9.480 4.716 1.00 0.00 C ATOM 242 OXT ILE C 7 -8.401 10.507 1.865 1.00 0.00 O ATOM 0 H ILE C 7 -8.164 8.207 2.228 1.00 0.00 H new ATOM 0 HA ILE C 7 -9.363 9.456 4.626 1.00 0.00 H new ATOM 0 HB ILE C 7 -7.347 9.906 5.687 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -6.007 9.407 2.996 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -6.090 10.913 3.888 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -6.057 7.774 5.785 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -7.811 7.468 5.774 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.857 7.230 4.291 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -3.854 9.866 4.142 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -4.693 9.927 5.710 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -4.609 8.397 4.805 1.00 0.00 H new ATOM 255 N ILE E 1 -4.986 -11.659 -0.848 1.00 0.00 N ATOM 256 CA ILE E 1 -5.098 -10.426 -0.019 1.00 0.00 C ATOM 257 C ILE E 1 -5.157 -9.211 -0.937 1.00 0.00 C ATOM 258 O ILE E 1 -4.292 -9.038 -1.807 1.00 0.00 O ATOM 259 CB ILE E 1 -3.875 -10.323 0.901 1.00 0.00 C ATOM 260 CG1 ILE E 1 -3.855 -11.529 1.847 1.00 0.00 C ATOM 261 CG2 ILE E 1 -3.959 -9.031 1.722 1.00 0.00 C ATOM 262 CD1 ILE E 1 -2.500 -11.613 2.557 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.421 -12.457 -0.343 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.476 -11.514 -1.754 1.00 0.00 H new ATOM 0 H3 ILE E 1 -3.983 -11.867 -1.026 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.003 -10.466 0.588 1.00 0.00 H new ATOM 0 HB ILE E 1 -2.965 -10.311 0.301 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -4.655 -11.439 2.582 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.039 -12.445 1.286 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.090 -8.958 2.376 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -3.980 -8.173 1.050 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -4.867 -9.042 2.325 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -2.493 -12.472 3.228 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -1.708 -11.724 1.817 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.334 -10.702 3.133 1.00 0.00 H new ATOM 276 N HIS E 2 -6.170 -8.358 -0.741 1.00 0.00 N ATOM 277 CA HIS E 2 -6.296 -7.168 -1.547 1.00 0.00 C ATOM 278 C HIS E 2 -6.091 -5.941 -0.671 1.00 0.00 C ATOM 279 O HIS E 2 -6.850 -5.725 0.273 1.00 0.00 O ATOM 280 CB HIS E 2 -7.733 -7.143 -2.113 1.00 0.00 C ATOM 281 CG HIS E 2 -8.050 -5.796 -2.709 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.297 -5.156 -2.573 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.295 -4.973 -3.486 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.237 -4.011 -3.261 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.049 -3.840 -3.839 1.00 0.00 N ATOM 0 H HIS E 2 -6.899 -8.479 -0.037 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.557 -7.166 -2.348 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -7.843 -7.917 -2.873 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.445 -7.371 -1.320 1.00 0.00 H new ATOM 0 HD1 HIS E 2 -10.099 -5.502 -2.046 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.274 -5.161 -3.785 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.054 -3.309 -3.339 1.00 0.00 H new ATOM 292 N VAL E 3 -5.113 -5.102 -1.019 1.00 0.00 N ATOM 293 CA VAL E 3 -4.896 -3.859 -0.279 1.00 0.00 C ATOM 294 C VAL E 3 -5.072 -2.672 -1.205 1.00 0.00 C ATOM 295 O VAL E 3 -4.344 -2.554 -2.191 1.00 0.00 O ATOM 296 CB VAL E 3 -3.491 -3.841 0.320 1.00 0.00 C ATOM 297 CG1 VAL E 3 -3.294 -2.528 1.084 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.325 -5.033 1.277 1.00 0.00 C ATOM 0 H VAL E 3 -4.469 -5.257 -1.795 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.626 -3.798 0.528 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.747 -3.917 -0.473 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -2.293 -2.505 1.516 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.413 -1.688 0.400 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -4.035 -2.456 1.880 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.322 -5.020 1.704 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -4.061 -4.962 2.077 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.473 -5.963 0.729 1.00 0.00 H new ATOM 308 N HIS E 4 -6.002 -1.776 -0.881 1.00 0.00 N ATOM 309 CA HIS E 4 -6.203 -0.595 -1.686 1.00 0.00 C ATOM 310 C HIS E 4 -5.964 0.669 -0.875 1.00 0.00 C ATOM 311 O HIS E 4 -6.515 0.821 0.213 1.00 0.00 O ATOM 312 CB HIS E 4 -7.620 -0.639 -2.282 1.00 0.00 C ATOM 313 CG HIS E 4 -7.682 0.226 -3.508 1.00 0.00 C ATOM 314 ND1 HIS E 4 -7.947 -0.264 -4.799 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.520 1.562 -3.640 1.00 0.00 C ATOM 316 CE1 HIS E 4 -7.936 0.789 -5.632 1.00 0.00 C ATOM 317 NE2 HIS E 4 -7.683 1.929 -4.978 1.00 0.00 N ATOM 0 H HIS E 4 -6.618 -1.853 -0.072 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.479 -0.577 -2.501 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -7.886 -1.665 -2.536 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.345 -0.294 -1.545 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.298 2.243 -2.832 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.109 0.724 -6.696 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -7.622 2.867 -5.373 1.00 0.00 H new ATOM 325 N LEU E 5 -5.159 1.587 -1.417 1.00 0.00 N ATOM 326 CA LEU E 5 -4.872 2.854 -0.734 1.00 0.00 C ATOM 327 C LEU E 5 -5.408 4.019 -1.548 1.00 0.00 C ATOM 328 O LEU E 5 -5.006 4.225 -2.691 1.00 0.00 O ATOM 329 CB LEU E 5 -3.355 3.020 -0.543 1.00 0.00 C ATOM 330 CG LEU E 5 -3.026 4.404 0.043 1.00 0.00 C ATOM 331 CD1 LEU E 5 -3.667 4.554 1.424 1.00 0.00 C ATOM 332 CD2 LEU E 5 -1.505 4.544 0.164 1.00 0.00 C ATOM 0 H LEU E 5 -4.697 1.479 -2.320 1.00 0.00 H new ATOM 0 HA LEU E 5 -5.359 2.841 0.241 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.980 2.241 0.121 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.848 2.895 -1.500 1.00 0.00 H new ATOM 0 HG LEU E 5 -3.419 5.180 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -3.429 5.537 1.831 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -4.748 4.450 1.336 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -3.281 3.782 2.090 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -1.261 5.522 0.579 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -1.119 3.765 0.821 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -1.051 4.445 -0.822 1.00 0.00 H new ATOM 344 N GLN E 6 -6.295 4.800 -0.939 1.00 0.00 N ATOM 345 CA GLN E 6 -6.858 5.973 -1.601 1.00 0.00 C ATOM 346 C GLN E 6 -6.752 7.166 -0.662 1.00 0.00 C ATOM 347 O GLN E 6 -7.431 7.235 0.370 1.00 0.00 O ATOM 348 CB GLN E 6 -8.318 5.713 -1.982 1.00 0.00 C ATOM 349 CG GLN E 6 -8.857 6.898 -2.787 1.00 0.00 C ATOM 350 CD GLN E 6 -10.334 6.692 -3.104 1.00 0.00 C ATOM 351 OE1 GLN E 6 -11.166 6.616 -2.196 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.706 6.584 -4.351 1.00 0.00 N ATOM 0 H GLN E 6 -6.639 4.643 0.008 1.00 0.00 H new ATOM 0 HA GLN E 6 -6.303 6.184 -2.515 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -8.394 4.797 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.918 5.567 -1.084 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.724 7.821 -2.222 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -8.291 7.006 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -10.013 6.648 -5.097 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.689 6.436 -4.579 1.00 0.00 H new ATOM 361 N ILE E 7 -5.872 8.102 -1.006 1.00 0.00 N ATOM 362 CA ILE E 7 -5.667 9.279 -0.161 1.00 0.00 C ATOM 363 C ILE E 7 -5.531 10.536 -1.012 1.00 0.00 C ATOM 364 O ILE E 7 -5.726 10.437 -2.213 1.00 0.00 O ATOM 365 CB ILE E 7 -4.412 9.058 0.706 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.147 9.046 -0.165 1.00 0.00 C ATOM 367 CG2 ILE E 7 -4.537 7.699 1.387 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.888 8.971 0.713 1.00 0.00 C ATOM 369 OXT ILE E 7 -5.231 11.577 -0.453 1.00 0.00 O ATOM 0 H ILE E 7 -5.297 8.073 -1.848 1.00 0.00 H new ATOM 0 HA ILE E 7 -6.531 9.418 0.488 1.00 0.00 H new ATOM 0 HB ILE E 7 -4.335 9.864 1.435 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.175 8.194 -0.845 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.114 9.944 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -3.658 7.521 2.007 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -5.430 7.686 2.011 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -4.611 6.918 0.630 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.002 8.963 0.078 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.853 9.837 1.374 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.915 8.059 1.310 1.00 0.00 H new ATOM 382 N ILE G 1 -1.752 -11.839 -4.567 1.00 0.00 N ATOM 383 CA ILE G 1 -1.926 -10.594 -3.767 1.00 0.00 C ATOM 384 C ILE G 1 -1.969 -9.394 -4.705 1.00 0.00 C ATOM 385 O ILE G 1 -1.056 -9.193 -5.518 1.00 0.00 O ATOM 386 CB ILE G 1 -0.749 -10.442 -2.794 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.723 -11.637 -1.837 1.00 0.00 C ATOM 388 CG2 ILE G 1 -0.909 -9.158 -1.980 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.583 -11.622 -1.039 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.383 -12.579 -4.199 1.00 0.00 H new ATOM 0 H2 ILE G 1 -1.986 -11.648 -5.562 1.00 0.00 H new ATOM 0 H3 ILE G 1 -0.765 -12.160 -4.499 1.00 0.00 H new ATOM 0 HA ILE G 1 -2.857 -10.650 -3.203 1.00 0.00 H new ATOM 0 HB ILE G 1 0.180 -10.399 -3.363 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.576 -11.593 -1.160 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -0.809 -12.568 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE G 1 -0.070 -9.057 -1.292 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -0.932 -8.301 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.840 -9.200 -1.414 