USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=21 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= -0.628 X(o=-2.7,f=-2.5) USER MOD Set 1.2: O 4 HIS : no HD1:sc= -0.337 X(o=-2.7,f=-2.7) USER MOD Set 1.3: Q 2 HIS : no HD1:sc= -0.434 K(o=-2.7,f=-4) USER MOD Set 1.4: Q 4 HIS : no HE2:sc= 0 X(o=-2.7,f=-2.6) USER MOD Set 1.5: S 2 HIS : no HE2:sc= -0.399 K(o=-2.7,f=-5.1) USER MOD Set 1.6: S 4 HIS : no HD1:sc= -0.207 K(o=-2.7,f=-2.2) USER MOD Set 1.7: U 2 HIS : no HD1:sc= -0.855 K(o=-2.7,f=-3.3) USER MOD Set 1.8: U 4 HIS : no HD1:sc= 0 X(o=-2.7,f=-2.4) USER MOD Set 1.9: W 2 HIS : no HD1:sc= -0.0631 K(o=-2.7,f=-9.5!) USER MOD Set 1.10: W 4 HIS : no HD1:sc= -0.35 K(o=-2.7,f=-2.1) USER MOD Set 1.11: Y 2 HIS : no HD1:sc= 0 K(o=-2.7,f=-2.2) USER MOD Set 1.12: Y 4 HIS : no HD1:sc= 0.527 K(o=-2.7,f=-6.9) USER MOD Set 2.1: O 6 GLN : amide:sc= 1.03 K(o=4.5,f=2.6) USER MOD Set 2.2: Q 6 GLN : amide:sc= 1.27 K(o=4.5,f=-1.2!) USER MOD Set 2.3: S 6 GLN : amide:sc= 0.545 K(o=4.5,f=-5.5!) USER MOD Set 2.4: U 6 GLN : amide:sc= 0.487 K(o=4.5,f=-7.5!) USER MOD Set 2.5: W 6 GLN : amide:sc= 0.911 K(o=4.5,f=-6.9!) USER MOD Set 2.6: Y 6 GLN : amide:sc= 0.285 K(o=4.5,f=-10!) USER MOD Set 3.1: A 6 GLN : amide:sc= 1.18 K(o=4.1,f=1.9) USER MOD Set 3.2: C 6 GLN : amide:sc= 1.43 K(o=4.1,f=-2.3!) USER MOD Set 3.3: E 6 GLN : amide:sc= 0.618 K(o=4.1,f=-5.9!) USER MOD Set 3.4: G 6 GLN : amide:sc= 0.672 K(o=4.1,f=-4.4!) USER MOD Set 3.5: I 6 GLN : amide:sc= 0.208 K(o=4.1,f=-5!) USER MOD Set 3.6: K 6 GLN : amide:sc= 0.0211 K(o=4.1,f=-6!) USER MOD Set 4.1: A 2 HIS : no HE2:sc= -0.521 X(o=-2.8,f=-3.2) USER MOD Set 4.2: A 4 HIS : no HD1:sc= -0.403 K(o=-2.8,f=-3.3) USER MOD Set 4.3: C 2 HIS : no HD1:sc= -0.537 K(o=-2.8,f=-3.7) USER MOD Set 4.4: C 4 HIS : no HE2:sc= 0 X(o=-2.8,f=-2.9) USER MOD Set 4.5: E 2 HIS : no HE2:sc= -0.483 K(o=-2.8,f=-4) USER MOD Set 4.6: E 4 HIS : no HD1:sc= -0.183 X(o=-2.8,f=-2.7) USER MOD Set 4.7: G 2 HIS : no HD1:sc=-0.00359 K(o=-2.8,f=-3.7) USER MOD Set 4.8: G 4 HIS : no HE2:sc= 0 X(o=-2.8,f=-2.8) USER MOD Set 4.9: I 2 HIS : no HE2:sc= -0.519 K(o=-2.8,f=-4.6) USER MOD Set 4.10: I 4 HIS : no HD1:sc= -0.202 X(o=-2.8,f=-2.7) USER MOD Set 4.11: K 2 HIS : no HD1:sc= 0 X(o=-2.8,f=-2.7) USER MOD Set 4.12: K 4 HIS : no HE2:sc= 0.024 X(o=-2.8,f=-3.1) USER MOD Single : A 1 ILE N :NH3+ -155:sc= -0.0846 (180deg=-0.587) USER MOD Single : C 1 ILE N :NH3+ -135:sc= -0.181 (180deg=-1.06) USER MOD Single : E 1 ILE N :NH3+ -152:sc= -0.123 (180deg=-0.726) USER MOD Single : G 1 ILE N :NH3+ -153:sc= -0.18 (180deg=-0.801) USER MOD Single : I 1 ILE N :NH3+ -153:sc= -0.156 (180deg=-0.738) USER MOD Single : K 1 ILE N :NH3+ -154:sc= -0.0993 (180deg=-0.779) USER MOD Single : O 1 ILE N :NH3+ -155:sc= -0.0607 (180deg=-0.571) USER MOD Single : Q 1 ILE N :NH3+ -137:sc= -0.131 (180deg=-0.89) USER MOD Single : S 1 ILE N :NH3+ -152:sc= -0.082 (180deg=-0.696) USER MOD Single : U 1 ILE N :NH3+ -129:sc= -0.129 (180deg=-0.85) USER MOD Single : W 1 ILE N :NH3+ -129:sc= -0.111 (180deg=-0.803) USER MOD Single : Y 1 ILE N :NH3+ -154:sc= -0.142 (180deg=-0.815) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -11.189 -11.786 7.406 1.00 0.00 N ATOM 2 CA ILE A 1 -11.401 -10.537 8.186 1.00 0.00 C ATOM 3 C ILE A 1 -11.353 -9.328 7.254 1.00 0.00 C ATOM 4 O ILE A 1 -10.494 -9.226 6.368 1.00 0.00 O ATOM 5 CB ILE A 1 -10.322 -10.416 9.270 1.00 0.00 C ATOM 6 CG1 ILE A 1 -10.551 -11.493 10.334 1.00 0.00 C ATOM 7 CG2 ILE A 1 -10.398 -9.036 9.922 1.00 0.00 C ATOM 8 CD1 ILE A 1 -9.346 -11.561 11.277 1.00 0.00 C ATOM 0 H1 ILE A 1 -11.624 -12.587 7.908 1.00 0.00 H new ATOM 0 H2 ILE A 1 -11.626 -11.687 6.467 1.00 0.00 H new ATOM 0 H3 ILE A 1 -10.169 -11.958 7.297 1.00 0.00 H new ATOM 0 HA ILE A 1 -12.380 -10.572 8.664 1.00 0.00 H new ATOM 0 HB ILE A 1 -9.339 -10.548 8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -11.455 -11.270 10.901 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -10.705 -12.461 9.857 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -9.630 -8.954 10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -10.238 -8.267 9.166 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -11.380 -8.901 10.374 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -9.517 -12.329 12.031 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -8.450 -11.806 10.706 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -9.212 -10.596 11.766 1.00 0.00 H new ATOM 22 N HIS A 2 -12.287 -8.404 7.467 1.00 0.00 N ATOM 23 CA HIS A 2 -12.350 -7.207 6.674 1.00 0.00 C ATOM 24 C HIS A 2 -12.042 -6.002 7.554 1.00 0.00 C ATOM 25 O HIS A 2 -12.742 -5.753 8.536 1.00 0.00 O ATOM 26 CB HIS A 2 -13.795 -7.125 6.146 1.00 0.00 C ATOM 27 CG HIS A 2 -14.108 -5.769 5.590 1.00 0.00 C ATOM 28 ND1 HIS A 2 -15.401 -5.230 5.613 1.00 0.00 N ATOM 29 CD2 HIS A 2 -13.330 -4.854 4.951 1.00 0.00 C ATOM 30 CE1 HIS A 2 -15.352 -4.043 4.997 1.00 0.00 C ATOM 31 NE2 HIS A 2 -14.123 -3.757 4.571 1.00 0.00 N ATOM 0 H HIS A 2 -13.006 -8.474 8.187 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.630 -7.219 5.856 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -13.942 -7.878 5.372 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -14.491 -7.357 6.953 1.00 0.00 H new ATOM 0 HD1 HIS A 2 -16.228 -5.663 6.024 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.271 -4.954 4.765 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -16.206 -3.395 4.862 1.00 0.00 H new ATOM 38 N VAL A 3 -11.025 -5.228 7.173 1.00 0.00 N ATOM 39 CA VAL A 3 -10.676 -4.015 7.916 1.00 0.00 C ATOM 40 C VAL A 3 -10.843 -2.813 7.022 1.00 0.00 C ATOM 41 O VAL A 3 -10.208 -2.723 5.965 1.00 0.00 O ATOM 42 CB VAL A 3 -9.232 -4.092 8.400 1.00 0.00 C ATOM 43 CG1 VAL A 3 -8.884 -2.802 9.158 1.00 0.00 C ATOM 44 CG2 VAL A 3 -9.065 -5.320 9.322 1.00 0.00 C ATOM 0 H VAL A 3 -10.434 -5.416 6.363 1.00 0.00 H new ATOM 0 HA VAL A 3 -11.335 -3.925 8.779 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.558 -4.197 7.550 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.852 -2.852 9.506 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.002 -1.946 8.493 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.551 -2.691 10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.033 -5.377 9.669 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -9.731 -5.225 10.179 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.312 -6.226 8.769 1.00 0.00 H new ATOM 54 N HIS A 4 -11.689 -1.869 7.444 1.00 0.00 N ATOM 55 CA HIS A 4 -11.925 -0.669 6.683 1.00 0.00 C ATOM 56 C HIS A 4 -11.531 0.588 7.451 1.00 0.00 C ATOM 57 O HIS A 4 -11.916 0.769 8.603 1.00 0.00 O ATOM 58 CB HIS A 4 -13.407 -0.637 6.270 1.00 0.00 C ATOM 59 CG HIS A 4 -13.581 0.266 5.082 1.00 0.00 C ATOM 60 ND1 HIS A 4 -13.965 -0.177 3.802 1.00 0.00 N ATOM 61 CD2 HIS A 4 -13.419 1.603 4.982 1.00 0.00 C ATOM 62 CE1 HIS A 4 -14.013 0.904 3.008 1.00 0.00 C ATOM 63 NE2 HIS A 4 -13.693 2.018 3.676 1.00 0.00 N ATOM 0 H HIS A 4 -12.217 -1.926 8.315 1.00 0.00 H new ATOM 0 HA HIS A 4 -11.295 -0.683 5.794 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -13.749 -1.643 6.028 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -14.019 -0.284 7.100 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -13.122 2.254 5.791 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -14.277 0.878 1.961 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.657 2.969 3.310 1.00 0.00 H new ATOM 71 N LEU A 5 -10.781 1.467 6.787 1.00 0.00 N ATOM 72 CA LEU A 5 -10.349 2.731 7.387 1.00 0.00 C ATOM 73 C LEU A 5 -10.751 3.874 6.464 1.00 0.00 C ATOM 74 O LEU A 5 -10.323 3.931 5.310 1.00 0.00 O ATOM 75 CB LEU A 5 -8.820 2.700 7.582 1.00 0.00 C ATOM 76 CG LEU A 5 -8.264 4.067 8.049 1.00 0.00 C ATOM 77 CD1 LEU A 5 -8.151 5.057 6.872 1.00 0.00 C ATOM 78 CD2 LEU A 5 -9.157 4.651 9.158 1.00 0.00 C ATOM 0 H LEU A 5 -10.458 1.327 5.830 1.00 0.00 H new ATOM 0 HA LEU A 5 -10.822 2.876 8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.564 1.935 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.341 