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.603 -12.472 -0.357 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.429 -11.686 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.649 -10.697 -0.467 1.00 0.00 H new ATOM 403 N HIS G 2 -3.019 -8.575 -4.582 1.00 0.00 N ATOM 404 CA HIS G 2 -3.122 -7.376 -5.419 1.00 0.00 C ATOM 405 C HIS G 2 -2.951 -6.140 -4.540 1.00 0.00 C ATOM 406 O HIS G 2 -3.724 -5.931 -3.599 1.00 0.00 O ATOM 407 CB HIS G 2 -4.508 -7.330 -6.100 1.00 0.00 C ATOM 408 CG HIS G 2 -4.520 -8.141 -7.380 1.00 0.00 C ATOM 409 ND1 HIS G 2 -4.714 -7.555 -8.625 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.402 -9.490 -7.622 1.00 0.00 C ATOM 411 CE1 HIS G 2 -4.711 -8.538 -9.543 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.525 -9.737 -8.986 1.00 0.00 N ATOM 0 H HIS G 2 -3.790 -8.714 -3.929 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.347 -7.399 -6.185 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.264 -7.715 -5.416 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -4.773 -6.296 -6.320 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.238 -10.244 -6.867 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -4.843 -8.377 -10.603 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.482 -10.640 -9.459 1.00 0.00 H new ATOM 420 N VAL G 3 -1.975 -5.293 -4.875 1.00 0.00 N ATOM 421 CA VAL G 3 -1.763 -4.047 -4.135 1.00 0.00 C ATOM 422 C VAL G 3 -2.010 -2.864 -5.064 1.00 0.00 C ATOM 423 O VAL G 3 -1.377 -2.759 -6.123 1.00 0.00 O ATOM 424 CB VAL G 3 -0.330 -4.012 -3.575 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.080 -2.698 -2.781 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.134 -5.231 -2.661 1.00 0.00 C ATOM 0 H VAL G 3 -1.325 -5.445 -5.646 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.459 -3.989 -3.298 1.00 0.00 H new ATOM 0 HB VAL G 3 0.384 -4.044 -4.398 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.939 -2.695 -2.394 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.220 -1.842 -3.441 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -0.783 -2.635 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.877 -5.222 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -0.854 -5.192 -1.843 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.286 -6.145 -3.235 1.00 0.00 H new ATOM 436 N HIS G 4 -2.911 -1.962 -4.672 1.00 0.00 N ATOM 437 CA HIS G 4 -3.203 -0.776 -5.488 1.00 0.00 C ATOM 438 C HIS G 4 -2.874 0.497 -4.701 1.00 0.00 C ATOM 439 O HIS G 4 -3.346 0.666 -3.576 1.00 0.00 O ATOM 440 CB HIS G 4 -4.704 -0.772 -5.897 1.00 0.00 C ATOM 441 CG HIS G 4 -5.104 -2.060 -6.625 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.323 -2.715 -6.386 1.00 0.00 N ATOM 443 CD2 HIS G 4 -4.472 -2.823 -7.591 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.369 -3.798 -7.179 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.274 -3.916 -7.932 1.00 0.00 N ATOM 0 H HIS G 4 -3.447 -2.025 -3.806 1.00 0.00 H new ATOM 0 HA HIS G 4 -2.588 -0.805 -6.387 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.322 -0.652 -5.007 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -4.902 0.085 -6.541 1.00 0.00 H new ATOM 0 HD1 HIS G 4 -7.045 -2.421 -5.728 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -3.504 -2.606 -8.018 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.196 -4.492 -7.204 1.00 0.00 H new ATOM 452 N LEU G 5 -2.098 1.408 -5.303 1.00 0.00 N ATOM 453 CA LEU G 5 -1.758 2.680 -4.646 1.00 0.00 C ATOM 454 C LEU G 5 -2.334 3.833 -5.450 1.00 0.00 C ATOM 455 O LEU G 5 -2.022 3.996 -6.630 1.00 0.00 O ATOM 456 CB LEU G 5 -0.236 2.862 -4.533 1.00 0.00 C ATOM 457 CG LEU G 5 0.420 1.693 -3.767 1.00 0.00 C ATOM 458 CD1 LEU G 5 -0.295 1.480 -2.424 1.00 0.00 C ATOM 459 CD2 LEU G 5 0.388 0.392 -4.604 1.00 0.00 C ATOM 0 H LEU G 5 -1.697 1.292 -6.234 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.181 2.666 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU G 5 0.198 2.933 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.018 3.800 -4.023 1.00 0.00 H new ATOM 0 HG LEU G 5 1.463 1.948 -3.580 1.00 0.00 H new ATOM 0 HD11 LEU G 5 0.173 0.654 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU G 5 -0.222 2.388 -1.825 1.00 0.00 H new ATOM 0 HD13 LEU G 5 -1.345 1.247 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU G 5 0.857 -0.415 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU G 5 -0.646 0.127 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU G 5 0.931 0.546 -5.537 1.00 0.00 H new ATOM 471 N GLN G 6 -3.174 4.640 -4.806 1.00 0.00 N ATOM 472 CA GLN G 6 -3.787 5.785 -5.475 1.00 0.00 C ATOM 473 C GLN G 6 -3.729 7.006 -4.566 1.00 0.00 C ATOM 474 O GLN G 6 -4.339 7.029 -3.491 1.00 0.00 O ATOM 475 CB GLN G 6 -5.241 5.453 -5.829 1.00 0.00 C ATOM 476 CG GLN G 6 -5.856 6.591 -6.649 1.00 0.00 C ATOM 477 CD GLN G 6 -7.331 6.300 -6.921 1.00 0.00 C ATOM 478 OE1 GLN G 6 -8.139 6.221 -5.988 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.730 6.122 -8.152 1.00 0.00 N ATOM 0 H GLN G 6 -3.444 4.524 -3.829 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.241 6.006 -6.392 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.282 4.523 -6.396 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.819 5.297 -4.918 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.756 7.534 -6.111 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -5.319 6.703 -7.591 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -7.061 6.188 -8.919 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.710 5.917 -8.346 1.00 0.00 H new ATOM 488 N ILE G 7 -2.983 8.029 -4.998 1.00 0.00 N ATOM 489 CA ILE G 7 -2.849 9.254 -4.199 1.00 0.00 C ATOM 490 C ILE G 7 -2.934 10.493 -5.092 1.00 0.00 C ATOM 491 O ILE G 7 -3.086 11.576 -4.554 1.00 0.00 O ATOM 492 CB ILE G 7 -1.515 9.230 -3.415 1.00 0.00 C ATOM 493 CG1 ILE G 7 -0.362 9.783 -4.276 1.00 0.00 C ATOM 494 CG2 ILE G 7 -1.188 7.790 -3.000 1.00 0.00 C ATOM 495 CD1 ILE G 7 0.993 9.492 -3.609 1.00 0.00 C ATOM 496 OXT ILE G 7 -2.846 10.337 -6.299 1.00 0.00 O ATOM 0 H ILE G 7 -2.471 8.036 -5.880 1.00 0.00 H new ATOM 0 HA ILE G 7 -3.671 9.300 -3.485 1.00 0.00 H new ATOM 0 HB ILE G 7 -1.625 9.858 -2.531 1.00 0.00 H new ATOM 0 HG12 ILE G 7 -0.391 9.331 -5.267 1.00 0.00 H new ATOM 0 HG13 ILE G 7 -0.484 10.858 -4.412 1.00 0.00 H new ATOM 0 HG21 ILE G 7 -0.248 7.775 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -1.987 7.403 -2.367 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.096 7.167 -3.890 1.00 0.00 H new ATOM 0 HD11 ILE G 7 1.797 9.889 -4.229 1.00 0.00 H new ATOM 0 HD12 ILE G 7 1.025 9.965 -2.628 1.00 0.00 H new ATOM 0 HD13 ILE G 7 1.119 8.415 -3.497 1.00 0.00 H new ATOM 509 N ILE I 1 1.253 -11.721 -8.438 1.00 0.00 N ATOM 510 CA ILE I 1 1.145 -10.471 -7.634 1.00 0.00 C ATOM 511 C ILE I 1 1.022 -9.281 -8.578 1.00 0.00 C ATOM 512 O ILE I 1 1.861 -9.099 -9.468 1.00 0.00 O ATOM 513 CB ILE I 1 2.404 -10.315 -6.774 1.00 0.00 C ATOM 514 CG1 ILE I 1 2.497 -11.494 -5.797 1.00 0.00 C ATOM 515 CG2 ILE I 1 2.320 -9.004 -5.985 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.893 -11.541 -5.163 1.00 0.00 C ATOM 0 H1 ILE I 1 0.857 -12.516 -7.898 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.725 -11.609 -9.327 1.00 0.00 H new ATOM 0 H3 ILE I 1 2.253 -11.911 -8.651 1.00 0.00 H new ATOM 0 HA ILE I 1 0.268 -10.518 -6.989 1.00 0.00 H new ATOM 0 HB ILE I 1 3.287 -10.299 -7.413 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.739 -11.394 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE I 1 2.295 -12.428 -6.321 1.00 0.00 H new ATOM 0 HG21 ILE I 1 3.214 -8.890 -5.372 1.00 0.00 H new ATOM 0 HG22 ILE I 1 2.246 -8.166 -6.678 1.00 0.00 H new ATOM 0 HG23 ILE I 1 1.440 -9.022 -5.342 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.950 -12.381 -4.471 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.643 -11.663 -5.944 1.00 0.00 H new ATOM 0 HD13 ILE I 1 4.079 -10.613 -4.623 1.00 0.00 H new ATOM 530 N HIS I 2 -0.014 -8.454 -8.379 1.00 0.00 N ATOM 531 CA HIS I 2 -0.193 -7.287 -9.210 1.00 0.00 C ATOM 532 C HIS I 2 -0.002 -6.031 -8.376 1.00 0.00 C ATOM 533 O HIS I 2 -0.742 -5.804 -7.420 1.00 0.00 O ATOM 534 CB HIS I 2 -1.643 -7.313 -9.743 1.00 0.00 C ATOM 535 CG HIS I 2 -1.997 -6.001 -10.392 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.263 -5.395 -10.277 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.265 -5.179 -11.193 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.234 -4.269 -10.999 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.052 -4.080 -11.580 1.00 0.00 N ATOM 0 H HIS I 2 -0.724 -8.580 -7.657 1.00 0.00 H new ATOM 0 HA HIS I 2 0.529 -7.288 -10.027 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -1.756 -8.123 -10.464 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.333 -7.517 -8.924 1.00 0.00 H new ATOM 0 HD1 HIS I 2 -4.056 -5.749 -9.742 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.239 -5.345 -11.486 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.071 -3.594 -11.098 1.00 0.00 H new ATOM 546 N VAL I 3 0.943 -5.180 -8.778 1.00 0.00 N ATOM 547 CA VAL I 3 1.151 -3.909 -8.090 1.00 0.00 C ATOM 548 C VAL I 3 0.918 -2.762 -9.052 1.00 0.00 C ATOM 549 O VAL I 3 1.618 -2.663 -10.062 1.00 0.00 O ATOM 550 CB VAL I 3 2.574 -3.834 -7.548 1.00 0.00 C ATOM 551 CG1 VAL I 3 2.765 -2.493 -6.834 1.00 0.00 C ATOM 552 CG2 VAL I 3 2.808 -4.988 -6.564 1.00 0.00 C ATOM 0 H VAL I 3 1.568 -5.346 -9.566 1.00 0.00 H new ATOM 0 HA VAL I 3 0.447 -3.838 -7.261 1.00 0.00 H new ATOM 0 HB VAL I 3 3.289 -3.915 -8.367 1.00 0.00 H new ATOM 0 HG11 VAL I 3 3.780 -2.430 -6.443 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.597 -1.678 -7.539 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.054 -2.414 -6.012 1.00 0.00 H new ATOM 0 HG21 VAL I 3 3.825 -4.935 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.100 -4.911 -5.738 