2.416 6.645 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.262 3.907 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.758 6.007 7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.479 4.649 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.136 5.215 6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -8.757 5.613 9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -10.169 4.788 8.776 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -9.179 3.966 10.006 1.00 0.00 H new ATOM 90 N GLN A 6 -11.545 4.803 6.988 1.00 0.00 N ATOM 91 CA GLN A 6 -11.968 5.975 6.231 1.00 0.00 C ATOM 92 C GLN A 6 -11.841 7.200 7.132 1.00 0.00 C ATOM 93 O GLN A 6 -12.484 7.273 8.180 1.00 0.00 O ATOM 94 CB GLN A 6 -13.417 5.804 5.760 1.00 0.00 C ATOM 95 CG GLN A 6 -13.818 6.997 4.890 1.00 0.00 C ATOM 96 CD GLN A 6 -15.286 6.889 4.495 1.00 0.00 C ATOM 97 OE1 GLN A 6 -16.164 6.874 5.357 1.00 0.00 O ATOM 98 NE2 GLN A 6 -15.605 6.813 3.232 1.00 0.00 N ATOM 0 H GLN A 6 -11.910 4.765 7.940 1.00 0.00 H new ATOM 0 HA GLN A 6 -11.340 6.099 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.519 4.878 5.194 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.083 5.728 6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.647 7.926 5.433 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.195 7.031 3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.875 6.826 2.520 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.585 6.741 2.957 1.00 0.00 H new ATOM 107 N ILE A 7 -11.007 8.160 6.730 1.00 0.00 N ATOM 108 CA ILE A 7 -10.807 9.378 7.527 1.00 0.00 C ATOM 109 C ILE A 7 -10.971 10.606 6.636 1.00 0.00 C ATOM 110 O ILE A 7 -12.000 10.704 5.989 1.00 0.00 O ATOM 111 CB ILE A 7 -9.405 9.388 8.164 1.00 0.00 C ATOM 112 CG1 ILE A 7 -9.077 8.018 8.757 1.00 0.00 C ATOM 113 CG2 ILE A 7 -9.345 10.401 9.297 1.00 0.00 C ATOM 114 CD1 ILE A 7 -7.657 8.008 9.359 1.00 0.00 C ATOM 115 OXT ILE A 7 -10.065 11.422 6.607 1.00 0.00 O ATOM 0 H ILE A 7 -10.463 8.122 5.868 1.00 0.00 H new ATOM 0 HA ILE A 7 -11.552 9.398 8.323 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.691 9.646 7.382 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.805 7.766 9.528 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.154 7.254 7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.348 10.396 9.737 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.565 11.395 8.908 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.079 10.139 10.059 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.445 7.023 9.775 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.930 8.237 8.580 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.591 8.757 10.148 1.00 0.00 H new ATOM 128 N ILE C 1 -8.084 -11.721 3.593 1.00 0.00 N ATOM 129 CA ILE C 1 -8.248 -10.467 4.384 1.00 0.00 C ATOM 130 C ILE C 1 -8.314 -9.289 3.422 1.00 0.00 C ATOM 131 O ILE C 1 -7.452 -9.136 2.548 1.00 0.00 O ATOM 132 CB ILE C 1 -7.059 -10.297 5.348 1.00 0.00 C ATOM 133 CG1 ILE C 1 -7.067 -11.440 6.371 1.00 0.00 C ATOM 134 CG2 ILE C 1 -7.180 -8.960 6.083 1.00 0.00 C ATOM 135 CD1 ILE C 1 -5.742 -11.457 7.131 1.00 0.00 C ATOM 0 H1 ILE C 1 -8.729 -12.450 3.960 1.00 0.00 H new ATOM 0 H2 ILE C 1 -8.306 -11.533 2.594 1.00 0.00 H new ATOM 0 H3 ILE C 1 -7.103 -12.056 3.672 1.00 0.00 H new ATOM 0 HA ILE C 1 -9.165 -10.515 4.971 1.00 0.00 H new ATOM 0 HB ILE C 1 -6.128 -10.317 4.781 1.00 0.00 H new ATOM 0 HG12 ILE C 1 -7.896 -11.312 7.067 1.00 0.00 H new ATOM 0 HG13 ILE C 1 -7.220 -12.393 5.865 1.00 0.00 H new ATOM 0 HG21 ILE C 1 -6.338 -8.842 6.765 1.00 0.00 H new ATOM 0 HG22 ILE C 1 -7.178 -8.145 5.359 1.00 0.00 H new ATOM 0 HG23 ILE C 1 -8.111 -8.939 6.650 1.00 0.00 H new ATOM 0 HD11 ILE C 1 -5.750 -12.270 7.857 1.00 0.00 H new ATOM 0 HD12 ILE C 1 -4.922 -11.606 6.429 1.00 0.00 H new ATOM 0 HD13 ILE C 1 -5.608 -10.508 7.650 1.00 0.00 H new ATOM 149 N HIS C 2 -9.338 -8.446 3.569 1.00 0.00 N ATOM 150 CA HIS C 2 -9.458 -7.274 2.692 1.00 0.00 C ATOM 151 C HIS C 2 -9.229 -6.004 3.506 1.00 0.00 C ATOM 152 O HIS C 2 -9.945 -5.745 4.473 1.00 0.00 O ATOM 153 CB HIS C 2 -10.867 -7.231 2.054 1.00 0.00 C ATOM 154 CG HIS C 2 -10.905 -8.048 0.781 1.00 0.00 C ATOM 155 ND1 HIS C 2 -11.141 -7.476 -0.466 1.00 0.00 N ATOM 156 CD2 HIS C 2 -10.755 -9.394 0.547 1.00 0.00 C ATOM 157 CE1 HIS C 2 -11.124 -8.467 -1.376 1.00 0.00 C ATOM 158 NE2 HIS C 2 -10.893 -9.655 -0.813 1.00 0.00 N ATOM 0 H HIS C 2 -10.077 -8.545 4.265 1.00 0.00 H new ATOM 0 HA HIS C 2 -8.711 -7.342 1.901 1.00 0.00 H new ATOM 0 HB2 HIS C 2 -11.603 -7.615 2.760 1.00 0.00 H new ATOM 0 HB3 HIS C 2 -11.142 -6.199 1.837 1.00 0.00 H new ATOM 0 HD2 HIS C 2 -10.559 -10.138 1.305 1.00 0.00 H new ATOM 0 HE1 HIS C 2 -11.279 -8.319 -2.435 1.00 0.00 H new ATOM 0 HE2 HIS C 2 -10.831 -10.560 -1.279 1.00 0.00 H new ATOM 166 N VAL C 3 -8.266 -5.187 3.075 1.00 0.00 N ATOM 167 CA VAL C 3 -7.997 -3.911 3.739 1.00 0.00 C ATOM 168 C VAL C 3 -8.291 -2.759 2.789 1.00 0.00 C ATOM 169 O VAL C 3 -7.722 -2.697 1.695 1.00 0.00 O ATOM 170 CB VAL C 3 -6.537 -3.847 4.186 1.00 0.00 C ATOM 171 CG1 VAL C 3 -6.260 -2.484 4.821 1.00 0.00 C ATOM 172 CG2 VAL C 3 -6.275 -4.948 5.219 1.00 0.00 C ATOM 0 H VAL C 3 -7.664 -5.384 2.276 1.00 0.00 H new ATOM 0 HA VAL C 3 -8.641 -3.830 4.614 1.00 0.00 H new ATOM 0 HB VAL C 3 -5.885 -3.989 3.324 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -5.219 -2.436 5.141 1.00 0.00 H new ATOM 0 HG12 VAL C 3 -6.452 -1.697 4.092 1.00 0.00 H new ATOM 0 HG13 VAL C 3 -6.911 -2.346 5.684 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -5.234 -4.905 5.540 1.00 0.00 H new ATOM 0 HG22 VAL C 3 -6.927 -4.801 6.080 1.00 0.00 H new ATOM 0 HG23 VAL C 3 -6.477 -5.922 4.772 1.00 0.00 H new ATOM 182 N HIS C 4 -9.144 -1.828 3.216 1.00 0.00 N ATOM 183 CA HIS C 4 -9.464 -0.659 2.384 1.00 0.00 C ATOM 184 C HIS C 4 -9.030 0.600 3.127 1.00 0.00 C ATOM 185 O HIS C 4 -9.362 0.769 4.299 1.00 0.00 O ATOM 186 CB HIS C 4 -10.983 -0.629 2.075 1.00 0.00 C ATOM 187 CG HIS C 4 -11.443 -1.929 1.404 1.00 0.00 C ATOM 188 ND1 HIS C 4 -12.644 -2.571 1.743 1.00 0.00 N ATOM 189 CD2 HIS C 4 -10.875 -2.723 0.423 1.00 0.00 C ATOM 190 CE1 HIS C 4 -12.742 -3.681 0.986 1.00 0.00 C ATOM 191 NE2 HIS C 4 -11.694 -3.824 0.168 1.00 0.00 N ATOM 0 H HIS C 4 -9.621 -1.855 4.117 1.00 0.00 H new ATOM 0 HA HIS C 4 -8.933 -0.714 1.434 1.00 0.00 H new ATOM 0 HB2 HIS C 4 -11.541 -0.477 2.999 1.00 0.00 H new ATOM 0 HB3 HIS C 4 -11.207 0.217 1.425 1.00 0.00 H new ATOM 0 HD1 HIS C 4 -13.321 -2.254 2.437 1.00 0.00 H new ATOM 0 HD2 HIS C 4 -9.937 -2.521 -0.072 1.00 0.00 H new ATOM 0 HE1 HIS C 4 -13.569 -4.374 1.034 1.00 0.00 H new ATOM 198 N LEU C 5 -8.267 1.472 2.461 1.00 0.00 N ATOM 199 CA LEU C 5 -7.766 2.692 3.110 1.00 0.00 C ATOM 200 C LEU C 5 -8.132 3.921 2.289 1.00 0.00 C ATOM 201 O LEU C 5 -7.679 4.065 1.147 1.00 0.00 O ATOM 202 CB LEU C 5 -6.245 2.604 3.200 1.00 0.00 C ATOM 203 CG LEU C 5 -5.817 1.199 3.649 1.00 0.00 C ATOM 204 CD1 LEU C 5 -4.311 1.044 3.466 1.00 0.00 C ATOM 205 CD2 LEU C 5 -6.175 0.985 5.125 1.00 0.00 C ATOM 0 H LEU C 5 -7.985 1.361 1.487 1.00 0.00 H new ATOM 0 HA LEU C 5 -8.212 2.779 4.101 1.00 0.00 H new ATOM 0 HB2 LEU C 5 -5.803 2.834 2.231 1.00 0.00 H new ATOM 0 HB3 LEU C 5 -5.872 3.347 3.905 1.00 0.00 H new ATOM 0 HG LEU C 5 -6.340 0.458 3.044 1.00 0.00 H new ATOM 0 HD11 LEU C 5 -4.006 0.047 3.784 1.00 0.00 H new ATOM 0 HD12 LEU C 5 -4.056 1.183 2.415 1.00 0.00 H new ATOM 0 HD13 LEU C 5 -3.793 1.791 4.067 1.00 0.00 H new ATOM 0 HD21 LEU C 5 -5.867 -0.014 5.433 1.00 0.00 H new ATOM 0 HD22 LEU C 5 -5.661 1.727 5.735 1.00 0.00 H new ATOM 0 HD23 LEU C 5 -7.252 1.090 5.257 1.00 0.00 H new ATOM 217 N GLN C 6 -8.917 4.819 2.873 1.00 0.00 N ATOM 218 CA GLN C 6 -9.302 6.047 2.184 1.00 0.00 C ATOM 219 C GLN C 6 -9.061 7.229 3.106 1.00 0.00 C ATOM 220 O GLN C 6 -9.739 7.389 4.124 1.00 0.00 O ATOM 221 CB GLN C 6 -10.775 5.970 1.778 1.00 0.00 C ATOM 222 CG GLN C 6 -11.145 7.191 0.935 1.00 0.00 C ATOM 223 CD GLN C 6 -12.631 7.164 0.610 1.00 0.00 C ATOM 224 OE1 GLN C 6 -13.467 7.198 1.512 1.00 0.00 O ATOM 225 NE2 GLN C 6 -13.013 7.091 -0.638 1.00 0.00 N ATOM 0 H GLN C 6 -9.297 4.722 3.814 1.00 0.00 H new ATOM 0 HA GLN C 6 -8.703 6.172 1.282 1.00 0.00 H new ATOM 0 HB2 GLN C 6 -10.958 5.057 1.212 1.00 0.00 H new ATOM 0 HB3 GLN C 6 -11.405 5.926 2.667 1.00 0.00 H new ATOM 0 HG2 GLN C 6 -10.898 8.105 1.475 1.00 0.00 H new ATOM 0 HG3 GLN C 6 -10.562 7.198 0.014 1.00 0.00 H new ATOM 0 HE21 GLN C 6 -12.317 7.063 -1.383 1.00 0.00 H new ATOM 0 HE22 GLN C 6 -14.007 7.062 -0.866 1.00 0.00 H new ATOM 234 N ILE C 7 -8.075 8.048 2.753 1.00 0.00 N ATOM 235 CA ILE C 7 -7.724 9.212 3.564 1.00 0.00 C ATOM 236 C ILE C 7 -7.658 10.458 2.682 1.00 0.00 C ATOM 237 O ILE C 7 -8.021 10.356 1.523 1.00 0.00 O ATOM 238 CB ILE C 7 -6.353 8.979 4.236 1.00 0.00 C ATOM 239 CG1 ILE C 7 -5.401 8.263 3.247 1.00 0.00 C ATOM 240 CG2 ILE C 7 -6.533 8.132 5.505 1.00 0.00 C ATOM 241 CD1 ILE C 7 -5.477 6.733 3.389 1.00 0.00 C ATOM 242 OXT ILE C 7 -7.252 11.493 3.183 1.00 0.00 O ATOM 0 H ILE C 7 -7.506 7.929 1.915 1.00 0.00 H new ATOM 0 HA ILE C 7 -8.484 9.357 4.331 1.00 0.00 H new ATOM 0 HB ILE C 7 -5.919 9.940 4.512 1.00 0.00 H new ATOM 0 HG12 ILE C 7 -5.657 8.547 2.226 1.00 0.00 H new ATOM 0 HG13 ILE C 7 -4.378 8.594 3.423 1.00 0.00 H new ATOM 0 HG21 ILE C 7 -5.563 7.970 5.975 1.00 0.00 H new ATOM 0 HG22 ILE C 7 -7.191 8.653 6.200 1.00 0.00 H new ATOM 0 HG23 ILE C 7 -6.973 7.170 5.241 1.00 0.00 H new ATOM 0 HD11 ILE C 7 -4.795 6.267 2.678 1.00 0.00 H new ATOM 0 HD12 ILE C 7 -5.196 6.447 4.403 1.00 0.00 H new ATOM 0 HD13 ILE C 7 -6.495 6.399 3.187 1.00 0.00 H new ATOM 255 N ILE E 1 -5.318 -11.718 -0.550 1.00 0.00 N ATOM 256 CA ILE E 1 -5.461 -10.469 0.249 1.00 0.00 C ATOM 257 C ILE E 1 -5.510 -9.268 -0.679 1.00 0.00 C ATOM 258 O ILE E 1 -4.718 -9.158 -1.628 1.00 0.00 O ATOM 259 CB ILE E 1 -4.278 -10.345 1.214 1.00 0.00 C ATOM 260 CG1 ILE E 1 -4.404 -11.441 2.274 1.00 0.00 C ATOM 261 CG2 ILE E 1 -4.274 -8.966 1.873 1.00 0.00 C ATOM 262 CD1 ILE E 1 -3.135 -11.499 3.121 1.00 0.00 C ATOM 0 H1 ILE E 1 -5.743 -12.513 -0.031 1.00 0.00 H new ATOM 0 H2 ILE E 1 -5.801 -11.603 -1.464 1.00 0.00 H new ATOM 0 H3 ILE E 1 -4.309 -11.912 -0.714 1.00 0.00 H new ATOM 0 HA ILE E 1 -6.387 -10.506 0.822 1.00 0.00 H new ATOM 0 HB ILE E 1 -3.340 -10.460 0.670 1.00 0.00 H new ATOM 0 HG12 ILE E 1 -5.267 -11.245 2.910 1.00 0.00 H new ATOM 0 HG13 ILE E 1 -4.575 -12.405 1.794 1.00 0.00 H new ATOM 0 HG21 ILE E 1 -3.428 -8.892 2.556 1.00 0.00 H new ATOM 0 HG22 ILE E 1 -4.189 -8.196 1.106 1.00 0.00 H new ATOM 0 HG23 ILE E 1 -5.202 -8.825 2.428 1.00 0.00 H new ATOM 0 HD11 ILE E 1 -3.235 -12.282 3.873 1.00 0.00 H new ATOM 0 HD12 ILE E 1 -2.280 -11.717 2.481 1.00 0.00 H new ATOM 0 HD13 ILE E 1 -2.983 -10.539 3.615 1.00 0.00 H new ATOM 276 N HIS E 2 -6.439 -8.355 -0.395 1.00 0.00 N ATOM 277 CA HIS E 2 -6.568 -7.159 -1.193 1.00 0.00 C ATOM 278 C HIS E 2 -6.200 -5.949 -0.346 1.00 0.00 C ATOM 279 O HIS E 2 -6.834 -5.692 0.677 1.00 0.00 O ATOM 280 CB HIS E 2 -8.046 -7.070 -1.626 1.00 0.00 C ATOM 281 CG HIS E 2 -8.362 -5.722 -2.207 1.00 0.00 C ATOM 282 ND1 HIS E 2 -9.637 -5.141 -2.127 1.00 0.00 N ATOM 283 CD2 HIS E 2 -7.599 -4.852 -2.926 1.00 0.00 C ATOM 284 CE1 HIS E 2 -9.589 -3.977 -2.787 1.00 0.00 C ATOM 285 NE2 HIS E 2 -8.381 -3.747 -3.296 1.00 0.00 N ATOM 0 H HIS E 2 -7.102 -8.429 0.376 1.00 0.00 H new ATOM 0 HA HIS E 2 -5.910 -7.184 -2.062 1.00 0.00 H new ATOM 0 HB2 HIS E 2 -8.259 -7.845 -2.362 1.00 0.00 H new ATOM 0 HB3 HIS E 2 -8.691 -7.259 -0.768 1.00 0.00 H new ATOM 0 HD1 HIS E 2 -10.451 -5.533 -1.653 1.00 0.00 H new ATOM 0 HD2 HIS E 2 -6.557 -4.991 -3.172 1.00 0.00 H new ATOM 0 HE1 HIS E 2 -10.429 -3.306 -2.893 1.00 0.00 H new ATOM 292 N VAL E 3 -5.214 -5.177 -0.803 1.00 0.00 N ATOM 293 CA VAL E 3 -4.817 -3.959 -0.098 1.00 0.00 C ATOM 294 C VAL E 3 -5.051 -2.770 -0.991 1.00 0.00 C ATOM 295 O VAL E 3 -4.470 -2.692 -2.080 1.00 0.00 O ATOM 296 CB VAL E 3 -3.335 -4.026 0.262 1.00 0.00 C ATOM 297 CG1 VAL E 3 -2.929 -2.732 0.979 1.00 0.00 C ATOM 298 CG2 VAL E 3 -3.078 -5.246 1.170 1.00 0.00 C ATOM 0 H VAL E 3 -4.680 -5.371 -1.650 1.00 0.00 H new ATOM 0 HA VAL E 3 -5.407 -3.865 0.813 1.00 0.00 H new ATOM 0 HB VAL E 3 -2.739 -4.133 -0.644 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -1.871 -2.776 1.238 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -3.107 -1.881 0.322 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -3.520 -2.619 1.888 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -2.020 -5.292 1.426 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -3.668 -5.152 2.082 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -3.365 -6.157 0.645 1.00 0.00 H new ATOM 308 N HIS E 4 -5.883 -1.820 -0.539 1.00 0.00 N ATOM 309 CA HIS E 4 -6.157 -0.634 -1.311 1.00 0.00 C ATOM 310 C HIS E 4 -5.736 0.640 -0.587 1.00 0.00 C ATOM 311 O HIS E 4 -6.088 0.852 0.573 1.00 0.00 O ATOM 312 CB HIS E 4 -7.654 -0.615 -1.660 1.00 0.00 C ATOM 313 CG HIS E 4 -7.887 0.287 -2.838 1.00 0.00 C ATOM 314 ND1 HIS E 4 -8.289 -0.162 -4.111 1.00 0.00 N ATOM 315 CD2 HIS E 4 -7.783 1.629 -2.930 1.00 0.00 C ATOM 316 CE1 HIS E 4 -8.408 0.922 -4.891 1.00 0.00 C ATOM 317 NE2 HIS E 4 -8.113 2.043 -4.221 1.00 0.00 N ATOM 0 H HIS E 4 -6.369 -1.864 0.357 1.00 0.00 H new ATOM 0 HA HIS E 4 -5.565 -0.663 -2.225 1.00 0.00 H new ATOM 0 HB2 HIS E 4 -7.997 -1.624 -1.889 1.00 0.00 H new ATOM 0 HB3 HIS E 4 -8.233 -0.268 -0.804 1.00 0.00 H new ATOM 0 HD2 HIS E 4 -7.488 2.285 -2.124 1.00 0.00 H new ATOM 0 HE1 HIS E 4 -8.705 0.894 -5.929 1.00 0.00 H new ATOM 0 HE2 HIS E 4 -8.127 2.998 -4.579 1.00 0.00 H new ATOM 325 N LEU E 5 -5.003 1.502 -1.299 1.00 0.00 N ATOM 326 CA LEU E 5 -4.547 2.776 -0.741 1.00 0.00 C ATOM 327 C LEU E 5 -5.009 3.919 -1.632 1.00 0.00 C ATOM 328 O LEU E 5 -4.628 3.998 -2.801 1.00 0.00 O ATOM 329 CB LEU E 5 -3.008 2.743 -0.640 1.00 0.00 C ATOM 330 CG LEU E 5 -2.424 4.108 -0.215 1.00 0.00 C ATOM 331 CD1 LEU E 5 -2.373 5.087 -1.402 1.00 0.00 C ATOM 332 CD2 LEU E 5 -3.251 4.711 0.934 1.00 0.00 C ATOM 0 H LEU E 5 -4.713 1.339 -2.263 1.00 0.00 H new ATOM 0 HA LEU E 5 -4.968 2.931 0.252 1.00 0.00 H new ATOM 0 HB2 LEU E 5 -2.709 1.981 0.080 1.00 0.00 H new ATOM 0 HB3 LEU E 5 -2.588 2.454 -1.603 1.00 0.00 H new ATOM 0 HG LEU E 5 -1.404 3.942 0.131 1.00 0.00 H new ATOM 0 HD11 LEU E 5 -1.957 6.039 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU E 5 -1.745 4.671 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU E 5 -3.381 5.245 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU E 5 -2.827 5.673 1.222 1.00 0.00 H new ATOM 0 HD22 LEU E 5 -4.281 4.852 0.606 1.00 0.00 H new ATOM 0 HD23 LEU E 5 -3.232 4.035 1.789 1.00 0.00 H new ATOM 344 N GLN E 6 -5.805 4.828 -1.063 1.00 0.00 N ATOM 345 CA GLN E 6 -6.278 5.998 -1.796 1.00 0.00 C ATOM 346 C GLN E 6 -6.087 7.242 -0.930 1.00 0.00 C ATOM 347 O GLN E 6 -6.651 7.343 0.163 1.00 0.00 O ATOM 348 CB GLN E 6 -7.756 5.821 -2.167 1.00 0.00 C ATOM 349 CG GLN E 6 -8.224 7.009 -3.011 1.00 0.00 C ATOM 350 CD GLN E 6 -9.716 6.894 -3.310 1.00 0.00 C ATOM 351 OE1 GLN E 6 -10.541 6.886 -2.391 1.00 0.00 O ATOM 352 NE2 GLN E 6 -10.113 6.800 -4.550 1.00 0.00 N ATOM 0 H GLN E 6 -6.133 4.774 -0.099 1.00 0.00 H new ATOM 0 HA GLN E 6 -5.706 6.112 -2.717 1.00 0.00 H new ATOM 0 HB2 GLN E 6 -7.893 4.893 -2.722 1.00 0.00 H new ATOM 0 HB3 GLN E 6 -8.361 5.744 -1.263 1.00 0.00 H new ATOM 0 HG2 GLN E 6 -8.023 7.941 -2.482 1.00 0.00 H new ATOM 0 HG3 GLN E 6 -7.661 7.045 -3.944 1.00 0.00 H new ATOM 0 HE21 GLN E 6 -9.429 6.807 -5.306 1.00 0.00 H new ATOM 0 HE22 GLN E 6 -11.107 6.720 -4.762 1.00 0.00 H new ATOM 361 N ILE E 7 -5.288 8.194 -1.423 1.00 0.00 N ATOM 362 CA ILE E 7 -5.030 9.436 -0.684 1.00 0.00 C ATOM 363 C ILE E 7 -5.263 10.637 -1.596 1.00 0.00 C ATOM 364 O ILE E 7 -6.339 10.719 -2.164 1.00 0.00 O ATOM 365 CB ILE E 7 -3.582 9.471 -0.151 1.00 0.00 C ATOM 366 CG1 ILE E 7 -3.181 8.096 0.402 1.00 0.00 C ATOM 367 CG2 ILE E 7 -3.465 10.492 0.967 1.00 0.00 C ATOM 368 CD1 ILE E 7 -1.745 8.109 0.965 1.00 0.00 C