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.665 -5.939 -7.077 1.00 0.00 H new ATOM 562 N HIS I 4 -0.021 -1.873 -8.738 1.00 0.00 N ATOM 563 CA HIS I 4 -0.267 -0.728 -9.582 1.00 0.00 C ATOM 564 C HIS I 4 -0.034 0.569 -8.826 1.00 0.00 C ATOM 565 O HIS I 4 -0.568 0.750 -7.737 1.00 0.00 O ATOM 566 CB HIS I 4 -1.696 -0.821 -10.138 1.00 0.00 C ATOM 567 CG HIS I 4 -1.808 0.006 -11.386 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.094 -0.526 -12.655 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.683 1.341 -11.561 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.128 0.501 -13.517 1.00 0.00 C ATOM 571 NE2 HIS I 4 -1.886 1.665 -12.903 1.00 0.00 N ATOM 0 H HIS I 4 -0.615 -1.930 -7.911 1.00 0.00 H new ATOM 0 HA HIS I 4 0.435 -0.728 -10.416 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -1.945 -1.860 -10.355 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.410 -0.471 -9.393 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.459 2.051 -10.778 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.326 0.401 -14.574 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -1.856 2.593 -13.326 1.00 0.00 H new ATOM 579 N LEU I 5 0.744 1.483 -9.415 1.00 0.00 N ATOM 580 CA LEU I 5 1.021 2.777 -8.778 1.00 0.00 C ATOM 581 C LEU I 5 0.434 3.912 -9.598 1.00 0.00 C ATOM 582 O LEU I 5 0.805 4.112 -10.755 1.00 0.00 O ATOM 583 CB LEU I 5 2.537 2.978 -8.631 1.00 0.00 C ATOM 584 CG LEU I 5 2.848 4.385 -8.090 1.00 0.00 C ATOM 585 CD1 LEU I 5 2.215 4.562 -6.706 1.00 0.00 C ATOM 586 CD2 LEU I 5 4.366 4.554 -7.985 1.00 0.00 C ATOM 0 H LEU I 5 1.190 1.354 -10.323 1.00 0.00 H new ATOM 0 HA LEU I 5 0.558 2.780 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU I 5 2.945 2.225 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU I 5 3.023 2.838 -9.597 1.00 0.00 H new ATOM 0 HG LEU I 5 2.438 5.135 -8.766 1.00 0.00 H new ATOM 0 HD11 LEU I 5 2.439 5.560 -6.328 1.00 0.00 H new ATOM 0 HD12 LEU I 5 1.135 4.436 -6.781 1.00 0.00 H new ATOM 0 HD13 LEU I 5 2.620 3.816 -6.022 1.00 0.00 H new ATOM 0 HD21 LEU I 5 4.596 5.548 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU I 5 4.770 3.802 -7.307 1.00 0.00 H new ATOM 0 HD23 LEU I 5 4.815 4.432 -8.971 1.00 0.00 H new ATOM 598 N GLN I 6 -0.455 4.680 -8.975 1.00 0.00 N ATOM 599 CA GLN I 6 -1.067 5.829 -9.634 1.00 0.00 C ATOM 600 C GLN I 6 -0.966 7.039 -8.717 1.00 0.00 C ATOM 601 O GLN I 6 -1.607 7.100 -7.660 1.00 0.00 O ATOM 602 CB GLN I 6 -2.529 5.523 -9.971 1.00 0.00 C ATOM 603 CG GLN I 6 -3.130 6.688 -10.762 1.00 0.00 C ATOM 604 CD GLN I 6 -4.607 6.428 -11.036 1.00 0.00 C ATOM 605 OE1 GLN I 6 -5.415 6.341 -10.107 1.00 0.00 O ATOM 606 NE2 GLN I 6 -5.004 6.278 -12.271 1.00 0.00 N ATOM 0 H GLN I 6 -0.767 4.528 -8.016 1.00 0.00 H new ATOM 0 HA GLN I 6 -0.543 6.043 -10.566 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.594 4.604 -10.553 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -3.097 5.361 -9.055 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -3.014 7.616 -10.202 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -2.594 6.814 -11.703 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -4.332 6.351 -13.035 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.986 6.088 -12.472 1.00 0.00 H new ATOM 615 N ILE I 7 -0.131 7.996 -9.118 1.00 0.00 N ATOM 616 CA ILE I 7 0.076 9.199 -8.313 1.00 0.00 C ATOM 617 C ILE I 7 0.136 10.437 -9.201 1.00 0.00 C ATOM 618 O ILE I 7 -0.106 10.301 -10.390 1.00 0.00 O ATOM 619 CB ILE I 7 1.377 9.037 -7.502 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.611 9.070 -8.425 1.00 0.00 C ATOM 621 CG2 ILE I 7 1.342 7.680 -6.807 1.00 0.00 C ATOM 622 CD1 ILE I 7 3.905 9.057 -7.590 1.00 0.00 C ATOM 623 OXT ILE I 7 0.425 11.501 -8.681 1.00 0.00 O ATOM 0 H ILE I 7 0.407 7.964 -9.984 1.00 0.00 H new ATOM 0 HA ILE I 7 -0.762 9.330 -7.628 1.00 0.00 H new ATOM 0 HB ILE I 7 1.448 9.855 -6.785 1.00 0.00 H new ATOM 0 HG12 ILE I 7 2.595 8.211 -9.096 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.582 9.963 -9.050 1.00 0.00 H new ATOM 0 HG21 ILE I 7 2.255 7.545 -6.227 1.00 0.00 H new ATOM 0 HG22 ILE I 7 0.479 7.634 -6.142 1.00 0.00 H new ATOM 0 HG23 ILE I 7 1.267 6.890 -7.554 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.768 9.081 -8.256 1.00 0.00 H new ATOM 0 HD12 ILE I 7 3.926 9.930 -6.938 1.00 0.00 H new ATOM 0 HD13 ILE I 7 3.938 8.151 -6.985 1.00 0.00 H new ATOM 636 N ILE K 1 4.375 -11.928 -12.193 1.00 0.00 N ATOM 637 CA ILE K 1 4.249 -10.660 -11.415 1.00 0.00 C ATOM 638 C ILE K 1 4.122 -9.493 -12.382 1.00 0.00 C ATOM 639 O ILE K 1 4.997 -9.287 -13.223 1.00 0.00 O ATOM 640 CB ILE K 1 5.502 -10.469 -10.549 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.616 -11.633 -9.564 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.406 -9.158 -9.765 1.00 0.00 C ATOM 643 CD1 ILE K 1 6.981 -11.584 -8.875 1.00 0.00 C ATOM 0 H1 ILE K 1 3.731 -12.643 -11.799 1.00 0.00 H new ATOM 0 H2 ILE K 1 4.129 -11.751 -13.188 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.354 -12.275 -12.135 1.00 0.00 H new ATOM 0 HA ILE K 1 3.367 -10.706 -10.776 1.00 0.00 H new ATOM 0 HB ILE K 1 6.379 -10.437 -11.195 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.820 -11.575 -8.822 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.495 -12.581 -10.088 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.300 -9.033 -9.154 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.322 -8.323 -10.461 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.527 -9.183 -9.121 1.00 0.00 H new ATOM 0 HD11 ILE K 1 7.064 -12.413 -8.172 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.769 -11.662 -9.624 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.084 -10.641 -8.337 1.00 0.00 H new ATOM 657 N HIS K 2 3.052 -8.701 -12.246 1.00 0.00 N ATOM 658 CA HIS K 2 2.879 -7.533 -13.116 1.00 0.00 C ATOM 659 C HIS K 2 3.066 -6.267 -12.286 1.00 0.00 C ATOM 660 O HIS K 2 2.347 -6.047 -11.309 1.00 0.00 O ATOM 661 CB HIS K 2 1.454 -7.532 -13.717 1.00 0.00 C ATOM 662 CG HIS K 2 1.390 -8.366 -14.975 1.00 0.00 C ATOM 663 ND1 HIS K 2 1.096 -7.807 -16.214 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.529 -9.715 -15.199 1.00 0.00 C ATOM 665 CE1 HIS K 2 1.066 -8.809 -17.113 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.323 -9.992 -16.547 1.00 0.00 N ATOM 0 H HIS K 2 2.310 -8.842 -11.560 1.00 0.00 H new ATOM 0 HA HIS K 2 3.612 -7.570 -13.922 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.747 -7.921 -12.984 1.00 0.00 H new ATOM 0 HB3 HIS K 2 1.152 -6.509 -13.940 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.763 -10.449 -14.443 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.859 -8.673 -18.164 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.360 -10.903 -17.005 1.00 0.00 H new ATOM 674 N VAL K 3 4.002 -5.412 -12.703 1.00 0.00 N ATOM 675 CA VAL K 3 4.233 -4.141 -12.015 1.00 0.00 C ATOM 676 C VAL K 3 3.899 -2.991 -12.956 1.00 0.00 C ATOM 677 O VAL K 3 4.453 -2.913 -14.054 1.00 0.00 O ATOM 678 CB VAL K 3 5.704 -4.059 -11.568 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.980 -2.712 -10.842 1.00 0.00 C ATOM 680 CG2 VAL K 3 6.002 -5.242 -10.631 1.00 0.00 C ATOM 0 H VAL K 3 4.608 -5.575 -13.507 1.00 0.00 H new ATOM 0 HA VAL K 3 3.594 -4.075 -11.134 1.00 0.00 H new ATOM 0 HB VAL K 3 6.354 -4.108 -12.442 1.00 0.00 H new ATOM 0 HG11 VAL K 3 7.025 -2.672 -10.533 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.770 -1.884 -11.519 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.339 -2.634 -9.964 1.00 0.00 H new ATOM 0 HG21 VAL K 3 7.042 -5.196 -10.307 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.348 -5.191 -9.761 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.828 -6.179 -11.161 1.00 0.00 H new ATOM 690 N HIS K 4 3.010 -2.091 -12.532 1.00 0.00 N ATOM 691 CA HIS K 4 2.642 -0.937 -13.369 1.00 0.00 C ATOM 692 C HIS K 4 3.002 0.372 -12.657 1.00 0.00 C ATOM 693 O HIS K 4 2.612 0.581 -11.506 1.00 0.00 O ATOM 694 CB HIS K 4 1.117 -0.975 -13.680 1.00 0.00 C ATOM 695 CG HIS K 4 0.711 -2.283 -14.367 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.477 -2.965 -14.058 1.00 0.00 N ATOM 697 CD2 HIS K 4 1.314 -3.041 -15.352 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.532 -4.061 -14.834 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.530 -4.157 -15.640 1.00 0.00 N ATOM 0 H HIS K 4 2.536 -2.132 -11.630 1.00 0.00 H new ATOM 0 HA HIS K 4 3.198 -0.988 -14.305 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.554 -0.860 -12.754 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.855 -0.132 -14.319 1.00 0.00 H new ATOM 0 HD1 HIS K 4 -1.173 -2.680 -13.369 1.00 0.00 H new ATOM 0 HD2 HIS K 4 2.254 -2.804 -15.828 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.338 -4.779 -14.809 1.00 0.00 H new ATOM 706 N LEU K 5 3.716 1.270 -13.350 1.00 0.00 N ATOM 707 CA LEU K 5 4.085 2.573 -12.772 1.00 0.00 C ATOM 708 C LEU K 5 3.424 3.690 -13.561 1.00 0.00 C ATOM 709 O LEU K 5 3.635 3.821 -14.767 1.00 0.00 O ATOM 710 CB LEU K 5 5.608 2.778 -12.801 1.00 0.00 C ATOM 711 CG LEU K 5 6.344 1.631 -12.074 1.00 0.00 C ATOM 712 CD1 LEU K 5 5.751 1.437 -10.667 1.00 0.00 C ATOM 713 CD2 LEU K 5 6.252 0.315 -12.887 1.00 0.00 C ATOM 0 H LEU K 5 4.048 1.122 -14.303 1.00 0.00 H new ATOM 0 HA LEU K 5 3.746 2.591 -11.736 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.950 2.834 -13.835 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.858 3.729 -12.330 1.00 0.00 H new ATOM 0 HG LEU K 5 7.397 1.897 -11.981 1.00 0.00 H new ATOM 0 HD11 LEU K 5 6.275 0.627 -10.160 1.00 0.00 H new ATOM 0 HD12 LEU K 5 5.865 2.357 -10.094 1.00 0.00 H new ATOM 0 HD13 LEU K 5 4.693 1.190 -10.749 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.777 -0.478 -12.356 1.00 0.00 H new ATOM 0 HD22 LEU K 5 5.206 0.037 -13.012 1.00 0.00 H new ATOM 0 HD23 LEU K 5 6.708 0.460 -13.866 1.00 0.00 H new ATOM 725 N GLN K 6 2.626 