ATOM 369 OXT ILE E 7 -4.364 11.453 -1.716 1.00 0.00 O ATOM 0 H ILE E 7 -4.812 8.131 -2.323 1.00 0.00 H new ATOM 0 HA ILE E 7 -5.714 9.477 0.164 1.00 0.00 H new ATOM 0 HB ILE E 7 -2.923 9.741 -0.976 1.00 0.00 H new ATOM 0 HG12 ILE E 7 -3.878 7.801 1.187 1.00 0.00 H new ATOM 0 HG13 ILE E 7 -3.256 7.349 -0.388 1.00 0.00 H new ATOM 0 HG21 ILE E 7 -2.440 10.510 1.337 1.00 0.00 H new ATOM 0 HG22 ILE E 7 -3.731 11.479 0.588 1.00 0.00 H new ATOM 0 HG23 ILE E 7 -4.139 10.221 1.779 1.00 0.00 H new ATOM 0 HD11 ILE E 7 -1.495 7.119 1.348 1.00 0.00 H new ATOM 0 HD12 ILE E 7 -1.046 8.379 0.173 1.00 0.00 H new ATOM 0 HD13 ILE E 7 -1.677 8.838 1.773 1.00 0.00 H new ATOM 382 N ILE G 1 -2.121 -11.758 -4.260 1.00 0.00 N ATOM 383 CA ILE G 1 -2.237 -10.485 -3.490 1.00 0.00 C ATOM 384 C ILE G 1 -2.326 -9.327 -4.474 1.00 0.00 C ATOM 385 O ILE G 1 -1.451 -9.159 -5.334 1.00 0.00 O ATOM 386 CB ILE G 1 -1.006 -10.310 -2.578 1.00 0.00 C ATOM 387 CG1 ILE G 1 -0.984 -11.440 -1.539 1.00 0.00 C ATOM 388 CG2 ILE G 1 -1.084 -8.962 -1.857 1.00 0.00 C ATOM 389 CD1 ILE G 1 0.362 -11.449 -0.818 1.00 0.00 C ATOM 0 H1 ILE G 1 -2.507 -12.542 -3.695 1.00 0.00 H new ATOM 0 H2 ILE G 1 -2.655 -11.676 -5.149 1.00 0.00 H new ATOM 0 H3 ILE G 1 -1.120 -11.945 -4.473 1.00 0.00 H new ATOM 0 HA ILE G 1 -3.130 -10.508 -2.866 1.00 0.00 H new ATOM 0 HB ILE G 1 -0.099 -10.344 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE G 1 -1.792 -11.302 -0.820 1.00 0.00 H new ATOM 0 HG13 ILE G 1 -1.152 -12.400 -2.027 1.00 0.00 H new ATOM 0 HG21 ILE G 1 -0.212 -8.843 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE G 1 -1.106 -8.157 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE G 1 -1.990 -8.925 -1.251 1.00 0.00 H new ATOM 0 HD11 ILE G 1 0.375 -12.252 -0.081 1.00 0.00 H new ATOM 0 HD12 ILE G 1 1.161 -11.608 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE G 1 0.512 -10.493 -0.316 1.00 0.00 H new ATOM 403 N HIS G 2 -3.378 -8.514 -4.349 1.00 0.00 N ATOM 404 CA HIS G 2 -3.528 -7.359 -5.244 1.00 0.00 C ATOM 405 C HIS G 2 -3.324 -6.075 -4.447 1.00 0.00 C ATOM 406 O HIS G 2 -4.036 -5.822 -3.476 1.00 0.00 O ATOM 407 CB HIS G 2 -4.946 -7.354 -5.865 1.00 0.00 C ATOM 408 CG HIS G 2 -4.986 -8.189 -7.125 1.00 0.00 C ATOM 409 ND1 HIS G 2 -5.242 -7.637 -8.377 1.00 0.00 N ATOM 410 CD2 HIS G 2 -4.824 -9.537 -7.342 1.00 0.00 C ATOM 411 CE1 HIS G 2 -5.226 -8.640 -9.274 1.00 0.00 C ATOM 412 NE2 HIS G 2 -4.977 -9.818 -8.697 1.00 0.00 N ATOM 0 H HIS G 2 -4.120 -8.626 -3.658 1.00 0.00 H new ATOM 0 HA HIS G 2 -2.787 -7.423 -6.041 1.00 0.00 H new ATOM 0 HB2 HIS G 2 -5.665 -7.743 -5.143 1.00 0.00 H new ATOM 0 HB3 HIS G 2 -5.244 -6.331 -6.093 1.00 0.00 H new ATOM 0 HD2 HIS G 2 -4.610 -10.268 -6.576 1.00 0.00 H new ATOM 0 HE1 HIS G 2 -5.394 -8.508 -10.333 1.00 0.00 H new ATOM 0 HE2 HIS G 2 -4.913 -10.729 -9.152 1.00 0.00 H new ATOM 420 N VAL G 3 -2.379 -5.246 -4.895 1.00 0.00 N ATOM 421 CA VAL G 3 -2.126 -3.961 -4.246 1.00 0.00 C ATOM 422 C VAL G 3 -2.448 -2.829 -5.209 1.00 0.00 C ATOM 423 O VAL G 3 -1.888 -2.776 -6.309 1.00 0.00 O ATOM 424 CB VAL G 3 -0.660 -3.874 -3.820 1.00 0.00 C ATOM 425 CG1 VAL G 3 -0.380 -2.488 -3.238 1.00 0.00 C ATOM 426 CG2 VAL G 3 -0.375 -4.941 -2.760 1.00 0.00 C ATOM 0 H VAL G 3 -1.781 -5.440 -5.698 1.00 0.00 H new ATOM 0 HA VAL G 3 -2.760 -3.875 -3.364 1.00 0.00 H new ATOM 0 HB VAL G 3 -0.018 -4.040 -4.685 1.00 0.00 H new ATOM 0 HG11 VAL G 3 0.665 -2.425 -2.934 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -0.585 -1.728 -3.992 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -1.020 -2.321 -2.372 1.00 0.00 H new ATOM 0 HG21 VAL G 3 0.670 -4.881 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -1.016 -4.774 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -0.575 -5.929 -3.175 1.00 0.00 H new ATOM 436 N HIS G 4 -3.314 -1.906 -4.792 1.00 0.00 N ATOM 437 CA HIS G 4 -3.659 -0.757 -5.643 1.00 0.00 C ATOM 438 C HIS G 4 -3.230 0.521 -4.931 1.00 0.00 C ATOM 439 O HIS G 4 -3.554 0.712 -3.759 1.00 0.00 O ATOM 440 CB HIS G 4 -5.186 -0.750 -5.926 1.00 0.00 C ATOM 441 CG HIS G 4 -5.641 -2.062 -6.575 1.00 0.00 C ATOM 442 ND1 HIS G 4 -6.837 -2.705 -6.221 1.00 0.00 N ATOM 443 CD2 HIS G 4 -5.072 -2.870 -7.544 1.00 0.00 C ATOM 444 CE1 HIS G 4 -6.931 -3.829 -6.957 1.00 0.00 C ATOM 445 NE2 HIS G 4 -5.885 -3.980 -7.776 1.00 0.00 N ATOM 0 H HIS G 4 -3.785 -1.925 -3.887 1.00 0.00 H new ATOM 0 HA HIS G 4 -3.141 -0.825 -6.600 1.00 0.00 H new ATOM 0 HB2 HIS G 4 -5.730 -0.596 -4.994 1.00 0.00 H new ATOM 0 HB3 HIS G 4 -5.432 0.086 -6.581 1.00 0.00 H new ATOM 0 HD1 HIS G 4 -7.514 -2.380 -5.530 1.00 0.00 H new ATOM 0 HD2 HIS G 4 -4.137 -2.671 -8.046 1.00 0.00 H new ATOM 0 HE1 HIS G 4 -7.754 -4.526 -6.893 1.00 0.00 H new ATOM 452 N LEU G 5 -2.483 1.384 -5.626 1.00 0.00 N ATOM 453 CA LEU G 5 -1.988 2.621 -5.011 1.00 0.00 C ATOM 454 C LEU G 5 -2.396 3.832 -5.840 1.00 0.00 C ATOM 455 O LEU G 5 -1.989 3.960 -7.001 1.00 0.00 O ATOM 456 CB LEU G 5 -0.466 2.559 -4.964 1.00 0.00 C ATOM 457 CG LEU G 5 -0.004 1.187 -4.458 1.00 0.00 C ATOM 458 CD1 LEU G 5 1.505 1.058 -4.642 1.00 0.00 C ATOM 459 CD2 LEU G 5 -0.356 1.031 -2.976 1.00 0.00 C ATOM 0 H LEU G 5 -2.210 1.253 -6.600 1.00 0.00 H new ATOM 0 HA LEU G 5 -2.410 2.716 -4.011 1.00 0.00 H new ATOM 0 HB2 LEU G 5 -0.057 2.744 -5.957 1.00 0.00 H new ATOM 0 HB3 LEU G 5 -0.083 3.343 -4.310 1.00 0.00 H new ATOM 0 HG LEU G 5 -0.509 0.407 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU G 5 1.833 0.083 -4.282 1.00 0.00 H new ATOM 0 HD12 LEU G 5 1.752 1.157 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU G 5 2.009 1.842 -4.076 1.00 0.00 H new ATOM 0 HD21 LEU G 5 -0.025 0.054 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU G 5 0.141 1.812 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU G 5 -1.435 1.116 -2.847 1.00 0.00 H new ATOM 471 N GLN G 6 -3.162 4.737 -5.241 1.00 0.00 N ATOM 472 CA GLN G 6 -3.583 5.947 -5.939 1.00 0.00 C ATOM 473 C GLN G 6 -3.337 7.152 -5.044 1.00 0.00 C ATOM 474 O GLN G 6 -3.982 7.316 -4.006 1.00 0.00 O ATOM 475 CB GLN G 6 -5.066 5.833 -6.308 1.00 0.00 C ATOM 476 CG GLN G 6 -5.485 7.043 -7.142 1.00 0.00 C ATOM 477 CD GLN G 6 -6.978 6.976 -7.438 1.00 0.00 C ATOM 478 OE1 GLN G 6 -7.800 6.962 -6.518 1.00 0.00 O ATOM 479 NE2 GLN G 6 -7.378 6.923 -8.681 1.00 0.00 N ATOM 0 H GLN G 6 -3.502 4.658 -4.283 1.00 0.00 H new ATOM 0 HA GLN G 6 -3.008 6.071 -6.857 1.00 0.00 H new ATOM 0 HB2 GLN G 6 -5.241 4.915 -6.869 1.00 0.00 H new ATOM 0 HB3 GLN G 6 -5.672 5.775 -5.404 1.00 0.00 H new ATOM 0 HG2 GLN G 6 -5.252 7.963 -6.606 1.00 0.00 H new ATOM 0 HG3 GLN G 6 -4.921 7.066 -8.074 1.00 0.00 H new ATOM 0 HE21 GLN G 6 -6.694 6.935 -9.438 1.00 0.00 H new ATOM 0 HE22 GLN G 6 -8.374 6.870 -8.894 1.00 0.00 H new ATOM 488 N ILE G 7 -2.380 7.987 -5.447 1.00 0.00 N ATOM 489 CA ILE G 7 -2.024 9.172 -4.670 1.00 0.00 C ATOM 490 C ILE G 7 -1.970 10.398 -5.576 1.00 0.00 C ATOM 491 O ILE G 7 -2.365 10.278 -6.724 1.00 0.00 O ATOM 492 CB ILE G 7 -0.650 8.956 -4.001 1.00 0.00 C ATOM 493 CG1 ILE G 7 0.321 8.271 -4.994 1.00 0.00 C ATOM 494 CG2 ILE G 7 -0.822 8.078 -2.755 1.00 0.00 C ATOM 495 CD1 ILE G 7 0.279 6.735 -4.860 1.00 0.00 C ATOM 496 OXT ILE G 7 -1.541 11.439 -5.108 1.00 0.00 O ATOM 0 H ILE G 7 -1.840 7.865 -6.303 1.00 0.00 H new ATOM 0 HA ILE G 7 -2.780 9.335 -3.902 1.00 0.00 H new ATOM 0 HB ILE G 7 -0.236 9.922 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE G 7 0.060 8.555 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE G 7 1.336 8.625 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE G 7 0.148 7.925 -2.281 1.00 0.00 H new ATOM 0 HG22 ILE G 7 -1.495 8.570 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE G 7 -1.241 7.114 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE G 7 0.973 6.289 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE G 7 0.565 6.450 -3.847 1.00 0.00 H new ATOM 0 HD13 ILE G 7 -0.731 6.379 -5.066 1.00 0.00 H new ATOM 509 N ILE I 1 0.828 -11.809 -8.340 1.00 0.00 N ATOM 510 CA ILE I 1 0.678 -10.550 -7.557 1.00 0.00 C ATOM 511 C ILE I 1 0.567 -9.372 -8.503 1.00 0.00 C ATOM 512 O ILE I 1 1.337 -9.259 -9.457 1.00 0.00 O ATOM 513 CB ILE I 1 1.900 -10.359 -6.656 1.00 0.00 C ATOM 514 CG1 ILE I 1 1.908 -11.459 -5.601 1.00 0.00 C ATOM 515 CG2 ILE I 1 1.840 -8.991 -5.984 1.00 0.00 C ATOM 516 CD1 ILE I 1 3.241 -11.440 -4.866 1.00 0.00 C ATOM 0 H1 ILE I 1 0.457 -12.608 -7.787 1.00 0.00 H new ATOM 0 H2 ILE I 1 0.298 -11.729 -9.231 1.00 0.00 H new ATOM 0 H3 ILE I 1 1.834 -11.970 -8.549 1.00 0.00 H new ATOM 0 HA ILE I 1 -0.222 -10.613 -6.946 1.00 0.00 H new ATOM 0 HB ILE I 1 2.811 -10.414 -7.251 1.00 0.00 H new ATOM 0 HG12 ILE I 1 1.089 -11.310 -4.897 1.00 0.00 H new ATOM 0 HG13 ILE I 1 1.752 -12.430 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE I 1 2.713 -8.861 -5.344 1.00 0.00 H new ATOM 0 HG22 ILE I 1 1.830 -8.212 -6.746 1.00 0.00 H new ATOM 0 HG23 ILE I 1 0.935 -8.921 -5.381 1.00 0.00 H new ATOM 0 HD11 ILE I 1 3.251 -12.225 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE I 1 4.050 -11.609 -5.576 1.00 0.00 H new ATOM 0 HD13 ILE I 1 3.377 -10.472 -4.385 1.00 0.00 H new ATOM 530 N HIS I 2 -0.376 -8.474 -8.216 1.00 0.00 N ATOM 531 CA HIS I 2 -0.542 -7.297 -9.034 1.00 0.00 C ATOM 532 C HIS I 2 -0.176 -6.072 -8.209 1.00 0.00 C ATOM 533 O HIS I 2 -0.788 -5.813 -7.173 1.00 0.00 O ATOM 534 CB HIS I 2 -2.028 -7.235 -9.443 1.00 0.00 C ATOM 535 CG HIS I 2 -2.362 -5.912 -10.069 1.00 0.00 C ATOM 536 ND1 HIS I 2 -3.649 -5.354 -10.020 1.00 0.00 N ATOM 537 CD2 HIS I 2 -1.604 -5.037 -10.788 1.00 0.00 C ATOM 538 CE1 HIS I 2 -3.613 -4.202 -10.697 1.00 0.00 C ATOM 539 NE2 HIS I 2 -2.403 -3.953 -11.189 1.00 0.00 N ATOM 0 H HIS I 2 -1.024 -8.547 -7.431 1.00 0.00 H new ATOM 0 HA HIS I 2 0.095 -7.328 -9.918 1.00 0.00 H new ATOM 0 HB2 HIS I 2 -2.249 -8.039 -10.145 1.00 0.00 H new ATOM 0 HB3 HIS I 2 -2.656 -7.395 -8.567 1.00 0.00 H new ATOM 0 HD1 HIS I 2 -4.463 -5.754 -9.553 1.00 0.00 H new ATOM 0 HD2 HIS I 2 -0.555 -5.158 -11.014 1.00 0.00 H new ATOM 0 HE1 HIS I 2 -4.465 -3.551 -10.829 1.00 0.00 H new ATOM 546 N VAL I 3 0.788 -5.291 -8.698 1.00 0.00 N ATOM 547 CA VAL I 3 1.185 -4.058 -8.015 1.00 0.00 C ATOM 548 C VAL I 3 0.904 -2.890 -8.918 1.00 0.00 C ATOM 549 O VAL I 3 1.462 -2.820 -10.014 1.00 0.00 O ATOM 550 CB VAL I 3 2.686 -4.095 -7.712 1.00 0.00 C ATOM 551 CG1 VAL I 3 3.107 -2.789 -7.029 1.00 0.00 C ATOM 552 CG2 VAL I 3 3.002 -5.292 -6.800 1.00 0.00 C ATOM 0 H VAL I 3 1.304 -5.487 -9.556 1.00 0.00 H new ATOM 0 HA VAL I 3 0.626 -3.963 -7.084 1.00 0.00 H new ATOM 0 HB VAL I 3 3.240 -4.203 -8.644 1.00 0.00 H new ATOM 0 HG11 VAL I 3 4.175 -2.818 -6.815 1.00 0.00 H new ATOM 0 HG12 VAL I 3 2.892 -1.948 -7.688 1.00 0.00 H new ATOM 0 HG13 VAL I 3 2.553 -2.671 -6.098 1.00 0.00 H new ATOM 0 HG21 VAL I 3 4.071 -5.315 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL I 3 2.448 -5.194 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL I 3 2.712 -6.216 -7.299 1.00 0.00 H new ATOM 562 N HIS I 4 0.062 -1.944 -8.470 1.00 0.00 N ATOM 563 CA HIS I 4 -0.241 -0.777 -9.267 1.00 0.00 C ATOM 564 C HIS I 4 0.169 0.521 -8.578 1.00 0.00 C ATOM 565 O HIS I 4 -0.181 0.759 -7.419 1.00 0.00 O ATOM 566 CB HIS I 4 -1.743 -0.791 -9.596 1.00 0.00 C ATOM 567 CG HIS I 4 -2.007 0.082 -10.790 1.00 0.00 C ATOM 568 ND1 HIS I 4 -2.430 -0.398 -12.044 1.00 0.00 N ATOM 569 CD2 HIS I 4 -1.925 1.423 -10.911 1.00 0.00 C ATOM 570 CE1 HIS I 4 -2.583 0.668 -12.844 1.00 0.00 C ATOM 571 NE2 HIS I 4 -2.291 1.807 -12.203 1.00 0.00 N ATOM 0 H HIS I 4 -0.410 -1.977 -7.566 1.00 0.00 H new ATOM 0 HA HIS I 4 0.341 -0.817 -10.188 1.00 0.00 H new ATOM 0 HB2 HIS I 4 -2.071 -1.810 -9.799 1.00 0.00 H new ATOM 0 HB3 HIS I 4 -2.316 -0.436 -8.740 1.00 0.00 H new ATOM 0 HD2 HIS I 4 -1.621 2.099 -10.126 1.00 0.00 H new ATOM 0 HE1 HIS I 4 -2.901 0.614 -13.875 1.00 0.00 H new ATOM 0 HE2 HIS I 4 -2.328 2.755 -12.579 1.00 0.00 H new ATOM 579 N LEU I 5 0.887 1.374 -9.317 1.00 0.00 N ATOM 580 CA LEU I 5 1.334 2.668 -8.796 1.00 0.00 C ATOM 581 C LEU I 5 0.831 3.787 -9.696 1.00 0.00 C ATOM 582 O LEU I 5 1.203 3.867 -10.868 1.00 0.00 O ATOM 583 CB LEU I 5 2.873 2.662 -8.731 1.00 0.00 C ATOM 584 CG LEU I 5 3.447 4.047 -8.360 1.00 0.00 C ATOM 585 CD1 LEU I 5 3.445 4.997 -9.575 1.00 0.00 C ATOM 586 CD2 LEU I 5 2.643 4.663 -7.204 1.00 0.00 C ATOM 0 H LEU I 5 1.171 1.190 -10.279 1.00 0.00 H new ATOM 0 HA LEU I 5 0.933 2.836 -7.797 1.00 0.00 H new ATOM 0 HB2 LEU I 5 3.201 1.926 -7.997 1.00 0.00 H new ATOM 0 HB3 LEU I 5 3.274 2.351 -9.695 1.00 0.00 H new ATOM 0 HG LEU I 5 4.480 3.909 -8.042 1.00 0.00 H new ATOM 0 HD11 LEU I 5 3.855 5.964 -9.282 1.00 0.00 H new ATOM 0 HD12 LEU I 5 4.055 4.571 -10.371 1.00 0.00 H new ATOM 0 HD13 LEU I 5 2.424 5.129 -9.932 1.00 0.00 H new ATOM 0 HD21 LEU I 5 3.058 5.639 -6.952 1.00 0.00 H new ATOM 0 HD22 LEU I 5 1.602 4.778 -7.506 1.00 0.00 H new ATOM 0 HD23 LEU I 5 2.699 4.009 -6.333 1.00 0.00 H new ATOM 598 N GLN I 6 0.010 4.678 -9.131 1.00 0.00 N ATOM 599 CA GLN I 6 -0.504 5.825 -9.874 1.00 0.00 C ATOM 600 C GLN I 6 -0.302 7.093 -9.047 1.00 0.00 C ATOM 601 O GLN I 6 -0.823 7.208 -7.933 1.00 0.00 O ATOM 602 CB GLN I 6 -1.989 5.615 -10.194 1.00 0.00 C ATOM 603 CG GLN I 6 -2.505 6.777 -11.048 1.00 0.00 C ATOM 604 CD GLN I 6 -4.004 6.628 -11.305 1.00 0.00 C ATOM 605 OE1 GLN I 6 -4.812 6.635 -10.369 1.00 0.00 O ATOM 606 NE2 GLN I 6 -4.424 6.485 -12.532 1.00 0.00 N ATOM 0 H GLN I 6 -0.310 4.624 -8.164 1.00 0.00 H new ATOM 0 HA GLN I 6 0.037 5.928 -10.815 1.00 0.00 H new ATOM 0 HB2 GLN I 6 -2.126 4.673 -10.724 1.00 0.00 H new ATOM 0 HB3 GLN I 6 -2.564 5.547 -9.270 1.00 0.00 H new ATOM 0 HG2 GLN I 6 -2.309 7.723 -10.543 1.00 0.00 H new ATOM 0 HG3 GLN I 6 -1.968 6.805 -11.996 1.00 0.00 H new ATOM 0 HE21 GLN I 6 -3.756 6.480 -13.302 1.00 0.00 H new ATOM 0 HE22 GLN I 6 -5.421 6.379 -12.721 1.00 0.00 H new ATOM 615 N ILE I 7 0.457 8.046 -9.598 1.00 0.00 N ATOM 616 CA ILE I 7 0.725 9.311 -8.905 1.00 0.00 C ATOM 617 C ILE I 7 0.472 10.482 -9.849 1.00 0.00 C ATOM 618 O ILE I 7 -0.622 10.555 -10.383 1.00 0.00 O ATOM 619 CB ILE I 7 2.183 9.369 -8.399 1.00 0.00 C ATOM 620 CG1 ILE I 7 2.596 8.028 -7.783 1.00 0.00 C ATOM 621 CG2 ILE I 7 2.312 10.438 -7.331 1.00 0.00 C ATOM 622 CD1 ILE I 7 4.052 8.066 -7.272 1.00 0.00 C ATOM 623 OXT ILE I 7 1.372 11.288 -10.024 1.00 0.00 O ATOM 0 H ILE I 7 0.894 7.967 -10.516 1.00 0.00 H new ATOM 0 HA ILE I 7 0.056 9.375 -8.047 1.00 0.00 H new ATOM 0 HB ILE I 7 2.827 9.596 -9.249 1.00 0.00 H new ATOM 0 HG12 ILE I 7 1.926 7.783 -6.959 1.00 0.00 H new ATOM 0 HG13 ILE I 7 2.490 7.237 -8.526 1.00 0.00 H new ATOM 0 HG21 ILE I 7 3.342 10.476 -6.977 1.00 0.00 H new ATOM 0 HG22 ILE I 7 2.037 11.406 -7.750 1.00 0.00 H new ATOM 0 HG23 ILE I 7 1.650 10.202 -6.498 1.00 0.00 H new ATOM 0 HD11 ILE I 7 4.312 7.099 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE I 7 4.723 8.286 -8.102 1.00 0.00 H new ATOM 0 HD13 ILE I 7 4.150 8.840 -6.511 1.00 0.00 H new ATOM 636 N ILE K 1 4.377 -11.793 -11.513 1.00 0.00 N ATOM 637 CA ILE K 1 4.296 -10.482 -10.805 1.00 0.00 C ATOM 638 C ILE K 1 4.145 -9.371 -11.835 1.00 0.00 C ATOM 639 O ILE K 1 5.029 -9.169 -12.666 1.00 0.00 O ATOM 640 CB ILE K 1 5.580 -10.259 -9.980 1.00 0.00 C ATOM 641 CG1 ILE K 1 5.657 -11.319 -8.874 1.00 0.00 C ATOM 642 CG2 ILE K 1 5.562 -8.866 -9.348 1.00 0.00 C ATOM 643 CD1 ILE K 1 7.037 -11.282 -8.221 1.00 0.00 C ATOM 0 H1 ILE K 1 4.044 -12.550 -10.882 1.00 0.00 H new ATOM 0 H2 ILE K 1 3.781 -11.765 -12.365 1.00 0.00 H new ATOM 0 H3 ILE K 1 5.363 -11.979 -11.787 1.00 0.00 H new ATOM 0 HA ILE K 1 3.437 -10.477 -10.133 1.00 0.00 H new ATOM 0 HB ILE K 1 6.448 -10.341 -10.635 1.00 0.00 H new ATOM 0 HG12 ILE K 1 4.885 -11.135 -8.126 1.00 0.00 H new ATOM 0 HG13 ILE K 1 5.468 -12.308 -9.291 1.00 0.00 H new ATOM 0 HG21 ILE K 1 6.473 -8.718 -8.768 1.00 0.00 H new ATOM 0 HG22 ILE K 1 5.505 -8.111 -10.132 1.00 0.00 H new ATOM 0 HG23 ILE K 1 4.695 -8.775 -8.693 1.00 0.00 H new ATOM 0 HD11 ILE K 1 7.088 -12.036 -7.436 1.00 0.00 H new ATOM 0 HD12 ILE K 1 7.800 -11.487 -8.972 1.00 0.00 H new ATOM 0 HD13 ILE K 1 7.209 -10.296 -7.789 1.00 0.00 H new ATOM 657 N HIS K 2 3.034 -8.631 -11.767 1.00 0.00 N ATOM 658 CA HIS K 2 2.822 -7.522 -12.699 1.00 0.00 C ATOM 659 C HIS K 2 2.988 -6.207 -11.947 1.00 0.00 C ATOM 660 O HIS K 2 2.283 -5.950 -10.973 1.00 0.00 O ATOM 661 CB HIS K 2 1.388 -7.583 -13.276 1.00 0.00 C ATOM 662 CG HIS K 2 1.335 -8.466 -14.497 1.00 0.00 C ATOM 663 ND1 HIS K 2 1.013 -7.969 -15.754 1.00 0.00 N ATOM 664 CD2 HIS K 2 1.530 -9.815 -14.666 1.00 0.00 C ATOM 665 CE1 HIS K 2 1.024 -9.006 -16.612 1.00 0.00 C ATOM 666 NE2 HIS K 2 1.334 -10.154 -16.002 1.00 0.00 N ATOM 0 H HIS K 2 2.283 -8.775 -11.092 1.00 0.00 H new ATOM 0 HA HIS K 2 3.545 -7.593 -13.512 1.00 0.00 H new ATOM 0 HB2 HIS K 2 0.703 -7.963 -12.518 1.00 0.00 H new ATOM 0 HB3 HIS K 2 1.053 -6.578 -13.534 1.00 0.00 H new ATOM 0 HD2 HIS K 2 1.795 -10.508 -13.881 1.00 0.00 H new ATOM 0 HE1 HIS K 2 0.808 -8.921 -17.667 1.00 0.00 H new ATOM 0 HE2 HIS K 2 1.411 -11.079 -16.424 1.00 0.00 H new ATOM 674 N VAL K 3 3.888 -5.359 -12.437 1.00 0.00 N ATOM 675 CA VAL K 3 4.104 -4.044 -11.838 1.00 0.00 C ATOM 676 C VAL K 3 3.719 -2.962 -12.841 1.00 0.00 C ATOM 677 O VAL K 3 4.232 -2.947 -13.960 1.00 0.00 O ATOM 678 CB VAL K 3 5.573 -3.896 -11.432 1.00 0.00 C ATOM 679 CG1 VAL K 3 5.823 -2.473 -10.923 1.00 0.00 C ATOM 680 CG2 VAL K 3 5.908 -4.897 -10.329 1.00 0.00 C ATOM 0 H VAL K 3 4.478 -5.557 -13.245 1.00 0.00 H new ATOM 0 HA VAL K 3 3.484 -3.940 -10.948 1.00 0.00 H new ATOM 0 HB VAL K 3 6.206 -4.090 -12.298 1.00 0.00 H new ATOM 0 HG11 VAL K 3 6.869 -2.368 -10.634 1.00 0.00 H new ATOM 0 HG12 VAL K 3 5.591 -1.758 -11.713 1.00 0.00 H new ATOM 0 HG13 VAL K 3 5.187 -2.278 -10.059 1.00 0.00 H new ATOM 0 HG21 VAL K 3 6.954 -4.788 -10.044 1.00 0.00 H new ATOM 0 HG22 VAL K 3 5.274 -4.709 -9.462 1.00 0.00 H new ATOM 0 HG23 VAL K 3 5.735 -5.910 -10.692 1.00 0.00 H new ATOM 690 N HIS K 4 2.838 -2.045 -12.442 1.00 0.00 N ATOM 691 CA HIS K 4 2.426 -0.950 -13.335 1.00 0.00 C ATOM 692 C HIS K 4 2.847 0.377 -12.709 1.00 0.00 C ATOM 693 O HIS K 4 2.573 0.623 -11.536 1.00 0.00 O ATOM 694 CB HIS K 4 0.889 -1.001 -13.555 1.00 0.00 C ATOM 695 CG HIS K 4 0.459 -2.342 -14.159 1.00 0.00 C ATOM 696 ND1 HIS K 4 -0.705 -3.019 -13.758 1.00 0.00 N ATOM 697 CD2 HIS K 4 1.025 -3.147 -15.130 1.00 0.00 C ATOM 698 CE1 HIS K 4 -0.781 -4.158 -14.471 1.00 0.00 C ATOM 699 NE2 HIS K 4 0.245 -4.288 -15.319 1.00 0.00 N ATOM 0 H HIS K 4 2.399 -2.033 -11.522 1.00 0.00 H new ATOM 0 HA HIS K 4 2.908 -1.053 -14.307 1.00 0.00 H new ATOM 0 HB2 HIS K 4 0.378 -0.847 -12.605 1.00 0.00 H new ATOM 0 HB3 HIS K 4 0.586 -0.188 -14.215 1.00 0.00 H new ATOM 0 HD1 HIS K 4 -1.372 -2.704 -13.054 1.00 0.00 H new ATOM 0 HD2 HIS K 4 1.937 -2.925 -15.664 1.00 0.00 H new ATOM 0 HE1 HIS K 4 -1.576 -4.881 -14.370 1.00 0.00 H new ATOM 706 N LEU K 5 3.533 1.218 -13.484 1.00 0.00 N ATOM 707 CA LEU K 5 4.024 2.506 -12.972 1.00 0.00 C ATOM 708 C LEU K 5 3.497 3.653 -13.824 1.00 0.00 C ATOM 709 O LEU K 5 3.753 3.705 -15.028 1.00 0.00 O ATOM 710 CB LEU K 5 5.553 2.496 -13.043 1.00 0.00 C ATOM 711 CG LEU K 5 6.102 1.206 -12.410 1.00 0.00 C ATOM 712 CD1 LEU K 5 7.619 1.151 -12.604 1.00 0.00 C ATOM 713 CD2 LEU K 5 5.784 1.172 -10.911 1.00 0.00 C ATOM 0 H LEU K 5 3.762 1.036 -14.461 1.00 0.00 H new ATOM 0 HA LEU K 5 3.681 2.645 -11.947 1.00 0.00 H new ATOM 0 HB2 LEU K 5 5.877 2.568 -14.081 1.00 0.00 H new ATOM 0 HB3 LEU K 5 5.955 3.365 -12.523 1.00 0.00 H new ATOM 0 HG LEU K 5 5.633 0.349 -12.893 1.00 0.00 H new ATOM 0 HD11 LEU K 5 8.010 0.238 -12.156 1.00 0.00 H new ATOM 0 HD12 LEU K 5 7.850 1.161 -13.669 1.00 0.00 H new ATOM 0 HD13 LEU K 5 8.079 2.016 -12.125 1.00 0.00 H new ATOM 0 HD21 LEU K 5 6.178 0.254 -10.476 1.00 0.00 H new ATOM 0 HD22 LEU K 5 6.243 2.031 -10.422 1.00 0.00 H new ATOM 0 HD23 LEU K 5 4.704 1.207 -10.767 1.00 0.00 H new ATOM 725 N GLN K 6 2.784 4.589 -13.203 1.00 0.00 N ATOM 726 CA GLN K 6 2.260 5.741 -13.933 1.00 0.00 C ATOM 727 C GLN K 6 2.503 7.001 -13.117 1.00 0.00 C ATOM 728 O GLN K 6 1.898 7.199 -12.062 1.00 0.00 O ATOM 729 CB GLN K 6 0.760 5.554 -14.202 1.00 0.00 C ATOM 730 CG GLN K 6 0.251 6.673 -15.115 1.00 0.00 C ATOM 731 CD GLN K 6 -1.260 6.545 -15.301 1.00 0.00 C ATOM 732 OE1 GLN K 6 -1.999 6.413 -14.324 1.00 0.00 O ATOM 733 NE2 GLN K 6 -1.764 6.559 -16.506 1.00 0.00 N ATOM 0 H GLN K 6 2.558 4.574 -12.209 1.00 0.00 H new ATOM 0 HA GLN K 6 2.771 5.832 -14.892 1.00 0.00 H new ATOM 0 HB2 GLN K 6 0.583 4.584 -14.667 1.00 0.00 H new ATOM 0 HB3 GLN K 6 0.209 5.561 -13.261 1.00 0.00 H new ATOM 0 HG2 GLN K 6 0.492 7.644 -14.683 1.00 0.00 H new ATOM 0 HG3 GLN K 6 0.751 6.621 -16.082 1.00 0.00 H new ATOM 0 HE21 GLN K 6 -1.151 6.668 -17.314 1.00 0.00 H new ATOM 0 HE22 GLN K 6 -2.770 6.461 -16.639 1.00 0.00 H new ATOM 742 N ILE K 7 3.413 7.841 -13.604 1.00 0.00 N ATOM 743 CA ILE K 7 3.763 9.077 -12.907 1.00 0.00 C ATOM 744 C ILE K 7 3.744 10.257 -13.874 1.00 0.00 C ATOM 745 O ILE K 7 3.305 10.069 -14.996 1.00 0.00 O ATOM 746 CB ILE K 7 5.166 8.938 -12.286 1.00 0.00 C ATOM 747 CG1 ILE K 7 6.148 8.287 -13.302 1.00 0.00 C ATOM 748 CG2 ILE K 7 5.077 8.078 -11.019 1.00 0.00 C ATOM 749 CD1 ILE K 7 6.184 6.755 -13.148 1.00 0.00 C ATOM 750 OXT ILE K 7 4.162 11.331 -13.475 1.00 0.00 O ATOM 0 H ILE K 7 3.920 7.690 -14.476 1.00 0.00 H new ATOM 0 HA ILE K 7 3.031 9.258 -12.120 1.00 0.00 H new ATOM 0 HB ILE K 7 5.542 9.928 -12.030 1.00 0.00 H new ATOM 0 HG12 ILE K 7 5.847 8.545 -14.317 1.00 0.00 H new ATOM 0 HG13 ILE K 7 7.149 8.693 -13.154 1.00 0.00 H new ATOM 0 HG21 ILE K 7 6.068 7.978 -10.577 1.00 0.00 H new ATOM 0 HG22 ILE K 7 4.407 8.553 -10.303 1.00 0.00 H new ATOM 0 HG23 ILE K 7 4.693 7.091 -11.276 1.00 0.00 H new ATOM 0 HD11 ILE K 7 6.880 6.333 -13.873 1.00 0.00 H new ATOM 0 HD12 ILE K 7 6.510 6.498 -12.140 1.00 0.00 H new ATOM 0 HD13 ILE K 7 5.188 6.348 -13.322 1.00 0.00 H new ATOM 763 N ILE O 1 -4.081 11.543 12.941 1.00 0.00 N ATOM 764 CA ILE O 1 -4.762 10.288 13.363 1.00 0.00 C ATOM 765 C ILE O 1 -3.875 9.086 13.043 1.00 0.00 C ATOM 766 O ILE O 1 -3.276 8.995 11.964 1.00 0.00 O ATOM 767 CB ILE O 1 -6.107 10.159 12.637 1.00 0.00 C ATOM 768 CG1 ILE O 1 -7.068 11.235 13.150 1.00 0.00 C ATOM 769 CG2 ILE O 1 -6.705 8.778 12.905 1.00 0.00 C ATOM 770 CD1 ILE O 1 -8.315 11.290 12.262 1.00 0.00 C ATOM 0 H1 ILE O 1 -4.440 12.340 13.505 1.00 0.00 H new ATOM 0 H2 ILE O 1 -3.056 11.449 13.089 1.00 0.00 H new ATOM 0 H3 ILE O 1 -4.270 11.719 11.934 1.00 0.00 H new ATOM 0 HA ILE O 1 -4.941 10.319 14.438 1.00 0.00 H new ATOM 0 HB ILE O 1 -5.952 10.286 11.566 1.00 0.00 H new ATOM 0 HG12 ILE O 1 -7.354 11.018 14.179 1.00 0.00 H new ATOM 0 HG13 ILE O 1 -6.572 12.205 13.155 1.00 0.00 H new ATOM 0 HG21 ILE O 1 -7.661 8.689 12.388 1.00 0.00 H new ATOM 0 HG22 ILE O 1 -6.023 8.009 12.542 1.00 0.00 H new ATOM 0 HG23 ILE O 1 -6.859 8.650 13.976 1.00 0.00 H new ATOM 0 HD11 ILE O 1 -8.993 12.058 12.634 1.00 0.00 H new ATOM 0 HD12 ILE O 1 -8.023 11.528 11.239 1.00 0.00 H new ATOM 0 HD13 ILE O 1 -8.817 10.323 12.280 1.00 0.00 H new ATOM 784 N HIS O 2 -3.804 8.155 13.992 1.00 0.00 N ATOM 785 CA HIS O 2 -3.017 6.966 13.816 1.00 0.00 C ATOM 786 C HIS O 2 -3.939 5.753 13.761 1.00 0.00 C ATOM 787 O HIS O 2 -4.679 5.488 14.709 1.00 0.00 O ATOM 788 CB HIS O 2 -2.096 6.878 15.049 1.00 0.00 C ATOM 789 CG HIS O 2 -1.456 5.527 15.167 1.00 0.00 C ATOM 790 ND1 HIS O 2 -1.097 4.972 16.401 1.00 0.00 N ATOM 791 CD2 HIS O 2 -1.061 4.630 14.223 1.00 0.00 C ATOM 792 CE1 HIS O 2 -0.513 3.793 16.158 1.00 0.00 C ATOM 793 NE2 HIS O 2 -0.459 3.529 14.853 1.00 0.00 N ATOM 0 H HIS O 2 -4.288 8.214 14.888 1.00 0.00 H new ATOM 0 HA HIS O 2 -2.439 6.992 12.892 1.00 0.00 H new ATOM 0 HB2 HIS O 2 -1.322 7.643 14.981 1.00 0.00 H new ATOM 0 HB3 HIS O 2 -2.673 7.088 15.950 1.00 0.00 H new ATOM 0 HD1 HIS O 2 -1.252 5.390 17.318 1.00 0.00 H new ATOM 0 HD2 HIS O 2 -1.190 4.747 13.157 1.00 0.00 H new ATOM 0 HE1 HIS O 2 -0.132 3.136 16.926 1.00 0.00 H new ATOM 800 N VAL O 3 -3.856 4.991 12.671 1.00 0.00 N ATOM 801 CA VAL O 3 -4.656 3.772 12.532 1.00 0.00 C ATOM 802 C VAL O 