4.505 -12.876 1.00 0.00 N ATOM 726 CA GLN K 6 1.943 5.619 -13.530 1.00 0.00 C ATOM 727 C GLN K 6 2.015 6.858 -12.643 1.00 0.00 C ATOM 728 O GLN K 6 1.451 6.890 -11.543 1.00 0.00 O ATOM 729 CB GLN K 6 0.483 5.233 -13.803 1.00 0.00 C ATOM 730 CG GLN K 6 -0.211 6.324 -14.624 1.00 0.00 C ATOM 731 CD GLN K 6 -1.687 5.974 -14.811 1.00 0.00 C ATOM 732 OE1 GLN K 6 -2.439 5.884 -13.838 1.00 0.00 O ATOM 733 NE2 GLN K 6 -2.149 5.756 -16.013 1.00 0.00 N ATOM 0 H GLN K 6 2.437 4.417 -11.878 1.00 0.00 H new ATOM 0 HA GLN K 6 2.430 5.844 -14.479 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.445 4.285 -14.339 1.00 0.00 H new ATOM 0 HB3 GLN K 6 -0.044 5.087 -12.860 1.00 0.00 H new ATOM 0 HG2 GLN K 6 -0.117 7.286 -14.120 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.274 6.425 -15.595 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.528 5.830 -16.819 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -3.130 5.512 -16.146 1.00 0.00 H new ATOM 742 N ILE K 7 2.731 7.876 -13.126 1.00 0.00 N ATOM 743 CA ILE K 7 2.902 9.119 -12.374 1.00 0.00 C ATOM 744 C ILE K 7 2.703 10.329 -13.291 1.00 0.00 C ATOM 745 O ILE K 7 2.546 11.422 -12.772 1.00 0.00 O ATOM 746 CB ILE K 7 4.309 9.135 -11.731 1.00 0.00 C ATOM 747 CG1 ILE K 7 5.370 9.624 -12.741 1.00 0.00 C ATOM 748 CG2 ILE K 7 4.678 7.720 -11.267 1.00 0.00 C ATOM 749 CD1 ILE K 7 6.778 9.432 -12.158 1.00 0.00 C ATOM 750 OXT ILE K 7 2.716 10.143 -14.497 1.00 0.00 O ATOM 0 H ILE K 7 3.200 7.863 -14.032 1.00 0.00 H new ATOM 0 HA ILE K 7 2.152 9.175 -11.585 1.00 0.00 H new ATOM 0 HB ILE K 7 4.289 9.817 -10.881 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.276 9.071 -13.676 1.00 0.00 H new ATOM 0 HG13 ILE K 7 5.204 10.676 -12.974 1.00 0.00 H new ATOM 0 HG21 ILE K 7 5.669 7.733 -10.814 1.00 0.00 H new ATOM 0 HG22 ILE K 7 3.949 7.376 -10.534 1.00 0.00 H new ATOM 0 HG23 ILE K 7 4.679 7.045 -12.123 1.00 0.00 H new ATOM 0 HD11 ILE K 7 7.520 9.779 -12.877 1.00 0.00 H new ATOM 0 HD12 ILE K 7 6.871 10.005 -11.235 1.00 0.00 H new ATOM 0 HD13 ILE K 7 6.944 8.375 -11.948 1.00 0.00 H new ATOM 763 N ILE O 1 -3.508 11.285 12.820 1.00 0.00 N ATOM 764 CA ILE O 1 -4.278 10.054 13.154 1.00 0.00 C ATOM 765 C ILE O 1 -3.433 8.827 12.823 1.00 0.00 C ATOM 766 O ILE O 1 -2.927 8.689 11.706 1.00 0.00 O ATOM 767 CB ILE O 1 -5.579 10.024 12.336 1.00 0.00 C ATOM 768 CG1 ILE O 1 -6.435 11.239 12.711 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.352 8.742 12.656 1.00 0.00 C ATOM 770 CD1 ILE O 1 -7.591 11.381 11.720 1.00 0.00 C ATOM 0 H1 ILE O 1 -3.817 12.065 13.434 1.00 0.00 H new ATOM 0 H2 ILE O 1 -2.493 11.110 12.966 1.00 0.00 H new ATOM 0 H3 ILE O 1 -3.675 11.540 11.826 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.523 10.051 14.216 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.345 10.051 11.272 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -6.823 11.124 13.723 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -5.825 12.142 12.704 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.275 8.719 12.077 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -5.742 7.876 12.400 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.590 8.717 13.719 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.197 12.246 11.990 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -7.193 11.516 10.714 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.207 10.482 11.749 1.00 0.00 H new ATOM 784 N HIS O 2 -3.284 7.926 13.795 1.00 0.00 N ATOM 785 CA HIS O 2 -2.526 6.724 13.582 1.00 0.00 C ATOM 786 C HIS O 2 -3.464 5.529 13.651 1.00 0.00 C ATOM 787 O HIS O 2 -4.092 5.295 14.683 1.00 0.00 O ATOM 788 CB HIS O 2 -1.505 6.646 14.734 1.00 0.00 C ATOM 789 CG HIS O 2 -0.895 5.279 14.836 1.00 0.00 C ATOM 790 ND1 HIS O 2 -0.572 4.680 16.062 1.00 0.00 N ATOM 791 CD2 HIS O 2 -0.501 4.403 13.875 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.007 3.496 15.794 1.00 0.00 C ATOM 793 NE2 HIS O 2 0.067 3.270 14.483 1.00 0.00 N ATOM 0 H HIS O 2 -3.682 8.018 14.729 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.029 6.724 12.612 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -0.720 7.385 14.576 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -1.996 6.898 15.674 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -0.737 5.074 16.988 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -0.608 4.554 12.811 1.00 0.00 H new ATOM 0 HE1 HIS O 2 0.346 2.808 16.548 1.00 0.00 H new ATOM 800 N VAL O 3 -3.513 4.735 12.578 1.00 0.00 N ATOM 801 CA VAL O 3 -4.336 3.525 12.579 1.00 0.00 C ATOM 802 C VAL O 3 -3.452 2.306 12.375 1.00 0.00 C ATOM 803 O VAL O 3 -2.771 2.204 11.354 1.00 0.00 O ATOM 804 CB VAL O 3 -5.392 3.594 11.473 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.227 2.307 11.501 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.304 4.816 11.702 1.00 0.00 C ATOM 0 H VAL O 3 -3.002 4.904 11.712 1.00 0.00 H new ATOM 0 HA VAL O 3 -4.845 3.447 13.540 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.906 3.694 10.503 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.983 2.346 10.716 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.577 1.448 11.336 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.716 2.211 12.471 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -7.055 4.863 10.913 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -6.799 4.725 12.669 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.704 5.726 11.686 1.00 0.00 H new ATOM 816 N HIS O 4 -3.480 1.370 13.320 1.00 0.00 N ATOM 817 CA HIS O 4 -2.703 0.162 13.203 1.00 0.00 C ATOM 818 C HIS O 4 -3.598 -1.070 13.190 1.00 0.00 C ATOM 819 O HIS O 4 -4.463 -1.223 14.054 1.00 0.00 O ATOM 820 CB HIS O 4 -1.688 0.117 14.359 1.00 0.00 C ATOM 821 CG HIS O 4 -0.534 -0.774 13.987 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.793 -0.327 13.878 1.00 0.00 N ATOM 823 CD2 HIS O 4 -0.509 -2.096 13.696 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.541 -1.387 13.534 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.799 -2.493 13.413 1.00 0.00 N ATOM 0 H HIS O 4 -4.036 1.435 14.172 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.165 0.162 12.255 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.328 1.122 14.579 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.169 -0.254 15.264 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.372 -2.746 13.685 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.609 -1.351 13.375 1.00 0.00 H new ATOM 0 HE2 HIS O 4 1.121 -3.429 13.166 1.00 0.00 H new ATOM 833 N LEU O 5 -3.372 -1.962 12.224 1.00 0.00 N ATOM 834 CA LEU O 5 -4.152 -3.198 12.128 1.00 0.00 C ATOM 835 C LEU O 5 -3.236 -4.394 12.316 1.00 0.00 C ATOM 836 O LEU O 5 -2.303 -4.593 11.542 1.00 0.00 O ATOM 837 CB LEU O 5 -4.835 -3.293 10.755 1.00 0.00 C ATOM 838 CG LEU O 5 -5.554 -4.647 10.592 1.00 0.00 C ATOM 839 CD1 LEU O 5 -6.662 -4.790 11.642 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.164 -4.720 9.190 1.00 0.00 C ATOM 0 H LEU O 5 -2.660 -1.853 11.501 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.916 -3.192 12.906 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -5.552 -2.480 10.644 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -4.093 -3.173 9.966 1.00 0.00 H new ATOM 0 HG LEU O 5 -4.836 -5.455 10.729 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -7.161 -5.751 11.515 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -6.227 -4.736 12.640 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -7.387 -3.985 11.518 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -6.675 -5.675 9.065 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -6.878 -3.907 9.061 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -5.374 -4.631 8.444 1.00 0.00 H new ATOM 852 N GLN O 6 -3.524 -5.202 13.328 1.00 0.00 N ATOM 853 CA GLN O 6 -2.739 -6.405 13.591 1.00 0.00 C ATOM 854 C GLN O 6 -3.693 -7.579 13.744 1.00 0.00 C ATOM 855 O GLN O 6 -4.414 -7.675 14.738 1.00 0.00 O ATOM 856 CB GLN O 6 -1.899 -6.229 14.861 1.00 0.00 C ATOM 857 CG GLN O 6 -0.998 -7.454 15.052 1.00 0.00 C ATOM 858 CD GLN O 6 -0.221 -7.339 16.359 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.814 -7.278 17.436 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.083 -7.299 16.325 1.00 0.00 N ATOM 0 H GLN O 6 -4.293 -5.048 13.980 1.00 0.00 H new ATOM 0 HA GLN O 6 -2.056 -6.589 12.762 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.293 -5.326 14.786 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.550 -6.105 15.726 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.602 -8.361 15.059 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.305 -7.539 14.215 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.572 -7.350 15.431 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.614 -7.217 17.192 1.00 0.00 H new ATOM 869 N ILE O 7 -3.716 -8.462 12.743 1.00 0.00 N ATOM 870 CA ILE O 7 -4.619 -9.618 12.779 1.00 0.00 C ATOM 871 C ILE O 7 -3.904 -10.875 12.294 1.00 0.00 C ATOM 872 O ILE O 7 -2.712 -10.795 12.043 1.00 0.00 O ATOM 873 CB ILE O 7 -5.864 -9.333 11.914 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.469 -9.159 10.439 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.505 -8.042 12.404 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.725 -9.063 9.561 1.00 0.00 C ATOM 877 OXT ILE O 7 -4.558 -11.898 12.182 1.00 0.00 O ATOM 0 H ILE O 7 -3.131 -8.403 11.910 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.935 -9.787 13.808 1.00 0.00 H new ATOM 0 HB ILE O 7 -6.557 -10.170 11.997 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -4.864 -8.260 10.321 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -4.855 -10.001 10.118 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -7.388 -7.824 11.804 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -6.795 -8.153 13.449 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -5.791 -7.223 12.311 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -6.432 -8.940 8.518 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -7.314 -9.974 9.667 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.323 -8.207 9.873 1.00 0.00 H new ATOM 890 N ILE Q 1 -0.966 11.613 8.664 1.00 0.00 N ATOM 891 CA ILE Q 1 -1.688 10.364 9.037 1.00 0.00 C ATOM 892 C ILE Q 1 -0.803 9.159 8.738 1.00 0.00 C ATOM 893 O ILE Q 1 -0.295 9.002 7.618 1.00 0.00 O ATOM 894 CB ILE Q 1 -2.992 10.261 8.227 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -3.884 11.463 8.545 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -3.739 8.978 8.600 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.057 11.499 7.564 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.289 12.395 9.269 1.00 0.00 H new ATOM 0 H2 ILE Q 1 0.057 11.475 8.794 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.161 11.843 7.669 1.00 0.00 H new ATOM 0 HA ILE Q 1 -1.926 10.385 10.101 1.00 0.00 H new ATOM 0 HB ILE Q 1 -2.749 10.245 7.164 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.253 11.395 9.568 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.308 12.386 8.475 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.661 8.913 8.022 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.111 8.114 8.380 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -3.978 8.992 9.663 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -5.693 12.355 7.789 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -4.677 11.587 6.546 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -5.637 10.581 7.657 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.631 8.285 9.734 1.00 0.00 N ATOM 912 CA HIS Q 2 0.171 7.076 9.524 1.00 0.00 C ATOM 913 C HIS Q 2 -0.751 5.861 9.570 1.00 0.00 C ATOM 914 O HIS Q 2 -1.419 5.623 10.581 1.00 0.00 O ATOM 915 CB HIS Q 2 1.234 6.954 10.640 1.00 0.00 C ATOM 916 CG HIS Q 2 2.473 7.761 10.306 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.709 7.162 10.095 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.695 9.114 10.179 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.603 8.139 9.859 1.00 0.00 C ATOM 920 NE2 HIS Q 2 4.038 9.348 9.899 1.00 0.00 N ATOM 0 H HIS Q 2 -1.024 8.386 10.670 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.672 7.130 8.557 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.815 7.300 11.585 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.504 5.907 10.776 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.940 9.879 10.281 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.651 7.966 9.661 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.493 10.250 9.755 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.753 5.060 8.500 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.559 3.837 8.472 1.00 0.00 C ATOM 930 C VAL Q 3 -0.634 2.630 8.374 1.00 0.00 C ATOM 931 O VAL Q 3 0.175 2.537 7.442 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.531 3.881 7.278 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.403 2.592 7.231 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.424 5.124 7.422 1.00 0.00 C ATOM 0 H VAL Q 3 -0.213 5.233 7.652 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.146 3.757 9.387 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.965 3.934 6.348 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -4.083 2.643 6.380 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.758 1.720 7.128 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.980 2.509 8.152 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.119 5.171 6.584 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -3.984 5.064 8.355 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.803 6.020 7.429 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.758 1.693 9.315 1.00 0.00 N ATOM 945 CA HIS Q 4 0.070 0.482 9.295 1.00 0.00 C ATOM 946 C HIS Q 4 -0.820 -0.759 9.181 1.00 0.00 C ATOM 947 O HIS Q 4 -1.753 -0.927 9.968 1.00 0.00 O ATOM 948 CB HIS Q 4 0.927 0.402 10.592 1.00 0.00 C ATOM 949 CG HIS Q 4 1.763 1.669 10.809 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.907 2.267 12.070 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.518 2.452 9.952 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.704 3.341 11.927 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.104 3.504 10.663 1.00 0.00 N ATOM 0 H HIS Q 4 -1.415 1.746 10.093 1.00 0.00 H new ATOM 0 HA HIS Q 4 0.735 0.523 8.432 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.272 0.249 11.450 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.588 -0.463 10.537 1.00 0.00 H new ATOM 0 HD1 HIS Q 4 1.483 1.945 12.940 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.637 2.276 8.893 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.987 3.995 12.739 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.513 -1.646 8.228 1.00 0.00 N ATOM 961 CA LEU Q 5 -1.281 -2.888 8.057 1.00 0.00 C ATOM 962 C LEU Q 5 -0.369 -4.073 8.308 1.00 0.00 C ATOM 963 O LEU Q 5 0.664 -4.220 7.653 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.849 -2.996 6.638 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.737 -1.785 6.292 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -3.800 -1.589 7.383 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -1.886 -0.501 6.128 1.00 0.00 C ATOM 0 H LEU Q 5 0.255 -1.530 7.567 1.00 0.00 H new ATOM 0 HA LEU Q 5 -2.109 -2.880 8.765 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -1.030 -3.065 5.922 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.431 -3.913 6.547 1.00 0.00 H new ATOM 0 HG LEU Q 5 -3.234 -1.981 5.342 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -4.425 -0.731 7.133 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -4.421 -2.482 7.451 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -3.310 -1.414 8.341 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -2.537 0.338 5.884 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -1.359 -0.293 7.059 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -1.163 -0.644 5.325 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.752 -4.925 9.254 1.00 0.00 N ATOM 980 CA GLN Q 6 0.047 -6.104 9.577 1.00 0.00 C ATOM 981 C GLN Q 6 -0.859 -7.319 9.731 1.00 0.00 C ATOM 982 O GLN Q 6 -1.727 -7.359 10.609 1.00 0.00 O ATOM 983 CB GLN Q 6 0.830 -5.853 10.869 1.00 0.00 C ATOM 984 CG GLN Q 6 1.773 -7.025 11.146 1.00 0.00 C ATOM 985 CD GLN Q 6 2.482 -6.813 12.480 1.00 0.00 C ATOM 986 OE1 GLN Q 6 1.835 -6.753 13.526 1.00 0.00 O ATOM 987 NE2 GLN Q 6 3.781 -6.685 12.505 1.00 0.00 N ATOM 0 H GLN Q 6 -1.603 -4.823 9.807 1.00 0.00 H new ATOM 0 HA GLN Q 6 0.752 -6.298 8.768 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.401 -4.928 10.784 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.140 -5.726 11.703 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.211 -7.959 11.167 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.506 -7.112 10.344 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.315 -6.735 11.638 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.262 -6.535 13.392 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.662 -8.320 8.868 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.486 -9.537 8.930 1.00 0.00 C ATOM 998 C ILE Q 7 -0.634 -10.777 8.654 1.00 0.00 C ATOM 999 O ILE Q 7 -1.124 -11.869 8.886 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.663 -9.442 7.927 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -2.235 -9.948 6.533 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.133 -7.985 7.824 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -3.295 -9.591 5.480 1.00 0.00 C ATOM 1004 OXT ILE Q 7 0.492 -10.614 8.213 1.00 0.00 O ATOM 0 H ILE Q 7 0.044 -8.317 8.132 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.899 -9.627 9.935 1.00 0.00 H new ATOM 0 HB ILE Q 7 -3.479 -10.068 8.288 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -1.278 -9.506 6.258 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -2.091 -11.028 6.560 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -3.961 -7.919 7.118 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.463 -7.639 8.804 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -2.310 -7.361 7.477 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -2.975 -9.956 4.504 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -4.244 -10.055 5.748 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -3.418 -8.509 5.440 1.00 0.00 H new ATOM 1017 N ILE S 1 1.895 11.632 4.631 1.00 0.00 N ATOM 1018 CA ILE S 1 1.145 10.382 4.945 1.00 0.00 C ATOM 1019 C ILE S 1 2.059 9.183 4.720 1.00 0.00 C ATOM 1020 O ILE S 1 2.653 9.033 3.642 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.080 10.283 4.026 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.011 11.470 4.300 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.827 8.974 4.308 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.078 11.559 3.204 1.00 0.00 C ATOM 0 H1 ILE S 1 1.522 12.414 5.206 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.903 11.495 4.845 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.783 11.860 3.622 1.00 0.00 H new ATOM 0 HA ILE S 1 0.815 10.396 5.984 1.00 0.00 H new ATOM 0 HB ILE S 1 0.241 10.299 2.984 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.486 11.353 5.274 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.435 12.395 4.335 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.697 8.904 3.655 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.164 8.129 4.121 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.152 8.957 5.348 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -2.736 12.404 3.405 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -1.595 11.697 2.237 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -2.663 10.639 3.190 1.00 0.00 H new ATOM 1038 