3 -3.739 2.580 12.426 1.00 0.00 C ATOM 803 O VAL O 3 -2.910 2.508 11.514 1.00 0.00 O ATOM 804 CB VAL O 3 -5.523 3.858 11.281 1.00 0.00 C ATOM 805 CG1 VAL O 3 -6.344 2.568 11.142 1.00 0.00 C ATOM 806 CG2 VAL O 3 -6.458 5.084 11.383 1.00 0.00 C ATOM 0 H VAL O 3 -3.249 5.193 11.877 1.00 0.00 H new ATOM 0 HA VAL O 3 -5.299 3.664 13.406 1.00 0.00 H new ATOM 0 HB VAL O 3 -4.891 3.972 10.400 1.00 0.00 H new ATOM 0 HG11 VAL O 3 -6.965 2.627 10.248 1.00 0.00 H new ATOM 0 HG12 VAL O 3 -5.670 1.715 11.061 1.00 0.00 H new ATOM 0 HG13 VAL O 3 -6.980 2.445 12.019 1.00 0.00 H new ATOM 0 HG21 VAL O 3 -7.077 5.145 10.488 1.00 0.00 H new ATOM 0 HG22 VAL O 3 -7.097 4.982 12.260 1.00 0.00 H new ATOM 0 HG23 VAL O 3 -5.860 5.991 11.473 1.00 0.00 H new ATOM 816 N HIS O 4 -3.891 1.625 13.347 1.00 0.00 N ATOM 817 CA HIS O 4 -3.082 0.433 13.339 1.00 0.00 C ATOM 818 C HIS O 4 -3.919 -0.829 13.170 1.00 0.00 C ATOM 819 O HIS O 4 -4.908 -1.028 13.869 1.00 0.00 O ATOM 820 CB HIS O 4 -2.255 0.396 14.635 1.00 0.00 C ATOM 821 CG HIS O 4 -1.062 -0.499 14.449 1.00 0.00 C ATOM 822 ND1 HIS O 4 0.272 -0.049 14.434 1.00 0.00 N ATOM 823 CD2 HIS O 4 -1.007 -1.836 14.271 1.00 0.00 C ATOM 824 CE1 HIS O 4 1.051 -1.126 14.251 1.00 0.00 C ATOM 825 NE2 HIS O 4 0.322 -2.245 14.147 1.00 0.00 N ATOM 0 H HIS O 4 -4.573 1.667 14.104 1.00 0.00 H new ATOM 0 HA HIS O 4 -2.413 0.462 12.479 1.00 0.00 H new ATOM 0 HB2 HIS O 4 -1.929 1.402 14.899 1.00 0.00 H new ATOM 0 HB3 HIS O 4 -2.869 0.033 15.459 1.00 0.00 H new ATOM 0 HD2 HIS O 4 -1.864 -2.492 14.231 1.00 0.00 H new ATOM 0 HE1 HIS O 4 2.129 -1.095 14.195 1.00 0.00 H new ATOM 0 HE2 HIS O 4 0.665 -3.195 14.007 1.00 0.00 H new ATOM 833 N LEU O 5 -3.493 -1.693 12.249 1.00 0.00 N ATOM 834 CA LEU O 5 -4.179 -2.959 11.995 1.00 0.00 C ATOM 835 C LEU O 5 -3.172 -4.096 12.106 1.00 0.00 C ATOM 836 O LEU O 5 -2.187 -4.138 11.370 1.00 0.00 O ATOM 837 CB LEU O 5 -4.800 -2.917 10.584 1.00 0.00 C ATOM 838 CG LEU O 5 -5.390 -4.284 10.168 1.00 0.00 C ATOM 839 CD1 LEU O 5 -4.286 -5.259 9.721 1.00 0.00 C ATOM 840 CD2 LEU O 5 -6.201 -4.886 11.330 1.00 0.00 C ATOM 0 H LEU O 5 -2.672 -1.538 11.664 1.00 0.00 H new ATOM 0 HA LEU O 5 -4.973 -3.119 12.724 1.00 0.00 H new ATOM 0 HB2 LEU O 5 -5.584 -2.160 10.556 1.00 0.00 H new ATOM 0 HB3 LEU O 5 -4.040 -2.616 9.863 1.00 0.00 H new ATOM 0 HG LEU O 5 -6.053 -4.122 9.318 1.00 0.00 H new ATOM 0 HD11 LEU O 5 -4.735 -6.210 9.435 1.00 0.00 H new ATOM 0 HD12 LEU O 5 -3.753 -4.839 8.868 1.00 0.00 H new ATOM 0 HD13 LEU O 5 -3.588 -5.419 10.542 1.00 0.00 H new ATOM 0 HD21 LEU O 5 -6.612 -5.849 11.026 1.00 0.00 H new ATOM 0 HD22 LEU O 5 -5.551 -5.025 12.194 1.00 0.00 H new ATOM 0 HD23 LEU O 5 -7.015 -4.211 11.594 1.00 0.00 H new ATOM 852 N GLN O 6 -3.444 -5.038 13.005 1.00 0.00 N ATOM 853 CA GLN O 6 -2.589 -6.206 13.180 1.00 0.00 C ATOM 854 C GLN O 6 -3.479 -7.440 13.303 1.00 0.00 C ATOM 855 O GLN O 6 -4.302 -7.528 14.214 1.00 0.00 O ATOM 856 CB GLN O 6 -1.722 -6.041 14.433 1.00 0.00 C ATOM 857 CG GLN O 6 -0.767 -7.232 14.556 1.00 0.00 C ATOM 858 CD GLN O 6 0.035 -7.132 15.848 1.00 0.00 C ATOM 859 OE1 GLN O 6 -0.539 -7.124 16.938 1.00 0.00 O ATOM 860 NE2 GLN O 6 1.335 -7.053 15.790 1.00 0.00 N ATOM 0 H GLN O 6 -4.253 -5.014 13.625 1.00 0.00 H new ATOM 0 HA GLN O 6 -1.924 -6.316 12.323 1.00 0.00 H new ATOM 0 HB2 GLN O 6 -1.155 -5.112 14.376 1.00 0.00 H new ATOM 0 HB3 GLN O 6 -2.354 -5.975 15.319 1.00 0.00 H new ATOM 0 HG2 GLN O 6 -1.332 -8.164 14.541 1.00 0.00 H new ATOM 0 HG3 GLN O 6 -0.091 -7.256 13.701 1.00 0.00 H new ATOM 0 HE21 GLN O 6 1.807 -7.060 14.886 1.00 0.00 H new ATOM 0 HE22 GLN O 6 1.881 -6.984 16.649 1.00 0.00 H new ATOM 869 N ILE O 7 -3.320 -8.392 12.381 1.00 0.00 N ATOM 870 CA ILE O 7 -4.130 -9.618 12.403 1.00 0.00 C ATOM 871 C ILE O 7 -3.216 -10.836 12.312 1.00 0.00 C ATOM 872 O ILE O 7 -2.313 -10.933 13.128 1.00 0.00 O ATOM 873 CB ILE O 7 -5.122 -9.635 11.225 1.00 0.00 C ATOM 874 CG1 ILE O 7 -5.792 -8.271 11.066 1.00 0.00 C ATOM 875 CG2 ILE O 7 -6.221 -10.653 11.470 1.00 0.00 C ATOM 876 CD1 ILE O 7 -6.744 -8.270 9.852 1.00 0.00 C ATOM 877 OXT ILE O 7 -3.424 -11.649 11.426 1.00 0.00 O ATOM 0 H ILE O 7 -2.646 -8.342 11.617 1.00 0.00 H new ATOM 0 HA ILE O 7 -4.693 -9.646 13.336 1.00 0.00 H new ATOM 0 HB ILE O 7 -4.557 -9.889 10.328 1.00 0.00 H new ATOM 0 HG12 ILE O 7 -6.348 -8.026 11.971 1.00 0.00 H new ATOM 0 HG13 ILE O 7 -5.032 -7.500 10.940 1.00 0.00 H new ATOM 0 HG21 ILE O 7 -6.913 -10.651 10.628 1.00 0.00 H new ATOM 0 HG22 ILE O 7 -5.781 -11.645 11.577 1.00 0.00 H new ATOM 0 HG23 ILE O 7 -6.759 -10.395 12.382 1.00 0.00 H new ATOM 0 HD11 ILE O 7 -7.211 -7.290 9.757 1.00 0.00 H new ATOM 0 HD12 ILE O 7 -6.179 -8.493 8.947 1.00 0.00 H new ATOM 0 HD13 ILE O 7 -7.515 -9.027 9.994 1.00 0.00 H new ATOM 890 N ILE Q 1 -1.415 11.536 8.838 1.00 0.00 N ATOM 891 CA ILE Q 1 -2.112 10.273 9.218 1.00 0.00 C ATOM 892 C ILE Q 1 -1.165 9.104 8.979 1.00 0.00 C ATOM 893 O ILE Q 1 -0.603 8.962 7.887 1.00 0.00 O ATOM 894 CB ILE Q 1 -3.385 10.102 8.368 1.00 0.00 C ATOM 895 CG1 ILE Q 1 -4.365 11.239 8.689 1.00 0.00 C ATOM 896 CG2 ILE Q 1 -4.044 8.761 8.695 1.00 0.00 C ATOM 897 CD1 ILE Q 1 -5.493 11.255 7.657 1.00 0.00 C ATOM 0 H1 ILE Q 1 -1.604 12.266 9.554 1.00 0.00 H new ATOM 0 H2 ILE Q 1 -0.391 11.364 8.781 1.00 0.00 H new ATOM 0 H3 ILE Q 1 -1.763 11.860 7.913 1.00 0.00 H new ATOM 0 HA ILE Q 1 -2.398 10.308 10.269 1.00 0.00 H new ATOM 0 HB ILE Q 1 -3.122 10.129 7.311 1.00 0.00 H new ATOM 0 HG12 ILE Q 1 -4.777 11.106 9.689 1.00 0.00 H new ATOM 0 HG13 ILE Q 1 -3.842 12.195 8.685 1.00 0.00 H new ATOM 0 HG21 ILE Q 1 -4.945 8.642 8.093 1.00 0.00 H new ATOM 0 HG22 ILE Q 1 -3.349 7.951 8.474 1.00 0.00 H new ATOM 0 HG23 ILE Q 1 -4.308 8.734 9.752 1.00 0.00 H new ATOM 0 HD11 ILE Q 1 -6.186 12.063 7.888 1.00 0.00 H new ATOM 0 HD12 ILE Q 1 -5.074 11.410 6.663 1.00 0.00 H new ATOM 0 HD13 ILE Q 1 -6.024 10.303 7.683 1.00 0.00 H new ATOM 911 N HIS Q 2 -0.980 8.258 9.995 1.00 0.00 N ATOM 912 CA HIS Q 2 -0.096 7.096 9.834 1.00 0.00 C ATOM 913 C HIS Q 2 -0.928 5.819 9.852 1.00 0.00 C ATOM 914 O HIS Q 2 -1.635 5.548 10.823 1.00 0.00 O ATOM 915 CB HIS Q 2 0.938 7.055 10.984 1.00 0.00 C ATOM 916 CG HIS Q 2 2.156 7.885 10.639 1.00 0.00 C ATOM 917 ND1 HIS Q 2 3.419 7.323 10.479 1.00 0.00 N ATOM 918 CD2 HIS Q 2 2.323 9.233 10.429 1.00 0.00 C ATOM 919 CE1 HIS Q 2 4.273 8.322 10.189 1.00 0.00 C ATOM 920 NE2 HIS Q 2 3.657 9.505 10.145 1.00 0.00 N ATOM 0 H HIS Q 2 -1.415 8.348 10.913 1.00 0.00 H new ATOM 0 HA HIS Q 2 0.431 7.177 8.883 1.00 0.00 H new ATOM 0 HB2 HIS Q 2 0.484 7.430 11.901 1.00 0.00 H new ATOM 0 HB3 HIS Q 2 1.236 6.024 11.175 1.00 0.00 H new ATOM 0 HD2 HIS Q 2 1.536 9.971 10.477 1.00 0.00 H new ATOM 0 HE1 HIS Q 2 5.329 8.183 10.013 1.00 0.00 H new ATOM 0 HE2 HIS Q 2 4.075 10.414 9.946 1.00 0.00 H new ATOM 928 N VAL Q 3 -0.799 5.011 8.799 1.00 0.00 N ATOM 929 CA VAL Q 3 -1.507 3.731 8.732 1.00 0.00 C ATOM 930 C VAL Q 3 -0.504 2.590 8.719 1.00 0.00 C ATOM 931 O VAL Q 3 0.369 2.546 7.847 1.00 0.00 O ATOM 932 CB VAL Q 3 -2.363 3.672 7.468 1.00 0.00 C ATOM 933 CG1 VAL Q 3 -3.010 2.291 7.358 1.00 0.00 C ATOM 934 CG2 VAL Q 3 -3.457 4.742 7.541 1.00 0.00 C ATOM 0 H VAL Q 3 -0.217 5.217 7.987 1.00 0.00 H new ATOM 0 HA VAL Q 3 -2.152 3.638 9.606 1.00 0.00 H new ATOM 0 HB VAL Q 3 -1.736 3.853 6.595 1.00 0.00 H new ATOM 0 HG11 VAL Q 3 -3.621 2.246 6.457 1.00 0.00 H new ATOM 0 HG12 VAL Q 3 -2.233 1.528 7.308 1.00 0.00 H new ATOM 0 HG13 VAL Q 3 -3.637 2.113 8.231 1.00 0.00 H new ATOM 0 HG21 VAL Q 3 -4.068 4.700 6.639 1.00 0.00 H new ATOM 0 HG22 VAL Q 3 -4.085 4.561 8.413 1.00 0.00 H new ATOM 0 HG23 VAL Q 3 -2.998 5.727 7.622 1.00 0.00 H new ATOM 944 N HIS Q 4 -0.642 1.645 9.649 1.00 0.00 N ATOM 945 CA HIS Q 4 0.261 0.484 9.688 1.00 0.00 C ATOM 946 C HIS Q 4 -0.563 -0.783 9.482 1.00 0.00 C ATOM 947 O HIS Q 4 -1.578 -0.972 10.150 1.00 0.00 O ATOM 948 CB HIS Q 4 1.019 0.444 11.044 1.00 0.00 C ATOM 949 CG HIS Q 4 1.781 1.753 11.295 1.00 0.00 C ATOM 950 ND1 HIS Q 4 1.814 2.379 12.552 1.00 0.00 N ATOM 951 CD2 