N HIS S 2 2.166 8.315 5.734 1.00 0.00 N ATOM 1039 CA HIS S 2 2.989 7.137 5.607 1.00 0.00 C ATOM 1040 C HIS S 2 2.106 5.902 5.636 1.00 0.00 C ATOM 1041 O HIS S 2 1.415 5.662 6.625 1.00 0.00 O ATOM 1042 CB HIS S 2 3.937 7.100 6.825 1.00 0.00 C ATOM 1043 CG HIS S 2 4.616 5.760 6.933 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.831 5.092 8.153 1.00 0.00 N ATOM 1045 CD2 HIS S 2 5.172 4.969 5.977 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.496 3.965 7.882 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.735 3.831 6.580 1.00 0.00 N ATOM 0 H HIS S 2 1.695 8.416 6.633 1.00 0.00 H new ATOM 0 HA HIS S 2 3.550 7.159 4.673 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.686 7.886 6.732 1.00 0.00 H new ATOM 0 HB3 HIS S 2 3.374 7.302 7.736 1.00 0.00 H new ATOM 0 HD1 HIS S 2 4.534 5.410 9.075 1.00 0.00 H new ATOM 0 HD2 HIS S 2 5.180 5.182 4.918 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.803 3.249 8.630 1.00 0.00 H new ATOM 1054 N VAL S 3 2.177 5.083 4.586 1.00 0.00 N ATOM 1055 CA VAL S 3 1.420 3.832 4.561 1.00 0.00 C ATOM 1056 C VAL S 3 2.373 2.659 4.449 1.00 0.00 C ATOM 1057 O VAL S 3 3.118 2.570 3.473 1.00 0.00 O ATOM 1058 CB VAL S 3 0.453 3.825 3.381 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.323 2.503 3.381 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.524 5.004 3.511 1.00 0.00 C ATOM 0 H VAL S 3 2.741 5.259 3.755 1.00 0.00 H new ATOM 0 HA VAL S 3 0.849 3.746 5.486 1.00 0.00 H new ATOM 0 HB VAL S 3 1.006 3.924 2.447 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -1.017 2.489 2.541 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.375 1.671 3.289 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -0.880 2.408 4.313 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.215 4.999 2.668 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.085 4.911 4.441 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.034 5.940 3.517 1.00 0.00 H new ATOM 1070 N HIS S 4 2.334 1.743 5.414 1.00 0.00 N ATOM 1071 CA HIS S 4 3.178 0.573 5.361 1.00 0.00 C ATOM 1072 C HIS S 4 2.347 -0.701 5.333 1.00 0.00 C ATOM 1073 O HIS S 4 1.451 -0.876 6.157 1.00 0.00 O ATOM 1074 CB HIS S 4 4.142 0.605 6.559 1.00 0.00 C ATOM 1075 CG HIS S 4 5.351 -0.239 6.258 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.662 0.267 6.177 1.00 0.00 N ATOM 1077 CD2 HIS S 4 5.449 -1.570 6.024 1.00 0.00 C ATOM 1078 CE1 HIS S 4 7.469 -0.771 5.907 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.785 -1.915 5.804 1.00 0.00 N ATOM 0 H HIS S 4 1.728 1.796 6.233 1.00 0.00 H new ATOM 0 HA HIS S 4 3.761 0.580 4.440 1.00 0.00 H new ATOM 0 HB2 HIS S 4 4.445 1.631 6.767 1.00 0.00 H new ATOM 0 HB3 HIS S 4 3.640 0.233 7.452 1.00 0.00 H new ATOM 0 HD2 HIS S 4 4.619 -2.261 6.010 1.00 0.00 H new ATOM 0 HE1 HIS S 4 8.539 -0.692 5.788 1.00 0.00 H new ATOM 0 HE2 HIS S 4 7.159 -2.843 5.607 1.00 0.00 H new ATOM 1087 N LEU S 5 2.658 -1.601 4.396 1.00 0.00 N ATOM 1088 CA LEU S 5 1.937 -2.874 4.287 1.00 0.00 C ATOM 1089 C LEU S 5 2.884 -4.033 4.550 1.00 0.00 C ATOM 1090 O LEU S 5 3.870 -4.213 3.838 1.00 0.00 O ATOM 1091 CB LEU S 5 1.329 -3.018 2.881 1.00 0.00 C ATOM 1092 CG LEU S 5 0.694 -4.409 2.698 1.00 0.00 C ATOM 1093 CD1 LEU S 5 -0.450 -4.597 3.697 1.00 0.00 C ATOM 1094 CD2 LEU S 5 0.150 -4.525 1.272 1.00 0.00 C ATOM 0 H LEU S 5 3.399 -1.474 3.706 1.00 0.00 H new ATOM 0 HA LEU S 5 1.137 -2.887 5.028 1.00 0.00 H new ATOM 0 HB2 LEU S 5 0.575 -2.246 2.725 1.00 0.00 H new ATOM 0 HB3 LEU S 5 2.102 -2.865 2.128 1.00 0.00 H new ATOM 0 HG LEU S 5 1.447 -5.177 2.873 1.00 0.00 H new ATOM 0 HD11 LEU S 5 -0.894 -5.583 3.561 1.00 0.00 H new ATOM 0 HD12 LEU S 5 -0.064 -4.510 4.713 1.00 0.00 H new ATOM 0 HD13 LEU S 5 -1.208 -3.832 3.530 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -0.302 -5.507 1.134 1.00 0.00 H new ATOM 0 HD22 LEU S 5 -0.602 -3.753 1.105 1.00 0.00 H new ATOM 0 HD23 LEU S 5 0.965 -4.397 0.560 1.00 0.00 H new ATOM 1106 N GLN S 6 2.558 -4.839 5.556 1.00 0.00 N ATOM 1107 CA GLN S 6 3.367 -6.008 5.888 1.00 0.00 C ATOM 1108 C GLN S 6 2.451 -7.216 6.026 1.00 0.00 C ATOM 1109 O GLN S 6 1.646 -7.309 6.959 1.00 0.00 O ATOM 1110 CB GLN S 6 4.142 -5.763 7.188 1.00 0.00 C ATOM 1111 CG GLN S 6 5.078 -6.943 7.457 1.00 0.00 C ATOM 1112 CD GLN S 6 5.794 -6.754 8.790 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.155 -6.702 9.842 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.094 -6.634 8.802 1.00 0.00 N ATOM 0 H GLN S 6 1.742 -4.705 6.154 1.00 0.00 H new ATOM 0 HA GLN S 6 4.092 -6.194 5.095 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.717 -4.840 7.112 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.448 -5.639 8.019 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.509 -7.872 7.470 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.808 -7.028 6.652 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.618 -6.678 7.928 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.585 -6.496 9.685 1.00 0.00 H new ATOM 1123 N ILE S 7 2.553 -8.137 5.073 1.00 0.00 N ATOM 1124 CA ILE S 7 1.699 -9.325 5.089 1.00 0.00 C ATOM 1125 C ILE S 7 2.492 -10.564 4.694 1.00 0.00 C ATOM 1126 O ILE S 7 3.696 -10.445 4.529 1.00 0.00 O ATOM 1127 CB ILE S 7 0.512 -9.098 4.135 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.994 -9.044 2.679 1.00 0.00 C ATOM 1129 CG2 ILE S 7 -0.126 -7.755 4.474 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.202 -8.962 1.716 1.00 0.00 C ATOM 1131 OXT ILE S 7 1.886 -11.613 4.561 1.00 0.00 O ATOM 0 H ILE S 7 3.206 -8.089 4.291 1.00 0.00 H new ATOM 0 HA ILE S 7 1.321 -9.490 6.098 1.00 0.00 H new ATOM 0 HB ILE S 7 -0.198 -9.917 4.249 1.00 0.00 H new ATOM 0 HG12 ILE S 7 1.642 -8.179 2.537 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.589 -9.929 2.454 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.970 -7.575 3.808 1.00 0.00 H new ATOM 0 HG22 ILE S 7 -0.474 -7.768 5.507 1.00 0.00 H new ATOM 0 HG23 ILE S 7 0.610 -6.961 4.349 1.00 0.00 H new ATOM 0 HD11 ILE S 7 0.160 -8.925 0.689 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -0.835 -9.840 1.846 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -0.780 -8.063 1.930 1.00 0.00 H new ATOM 1144 N ILE U 1 4.568 11.876 0.469 1.00 0.00 N ATOM 1145 CA ILE U 1 3.868 10.615 0.846 1.00 0.00 C ATOM 1146 C ILE U 1 4.798 9.432 0.606 1.00 0.00 C ATOM 1147 O ILE U 1 5.331 9.256 -0.501 1.00 0.00 O ATOM 1148 CB ILE U 1 2.602 10.457 -0.012 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.661 11.635 0.250 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.884 9.157 0.356 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.529 11.621 -0.779 1.00 0.00 C ATOM 0 H1 ILE U 1 4.190 12.665 1.032 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.587 11.776 0.654 1.00 0.00 H new ATOM 0 H3 ILE U 1 4.417 12.068 -0.542 1.00 0.00 H new ATOM 0 HA ILE U 1 3.589 10.651 1.899 1.00 0.00 H new ATOM 0 HB ILE U 1 2.885 10.432 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE U 1 1.252 11.570 1.258 1.00 0.00 H new ATOM 0 HG13 ILE U 1 2.211 12.574 0.189 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.988 9.051 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.548 8.311 0.177 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.604 9.182 1.409 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.142 12.460 -0.593 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.948 11.706 -1.782 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.026 10.687 -0.696 1.00 0.00 H new ATOM 1165 N HIS U 2 4.981 8.597 1.636 1.00 0.00 N ATOM 1166 CA HIS U 2 5.828 7.411 1.481 1.00 0.00 C ATOM 1167 C HIS U 2 4.953 6.162 1.540 1.00 0.00 C ATOM 1168 O HIS U 2 4.268 5.928 2.540 1.00 0.00 O ATOM 1169 CB HIS U 2 6.870 7.359 2.623 1.00 0.00 C ATOM 1170 CG HIS U 2 8.090 8.191 2.289 1.00 0.00 C ATOM 1171 ND1 HIS U 2 9.351 7.623 2.129 1.00 0.00 N ATOM 1172 CD2 HIS U 2 8.273 9.544 2.124 1.00 0.00 C ATOM 1173 CE1 HIS U 2 10.218 8.622 1.883 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.615 9.812 1.868 1.00 0.00 N ATOM 0 H HIS U 2 4.567 8.715 2.560 1.00 0.00 H new ATOM 0 HA HIS U 2 6.346 7.457 0.523 1.00 0.00 H new ATOM 0 HB2 HIS U 2 6.420 7.723 3.546 1.00 0.00 H new ATOM 0 HB3 HIS U 2 7.168 6.326 2.800 1.00 0.00 H new ATOM 0 HD2 HIS U 2 7.492 10.288 2.184 1.00 0.00 H new ATOM 0 HE1 HIS U 2 11.275 8.478 1.717 1.00 0.00 H new ATOM 0 HE2 HIS U 2 10.045 10.722 1.704 1.00 0.00 H new ATOM 1182 N VAL U 3 5.012 5.334 0.493 1.00 0.00 N ATOM 1183 CA VAL U 3 4.257 4.078 0.477 1.00 0.00 C ATOM 1184 C VAL U 3 5.233 2.907 0.434 1.00 0.00 C ATOM 1185 O VAL U 3 6.073 2.826 -0.471 1.00 0.00 O ATOM 1186 CB VAL U 3 3.320 4.052 -0.743 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.503 2.730 -0.783 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.375 5.260 -0.656 1.00 0.00 C ATOM 0 H VAL U 3 5.567 5.507 -0.345 1.00 0.00 H new ATOM 0 HA VAL U 3 3.649 3.998 1.378 1.00 0.00 H new ATOM 0 HB VAL U 3 3.910 4.104 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL U 3 1.847 2.734 -1.654 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.185 1.882 -0.846 1.00 0.00 H new ATOM 0 HG13 VAL U 3 1.903 2.646 0.123 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.702 5.258 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.792 5.200 0.263 1.00 0.00 H new ATOM 0 HG23 VAL U 3 2.960 6.180 -0.655 1.00 0.00 H new ATOM 1198 N HIS U 4 5.118 1.989 1.394 1.00 0.00 N ATOM 1199 CA HIS U 4 5.997 0.811 1.426 1.00 0.00 C ATOM 1200 C HIS U 4 5.164 -0.470 1.309 1.00 0.00 C ATOM 1201 O HIS U 4 4.217 -0.663 2.074 1.00 0.00 O ATOM 1202 CB HIS U 4 6.811 0.798 2.753 1.00 0.00 C ATOM 1203 CG HIS U 4 7.598 2.098 2.957 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.696 2.736 4.205 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.349 2.880 2.095 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.463 3.828 4.047 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.887 3.968 2.790 1.00 0.00 N ATOM 0 H HIS U 4 4.436 2.033 2.151 1.00 0.00 H new ATOM 0 HA HIS U 4 6.688 0.859 0.584 1.00 0.00 H new ATOM 0 HB2 HIS U 4 6.132 0.649 3.593 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.501 -0.046 2.747 1.00 0.00 H new ATOM 0 HD1 HIS U 4 7.263 2.426 5.075 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.497 2.680 1.044 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.708 4.513 4.845 1.00 0.00 H new ATOM 1214 N LEU U 5 5.536 -1.364 0.381 1.00 0.00 N ATOM 1215 CA LEU U 5 4.825 -2.642 0.217 1.00 0.00 C ATOM 1216 C LEU U 5 5.772 -3.788 0.524 1.00 0.00 C ATOM 1217 O LEU U 5 6.813 -3.930 -0.114 1.00 0.00 O ATOM 1218 CB LEU U 5 4.291 -2.808 -1.215 1.00 0.00 C ATOM 1219 CG LEU U 5 3.361 -1.641 -1.612 1.00 0.00 C ATOM 1220 CD1 LEU U 5 2.270 -1.455 -0.545 1.00 0.00 C ATOM 1221 CD2 LEU U 5 4.161 -0.329 -1.795 1.00 0.00 C ATOM 0 H LEU U 5 6.317 -1.229 -0.262 1.00 0.00 H new ATOM 0 HA LEU U 5 3.979 -2.648 0.905 1.00 0.00 H new ATOM 0 HB2 LEU U 5 5.127 -2.861 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU U 5 3.749 -3.750 -1.295 1.00 0.00 H new ATOM 0 HG LEU U 5 2.892 -1.885 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU U 5 1.618 -0.630 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU U 5 1.683 -2.370 -0.461 1.00 0.00 H new ATOM 0 HD13 LEU U 5 2.735 -1.233 0.416 1.00 0.00 H new ATOM 0 HD21 LEU U 5 3.481 0.476 -2.074 1.00 0.00 H new ATOM 0 HD22 LEU U 5 4.661 -0.074 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU U 5 4.906 -0.463 -2.579 1.00 0.00 H new ATOM 1233 N GLN U 6 5.404 -4.612 1.503 1.00 0.00 N ATOM 1234 CA GLN U 6 6.234 -5.754 1.884 1.00 0.00 C ATOM 1235 C GLN U 6 5.362 -6.988 2.063 1.00 0.00 C ATOM 1236 O GLN U 6 4.498 -7.034 2.946 1.00 0.00 O ATOM 1237 CB GLN U 6 6.977 -5.432 3.185 1.00 0.00 C ATOM 1238 CG GLN U 6 7.947 -6.565 3.530 1.00 0.00 C ATOM 1239 CD GLN U 6 8.617 -6.286 4.874 1.00 0.00 C ATOM 1240 OE1 GLN U 6 7.946 -6.223 5.908 1.00 0.00 O ATOM 1241 NE2 GLN U 6 9.909 -6.100 4.919 1.00 0.00 N ATOM 0 H GLN U 6 4.544 -4.512 2.043 1.00 0.00 H new ATOM 0 HA GLN U 6 6.963 -5.954 1.099 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.523 -4.495 3.079 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.263 -5.294 3.997 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.412 -7.514 3.571 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.702 -6.659 2.750 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.462 -6.152 4.063 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.365 -5.902 5.810 1.00 0.00 H new ATOM 1250 N ILE U 7 5.580 -7.995 1.212 1.00 0.00 N ATOM 1251 CA ILE U 7 4.790 -9.231 1.286 1.00 0.00 C ATOM 1252 C ILE U 7 5.687 -10.455 1.097 1.00 0.00 C ATOM 1253 O ILE U 7 5.226 -11.551 1.375 1.00 0.00 O ATOM 1254 CB ILE U 7 3.665 -9.202 0.223 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.172 -9.736 -1.131 1.00 0.00 C ATOM 1256 CG2 ILE U 7 3.163 -7.764 0.041 1.00 0.00 C ATOM 1257 CD1 ILE U 7 3.145 -9.441 -2.237 1.00 0.00 C ATOM 1258 OXT ILE U 7 6.819 -10.278 0.677 1.00 0.00 O ATOM 0 H ILE U 7 6.285 -7.982 0.475 1.00 0.00 H new ATOM 0 HA ILE U 7 4.334 -9.300 2.273 1.00 0.00 H new ATOM 0 HB ILE U 7 2.852 -9.840 0.569 1.00 0.00 H new ATOM 0 HG12 ILE U 7 5.127 -9.272 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE U 7 4.347 -10.810 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE U 7 2.371 -7.747 -0.708 1.00 0.00 H new ATOM 0 HG22 ILE U 7 2.774 -7.392 0.989 1.00 0.00 H new ATOM 0 HG23 ILE U 7 3.987 -7.130 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE U 7 3.515 -9.823 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE U 7 2.199 -9.926 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE U 7 2.992 -8.365 -2.313 1.00 0.00 H new ATOM 1271 N ILE W 1 7.504 11.858 -3.506 1.00 0.00 N ATOM 1272 CA ILE W 1 6.766 10.601 -3.192 1.00 0.00 C ATOM 1273 C ILE W 1 7.710 9.420 -3.352 1.00 0.00 C ATOM 1274 O ILE W 1 8.328 9.254 -4.407 1.00 0.00 O ATOM 1275 CB ILE W 1 5.592 10.447 -4.165 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.618 11.613 -3.963 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.872 9.122 -3.888 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.612 11.659 -5.119 1.00 0.00 C ATOM 0 H1 ILE W 1 7.094 12.646 -2.965 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.505 11.746 -3.249 1.00 0.00 H new ATOM 0 H3 ILE W 1 7.428 12.060 -4.523 1.00 0.00 H new ATOM 0 HA ILE W 1 6.390 10.638 -2.170 1.00 0.00 H new ATOM 0 HB ILE W 1 5.959 10.450 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE W 1 4.091 11.498 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE W 1 5.168 12.553 -3.910 1.00 0.00 H new ATOM 0 HG21 ILE W 1 4.036 9.011 -4.579 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.568 8.294 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.499 9.118 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.923 12.490 -4.969 1.00 0.00 H new ATOM 0 HD12 ILE W 1 4.145 11.795 -6.060 1.00 0.00 H new ATOM 0 HD13 ILE W 1 3.052 10.725 -5.151 1.00 0.00 H new ATOM 1292 N HIS W 2 7.813 8.585 -2.312 1.00 0.00 N ATOM 1293 CA HIS W 2 8.670 7.423 -2.389 1.00 0.00 C ATOM 1294 C HIS W 2 7.827 6.158 -2.358 1.00 0.00 C ATOM 1295 O HIS W 2 7.116 5.911 -1.385 1.00 0.00 O ATOM 1296 CB HIS W 2 9.594 7.431 -1.151 1.00 0.00 C ATOM 1297 CG HIS W 2 10.343 6.130 -1.050 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.621 5.480 0.167 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.896 5.357 -2.021 1.00 0.00 C ATOM 1300 CE1 HIS W 2 11.316 4.370 -0.126 1.00 0.00 C ATOM 1301 NE2 HIS W 2 11.515 4.244 -1.442 1.00 0.00 N ATOM 0 H HIS W 2 7.319 8.698 -1.427 1.00 0.00 H new ATOM 0 HA HIS W 2 9.249 7.447 -3.312 1.00 0.00 H new ATOM 0 HB2 HIS W 2 10.299 8.260 -1.220 1.00 0.00 H new ATOM 0 HB3 HIS W 2 9.003 7.589 -0.249 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.863 5.570 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.671 3.665 0.611 1.00 0.00 H new ATOM 0 HE2 HIS W 2 12.013 3.495 -1.922 1.00 0.00 H new ATOM 1308 N VAL W 3 7.959 5.323 -3.389 1.00 0.00 N ATOM 1309 CA VAL W 3 7.253 4.045 -3.419 1.00 0.00 C ATOM 1310 C VAL W 3 8.258 2.911 -3.478 1.00 0.00 C ATOM 1311 O VAL W 3 9.035 2.835 -4.430 1.00 0.00 O ATOM 1312 CB VAL W 3 6.341 3.986 -4.639 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.611 2.638 -4.647 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.323 5.134 -4.582 1.00 0.00 C ATOM 0 H VAL W 3 8.542 5.507 -4.206 1.00 0.00 H new ATOM 0 HA VAL W 3 6.649 3.947 -2.517 1.00 0.00 H new ATOM 0 HB VAL W 3 6.932 4.088 -5.549 1.00 0.00 H new ATOM 0 HG11 VAL W 3 4.955 2.585 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.341 1.829 -4.693 1.00 0.00 H new ATOM 0 HG13 VAL W 3 5.017 2.540 -3.738 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.673 5.088 -5.456 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.722 5.042 -3.678 1.00 0.00 H new ATOM 0 HG23 VAL W 3 5.850 6.088 -4.572 1.00 0.00 H new ATOM 1324 N HIS W 4 8.225 2.005 -2.502 1.00 0.00 N ATOM 1325 CA HIS W 4 9.120 0.869 -2.514 1.00 0.00 C ATOM 1326 C HIS W 4 8.339 -0.434 -2.553 1.00 0.00 C ATOM 1327 O HIS W 4 7.439 -0.636 -1.744 1.00 0.00 O ATOM 1328 CB HIS W 4 10.043 0.945 -1.286 1.00 0.00 C ATOM 1329 CG HIS W 4 11.282 0.133 -1.533 1.00 0.00 C ATOM 1330 ND1 HIS W 4 12.584 0.662 -1.500 1.00 0.00 N ATOM 1331 CD2 HIS W 4 11.420 -1.185 -1.825 1.00 0.00 C ATOM 1332 CE1 HIS W 4 13.427 -0.349 -1.771 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.771 -1.497 -1.976 1.00 0.00 N ATOM 0 H HIS W 4 7.591 2.042 -1.704 1.00 0.00 H new ATOM 0 HA HIS W 4 9.734 0.895 -3.414 1.00 0.00 H new ATOM 0 HB2 HIS W 4 10.311 1.982 -1.084 1.00 0.00 H new ATOM 0 HB3 HIS W 4 9.522 0.572 -0.404 1.00 0.00 H new ATOM 0 HD2 HIS W 4 10.606 -1.887 -1.925 1.00 0.00 H new ATOM 0 HE1 HIS W 4 14.501 -0.247 -1.818 1.00 0.00 H new ATOM 0 HE2 HIS W 4 13.174 -2.408 -2.196 1.00 0.00 H new ATOM 1341 N LEU W 5 8.698 -1.332 -3.479 1.00 0.00 N ATOM 1342 CA LEU W 5 8.018 -2.628 -3.592 1.00 0.00 C ATOM 1343 C LEU W 5 8.977 -3.765 -3.283 1.00 0.00 C ATOM 1344 O LEU W 5 9.992 -3.939 -3.962 1.00 0.00 O ATOM 1345 CB LEU W 5 7.449 -2.808 -5.008 1.00 0.00 C ATOM 1346 CG LEU W 5 6.853 -4.217 -5.180 1.00 0.00 C ATOM 1347 CD1 LEU W 5 5.708 -4.426 -4.185 1.00 0.00 C ATOM 1348 CD2 LEU W 5 6.323 -4.363 -6.610 1.00 0.00 C ATOM 0 H LEU W 5 9.448 -1.187 -4.155 1.00 0.00 H new ATOM 0 HA LEU W 5 7.202 -2.648 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU W 5 6.681 -2.058 -5.195 1.00 0.00 H new ATOM 0 HB3 LEU W 5 8.236 -2.648 -5.745 1.00 0.00 H new ATOM 0 HG LEU W 5 7.625 -4.963 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU W 5 5.292 -5.425 -4.314 1.00 0.00 H new ATOM 0 HD12 LEU W 5 6.085 -4.318 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU W 5 4.930 -3.684 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU W 5 5.899 -5.358 -6.741 1.00 0.00 H new ATOM 0 HD22 LEU W 5 5.552 -3.614 -6.791 1.00 0.00 H new ATOM 0 HD23 LEU W 5 7.140 -4.221 -7.317 1.00 0.00 H new ATOM 1360 N GLN W 6 8.628 -4.557 -2.274 1.00 0.00 N ATOM 1361 CA GLN W 6 9.438 -5.709 -1.890 1.00 0.00 C ATOM 1362 C GLN W 6 8.537 -6.926 -1.753 1.00 0.00 C ATOM 1363 O GLN W 6 7.692 -7.001 -0.852 1.00 0.00 O ATOM 1364 CB GLN W 6 10.169 -5.421 -0.575 1.00 0.00 C ATOM 1365 CG GLN W 6 11.088 -6.596 -0.227 1.00 0.00 C ATOM 1366 CD GLN W 6 11.768 -6.351 1.116 1.00 0.00 C ATOM 1367 OE1 GLN W 6 11.103 -6.276 2.152 1.00 0.00 O ATOM 1368 NE2 GLN W 6 13.064 -6.197 1.151 1.00 0.00 N ATOM 0 H GLN W 6 7.790 -4.423 -1.708 1.00 0.00 H new ATOM 0 HA GLN W 6 10.187 -5.907 -2.656 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.753 -4.505 -0.665 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.447 -5.262 0.226 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.511 -7.520 -0.188 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.840 -6.723 -1.006 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.609 -6.260 0.291 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.532 -6.014 2.039 1.00 0.00 H new ATOM 1377 N ILE W 7 8.704 -7.874 -2.673 1.00 0.00 N ATOM 1378 CA ILE W 7 7.881 -9.080 -2.668 1.00 0.00 C ATOM 1379 C ILE W 7 8.724 -10.309 -2.990 1.00 0.00 C ATOM 1380 O ILE W 7 9.932 -10.163 -3.097 1.00 0.00 O ATOM 1381 CB ILE W 7 6.743 -8.911 -3.690 1.00 0.00 C ATOM 1382 CG1 ILE W 7 7.289 -8.913 -5.133 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.071 -7.562 -3.442 1.00 0.00 C ATOM 1384 CD1 ILE W 7 6.128 -8.893 -6.146 1.00 0.00 C ATOM 1385 OXT ILE W 7 8.150 -11.375 -3.129 1.00 0.00 O ATOM 0 H ILE W 7 9.394 -7.831 -3.423 1.00 0.00 H new ATOM 0 HA ILE W 7 7.455 -9.227 -1.675 1.00 0.00 H new ATOM 0 HB ILE W 7 6.043 -9.738 -3.573 1.00 0.00 H new ATOM 0 HG12 ILE W 7 7.930 -8.045 -5.287 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.906 -9.797 -5.294 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.260 -7.422 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE W 7 5.670 -7.536 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE W 7 6.803 -6.763 -3.563 1.00 0.00 H new ATOM 0 HD11 ILE W 7 6.529 -8.895 -7.159 1.00 0.00 H new ATOM 0 HD12 ILE W 7 5.504 -9.775 -6.001 1.00 0.00 H new ATOM 0 HD13 ILE W 7 5.528 -7.995 -5.995 1.00 0.00 H new ATOM 1398 N ILE Y 1 10.117 11.999 -7.557 1.00 0.00 N ATOM 1399 CA ILE Y 1 9.425 10.713 -7.252 1.00 0.00 C ATOM 1400 C ILE Y 1 10.410 9.565 -7.411 1.00 0.00 C ATOM 1401 O ILE Y 1 10.988 9.387 -8.484 1.00 0.00 O ATOM 1402 CB ILE Y 1 8.257 10.521 -8.233 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 7.256 11.665 -8.058 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.548 9.193 -7.961 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 6.229 11.619 -9.192 1.00 0.00 C ATOM 0 H1 ILE Y 1 9.633 12.778 -7.068 1.00 0.00 H new ATOM 0 H2 ILE Y 1 11.104 11.947 -7.233 1.00 0.00 H new ATOM 0 H3 ILE Y 1 10.098 12.169 -8.583 1.00 0.00 H new ATOM 0 HA ILE Y 1 9.046 10.732 -6.230 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.648 10.516 -9.250 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.754 11.580 -7.094 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.777 12.623 -8.063 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.723 9.070 -8.663 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 8.254 8.372 -8.084 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 7.161 9.189 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 5.515 12.433 -9.069 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.739 11.725 -10.149 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.701 10.666 -9.166 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.577 8.756 -6.360 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.478 7.603 -6.447 1.00 0.00 C ATOM 1421 C HIS Y 2 10.643 6.325 -6.433 1.00 0.00 C ATOM 1422 O HIS Y 2 9.898 6.079 -5.484 1.00 0.00 O ATOM 1423 CB HIS Y 2 12.430 7.589 -5.230 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.649 8.446 -5.478 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.929 7.908 -5.521 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.808 9.802 -5.653 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.791 8.925 -5.710 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 15.160 10.099 -5.797 1.00 0.00 N ATOM 0 H HIS Y 2 10.112 8.873 -5.460 1.00 0.00 H new ATOM 0 HA HIS Y 2 12.063 7.667 -7.365 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.902 7.951 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.739 6.565 -5.019 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 13.006 10.525 -5.675 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.862 8.806 -5.782 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 15.580 11.018 -5.939 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.806 5.491 -7.461 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.096 4.211 -7.522 1.00 0.00 C ATOM 1438 C VAL Y 3 11.107 3.071 -7.475 1.00 0.00 C ATOM 1439 O VAL Y 3 12.012 3.017 -8.307 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.269 4.140 -8.820 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.511 2.786 -8.917 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.270 5.312 -8.833 1.00 0.00 C ATOM 0 H VAL Y 3 11.417 5.675 -8.256 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.421 4.123 -6.671 1.00 0.00 H new ATOM 0 HB VAL Y 3 9.936 4.211 -9.679 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 7.934 2.758 -9.841 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.229 1.966 -8.912 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 7.838 2.684 -8.066 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.677 5.275 -9.747 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.610 5.237 -7.969 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.815 6.255 -8.792 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.953 2.149 -6.521 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.871 1.000 -6.419 1.00 0.00 C ATOM 1454 C HIS Y 4 11.105 -0.314 -6.595 1.00 0.00 C ATOM 1455 O HIS Y 4 10.107 -0.546 -5.911 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.591 1.006 -5.041 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.308 2.332 -4.772 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 13.284 2.960 -3.516 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 14.088 3.146 -5.570 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 14.019 4.083 -3.611 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.531 4.246 -4.834 1.00 0.00 N ATOM 0 H HIS Y 4 10.216 2.169 -5.817 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.615 1.085 -7.211 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.863 0.821 -4.251 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.313 0.190 -5.006 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.320 2.959 -6.608 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 14.177 4.772 -2.794 1.00 0.00 H new ATOM 0 HE2 HIS Y 4 15.120 5.012 -5.161 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.588 -1.190 -7.485 1.00 0.00 N ATOM 1469 CA LEU Y 5 10.948 -2.497 -7.705 1.00 0.00 C ATOM 1470 C LEU Y 5 11.901 -3.608 -7.300 1.00 0.00 C ATOM 1471 O LEU Y 5 13.003 -3.720 -7.837 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.569 -2.682 -9.182 1.00 0.00 C ATOM 1473 CG LEU Y 5 9.660 -1.536 -9.675 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 8.462 -1.371 -8.724 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 10.452 -0.208 -9.781 1.00 0.00 C ATOM 0 H LEU Y 5 12.413 -1.022 -8.061 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.043 -2.537 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 11.473 -2.719 -9.790 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 10.058 -3.636 -9.312 1.00 0.00 H new ATOM 0 HG LEU Y 5 9.293 -1.790 -10.669 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 7.825 -0.561 -9.078 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 7.889 -2.298 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 8.822 -1.138 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 9.789 0.584 -10.130 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 10.850 0.058 -8.802 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 11.274 -0.330 -10.486 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.472 -4.440 -6.353 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.304 -5.550 -5.894 1.00 0.00 C ATOM 1489 C GLN Y 6 11.449 -6.803 -5.747 1.00 0.00 C ATOM 1490 O GLN Y 6 10.543 -6.863 -4.909 1.00 0.00 O ATOM 1491 CB GLN Y 6 12.958 -5.175 -4.556 1.00 0.00 C ATOM 1492 CG GLN Y 6 13.948 -6.261 -4.123 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.527 -5.919 -2.749 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 13.795 -5.831 -1.764 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 15.809 -5.706 -2.625 1.00 0.00 N ATOM 0 H GLN Y 6 10.564 -4.369 -5.893 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.089 -5.752 -6.622 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.475 -4.220 -4.651 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.191 -5.048 -3.792 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.447 -7.228 -4.086 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 14.751 -6.346 -4.855 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.419 -5.778 -3.439 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.201 -5.468 -1.714 1.00 0.00 H new ATOM 1504 N ILE Y 7 11.732 -7.803 -6.588 1.00 0.00 N ATOM 1505 CA ILE Y 7 10.977 -9.057 -6.573 1.00 0.00 C ATOM 1506 C ILE Y 7 11.931 -10.253 -6.644 1.00 0.00 C ATOM 1507 O ILE Y 7 11.487 -11.356 -6.372 1.00 0.00 O ATOM 1508 CB ILE Y 7 9.985 -9.069 -7.760 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 10.680 -9.533 -9.058 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.427 -7.655 -7.974 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 9.741 -9.337 -10.257 1.00 0.00 C ATOM 1512 OXT ILE Y 7 13.088 -10.044 -6.972 1.00 0.00 O ATOM 0 H ILE Y 7 12.476 -7.768 -7.285 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.415 -9.134 -5.642 1.00 0.00 H new ATOM 0 HB ILE Y 7 9.179 -9.764 -7.524 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 11.599 -8.968 -9.210 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 10.961 -10.583 -8.974 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.728 -7.662 -8.810 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 8.910 -7.327 -7.072 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 10.246 -6.970 -8.192 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 10.240 -9.667 -11.168 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 8.834 -9.922 -10.108 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 9.482 -8.282 -10.347 1.00 0.00 H new