HIS Q 4 2.531 2.569 10.466 1.00 0.00 C ATOM 952 CE1 HIS Q 4 2.547 3.503 12.429 1.00 0.00 C ATOM 953 NE2 HIS Q 4 3.006 3.668 11.183 1.00 0.00 N ATOM 0 H HIS Q 4 -1.357 1.654 10.377 1.00 0.00 H new ATOM 0 HA HIS Q 4 1.004 0.559 8.894 1.00 0.00 H new ATOM 0 HB2 HIS Q 4 0.311 0.272 11.854 1.00 0.00 H new ATOM 0 HB3 HIS Q 4 1.718 -0.393 11.048 1.00 0.00 H new ATOM 0 HD1 HIS Q 4 1.364 2.043 13.404 1.00 0.00 H new ATOM 0 HD2 HIS Q 4 2.721 2.383 9.419 1.00 0.00 H new ATOM 0 HE1 HIS Q 4 2.741 4.189 13.240 1.00 0.00 H new ATOM 960 N LEU Q 5 -0.150 -1.640 8.541 1.00 0.00 N ATOM 961 CA LEU Q 5 -0.909 -2.864 8.247 1.00 0.00 C ATOM 962 C LEU Q 5 -0.003 -4.086 8.338 1.00 0.00 C ATOM 963 O LEU Q 5 0.951 -4.212 7.563 1.00 0.00 O ATOM 964 CB LEU Q 5 -1.456 -2.773 6.825 1.00 0.00 C ATOM 965 CG LEU Q 5 -2.026 -1.370 6.562 1.00 0.00 C ATOM 966 CD1 LEU Q 5 -2.297 -1.200 5.071 1.00 0.00 C ATOM 967 CD2 LEU Q 5 -3.331 -1.177 7.345 1.00 0.00 C ATOM 0 H LEU Q 5 0.691 -1.514 7.978 1.00 0.00 H new ATOM 0 HA LEU Q 5 -1.719 -2.961 8.970 1.00 0.00 H new ATOM 0 HB2 LEU Q 5 -0.664 -2.991 6.109 1.00 0.00 H new ATOM 0 HB3 LEU Q 5 -2.234 -3.522 6.679 1.00 0.00 H new ATOM 0 HG LEU Q 5 -1.301 -0.625 6.889 1.00 0.00 H new ATOM 0 HD11 LEU Q 5 -2.701 -0.205 4.886 1.00 0.00 H new ATOM 0 HD12 LEU Q 5 -1.367 -1.323 4.516 1.00 0.00 H new ATOM 0 HD13 LEU Q 5 -3.017 -1.950 4.744 1.00 0.00 H new ATOM 0 HD21 LEU Q 5 -3.727 -0.180 7.152 1.00 0.00 H new ATOM 0 HD22 LEU Q 5 -4.059 -1.924 7.029 1.00 0.00 H new ATOM 0 HD23 LEU Q 5 -3.136 -1.290 8.411 1.00 0.00 H new ATOM 979 N GLN Q 6 -0.318 -4.997 9.251 1.00 0.00 N ATOM 980 CA GLN Q 6 0.468 -6.218 9.399 1.00 0.00 C ATOM 981 C GLN Q 6 -0.470 -7.413 9.431 1.00 0.00 C ATOM 982 O GLN Q 6 -1.226 -7.601 10.385 1.00 0.00 O ATOM 983 CB GLN Q 6 1.297 -6.145 10.686 1.00 0.00 C ATOM 984 CG GLN Q 6 2.220 -7.361 10.777 1.00 0.00 C ATOM 985 CD GLN Q 6 2.979 -7.335 12.098 1.00 0.00 C ATOM 986 OE1 GLN Q 6 2.369 -7.378 13.166 1.00 0.00 O ATOM 987 NE2 GLN Q 6 4.282 -7.252 12.087 1.00 0.00 N ATOM 0 H GLN Q 6 -1.105 -4.916 9.895 1.00 0.00 H new ATOM 0 HA GLN Q 6 1.151 -6.326 8.556 1.00 0.00 H new ATOM 0 HB2 GLN Q 6 1.886 -5.228 10.699 1.00 0.00 H new ATOM 0 HB3 GLN Q 6 0.637 -6.112 11.553 1.00 0.00 H new ATOM 0 HG2 GLN Q 6 1.637 -8.278 10.700 1.00 0.00 H new ATOM 0 HG3 GLN Q 6 2.922 -7.359 9.943 1.00 0.00 H new ATOM 0 HE21 GLN Q 6 4.783 -7.217 11.199 1.00 0.00 H new ATOM 0 HE22 GLN Q 6 4.799 -7.223 12.966 1.00 0.00 H new ATOM 996 N ILE Q 7 -0.428 -8.212 8.366 1.00 0.00 N ATOM 997 CA ILE Q 7 -1.294 -9.385 8.258 1.00 0.00 C ATOM 998 C ILE Q 7 -0.461 -10.616 7.907 1.00 0.00 C ATOM 999 O ILE Q 7 0.753 -10.508 7.922 1.00 0.00 O ATOM 1000 CB ILE Q 7 -2.360 -9.147 7.166 1.00 0.00 C ATOM 1001 CG1 ILE Q 7 -1.727 -8.414 5.957 1.00 0.00 C ATOM 1002 CG2 ILE Q 7 -3.508 -8.309 7.740 1.00 0.00 C ATOM 1003 CD1 ILE Q 7 -1.844 -6.885 6.091 1.00 0.00 C ATOM 1004 OXT ILE Q 7 -1.052 -11.647 7.635 1.00 0.00 O ATOM 0 H ILE Q 7 0.193 -8.070 7.569 1.00 0.00 H new ATOM 0 HA ILE Q 7 -1.790 -9.552 9.214 1.00 0.00 H new ATOM 0 HB ILE Q 7 -2.749 -10.109 6.832 1.00 0.00 H new ATOM 0 HG12 ILE Q 7 -0.677 -8.692 5.872 1.00 0.00 H new ATOM 0 HG13 ILE Q 7 -2.217 -8.737 5.039 1.00 0.00 H new ATOM 0 HG21 ILE Q 7 -4.259 -8.143 6.967 1.00 0.00 H new ATOM 0 HG22 ILE Q 7 -3.961 -8.838 8.578 1.00 0.00 H new ATOM 0 HG23 ILE Q 7 -3.122 -7.349 8.083 1.00 0.00 H new ATOM 0 HD11 ILE Q 7 -1.388 -6.408 5.223 1.00 0.00 H new ATOM 0 HD12 ILE Q 7 -2.896 -6.604 6.149 1.00 0.00 H new ATOM 0 HD13 ILE Q 7 -1.331 -6.559 6.996 1.00 0.00 H new ATOM 1017 N ILE S 1 1.632 11.714 4.922 1.00 0.00 N ATOM 1018 CA ILE S 1 0.919 10.456 5.283 1.00 0.00 C ATOM 1019 C ILE S 1 1.834 9.264 5.053 1.00 0.00 C ATOM 1020 O ILE S 1 2.503 9.167 4.019 1.00 0.00 O ATOM 1021 CB ILE S 1 -0.345 10.325 4.428 1.00 0.00 C ATOM 1022 CG1 ILE S 1 -1.338 11.406 4.857 1.00 0.00 C ATOM 1023 CG2 ILE S 1 -0.964 8.940 4.613 1.00 0.00 C ATOM 1024 CD1 ILE S 1 -2.510 11.458 3.880 1.00 0.00 C ATOM 0 H1 ILE S 1 1.252 12.502 5.484 1.00 0.00 H new ATOM 0 H2 ILE S 1 2.647 11.606 5.119 1.00 0.00 H new ATOM 0 H3 ILE S 1 1.495 11.913 3.910 1.00 0.00 H new ATOM 0 HA ILE S 1 0.637 10.484 6.336 1.00 0.00 H new ATOM 0 HB ILE S 1 -0.094 10.450 3.375 1.00 0.00 H new ATOM 0 HG12 ILE S 1 -1.702 11.198 5.863 1.00 0.00 H new ATOM 0 HG13 ILE S 1 -0.840 12.375 4.892 1.00 0.00 H new ATOM 0 HG21 ILE S 1 -1.862 8.858 4.001 1.00 0.00 H new ATOM 0 HG22 ILE S 1 -0.247 8.177 4.309 1.00 0.00 H new ATOM 0 HG23 ILE S 1 -1.225 8.795 5.661 1.00 0.00 H new ATOM 0 HD11 ILE S 1 -3.212 12.231 4.194 1.00 0.00 H new ATOM 0 HD12 ILE S 1 -2.141 11.688 2.881 1.00 0.00 H new ATOM 0 HD13 ILE S 1 -3.016 10.493 3.867 1.00 0.00 H new ATOM 1038 N HIS S 2 1.845 8.341 6.018 1.00 0.00 N ATOM 1039 CA HIS S 2 2.661 7.155 5.899 1.00 0.00 C ATOM 1040 C HIS S 2 1.755 5.937 5.781 1.00 0.00 C ATOM 1041 O HIS S 2 0.956 5.666 6.677 1.00 0.00 O ATOM 1042 CB HIS S 2 3.503 7.058 7.189 1.00 0.00 C ATOM 1043 CG HIS S 2 4.171 5.717 7.299 1.00 0.00 C ATOM 1044 ND1 HIS S 2 4.482 5.119 8.530 1.00 0.00 N ATOM 1045 CD2 HIS S 2 4.633 4.863 6.343 1.00 0.00 C ATOM 1046 CE1 HIS S 2 5.101 3.962 8.268 1.00 0.00 C ATOM 1047 NE2 HIS S 2 5.225 3.750 6.962 1.00 0.00 N ATOM 0 H HIS S 2 1.300 8.401 6.878 1.00 0.00 H new ATOM 0 HA HIS S 2 3.304 7.199 5.020 1.00 0.00 H new ATOM 0 HB2 HIS S 2 4.257 7.845 7.195 1.00 0.00 H new ATOM 0 HB3 HIS S 2 2.864 7.222 8.057 1.00 0.00 H new ATOM 0 HD1 HIS S 2 4.274 5.497 9.454 1.00 0.00 H new ATOM 0 HD2 HIS S 2 4.556 5.018 5.277 1.00 0.00 H new ATOM 0 HE1 HIS S 2 5.457 3.282 9.027 1.00 0.00 H new ATOM 1054 N VAL S 3 1.920 5.177 4.698 1.00 0.00 N ATOM 1055 CA VAL S 3 1.142 3.951 4.506 1.00 0.00 C ATOM 1056 C VAL S 3 2.077 2.771 4.462 1.00 0.00 C ATOM 1057 O VAL S 3 2.952 2.713 3.593 1.00 0.00 O ATOM 1058 CB VAL S 3 0.377 4.032 3.185 1.00 0.00 C ATOM 1059 CG1 VAL S 3 -0.419 2.737 2.975 1.00 0.00 C ATOM 1060 CG2 VAL S 3 -0.574 5.246 3.210 1.00 0.00 C ATOM 0 H VAL S 3 2.578 5.385 3.947 1.00 0.00 H new ATOM 0 HA VAL S 3 0.438 3.836 5.330 1.00 0.00 H new ATOM 0 HB VAL S 3 1.080 4.154 2.361 1.00 0.00 H new ATOM 0 HG11 VAL S 3 -0.965 2.794 2.033 1.00 0.00 H new ATOM 0 HG12 VAL S 3 0.266 1.889 2.947 1.00 0.00 H new ATOM 0 HG13 VAL S 3 -1.124 2.606 3.796 1.00 0.00 H new ATOM 0 HG21 VAL S 3 -1.118 5.301 2.267 1.00 0.00 H new ATOM 0 HG22 VAL S 3 -1.282 5.137 4.032 1.00 0.00 H new ATOM 0 HG23 VAL S 3 0.005 6.159 3.349 1.00 0.00 H new ATOM 1070 N HIS S 4 1.895 1.809 5.377 1.00 0.00 N ATOM 1071 CA HIS S 4 2.727 0.632 5.401 1.00 0.00 C ATOM 1072 C HIS S 4 1.925 -0.648 5.194 1.00 0.00 C ATOM 1073 O HIS S 4 0.920 -0.881 5.869 1.00 0.00 O ATOM 1074 CB HIS S 4 3.497 0.606 6.731 1.00 0.00 C ATOM 1075 CG HIS S 4 4.703 -0.280 6.599 1.00 0.00 C ATOM 1076 ND1 HIS S 4 6.032 0.183 6.625 1.00 0.00 N ATOM 1077 CD2 HIS S 4 4.776 -1.620 6.451 1.00 0.00 C ATOM 1078 CE1 HIS S 4 6.826 -0.891 6.497 1.00 0.00 C ATOM 1079 NE2 HIS S 4 6.113 -2.018 6.391 1.00 0.00 N ATOM 0 H HIS S 4 1.178 1.836 6.102 1.00 0.00 H new ATOM 0 HA HIS S 4 3.430 0.679 4.569 1.00 0.00 H new ATOM 0 HB2 HIS S 4 3.803 1.616 7.005 1.00 0.00 H new ATOM 0 HB3 HIS S 4 2.851 0.241 7.530 1.00 0.00 H new ATOM 0 HD2 HIS S 4 3.927 -2.285 6.388 1.00 0.00 H new ATOM 0 HE1 HIS S 4 7.905 -0.851 6.481 1.00 0.00 H new ATOM 0 HE2 HIS S 4 6.471 -2.968 6.288 1.00 0.00 H new ATOM 1087 N LEU S 5 2.402 -1.493 4.276 1.00 0.00 N ATOM 1088 CA LEU S 5 1.752 -2.771 3.982 1.00 0.00 C ATOM 1089 C LEU S 5 2.751 -3.905 4.159 1.00 0.00 C ATOM 1090 O LEU S 5 3.763 -3.967 3.458 1.00 0.00 O ATOM 1091 CB LEU S 5 1.217 -2.731 2.538 1.00 0.00 C ATOM 1092 CG LEU S 5 0.667 -4.100 2.082 1.00 0.00 C ATOM 1093 CD1 LEU S 5 1.805 -5.059 1.692 1.00 0.00 C ATOM 1094 CD2 LEU S 5 -0.198 -4.721 3.190 1.00 0.00 C ATOM 0 H LEU S 5 3.239 -1.313 3.722 1.00 0.00 H new ATOM 0 HA LEU S 5 0.921 -2.941 4.666 1.00 0.00 H new ATOM 0 HB2 LEU S 5 0.429 -1.982 2.465 1.00 0.00 H new ATOM 0 HB3 LEU S 5 2.016 -2.420 1.865 1.00 0.00 H new ATOM 0 HG LEU S 5 0.050 -3.937 1.199 1.00 0.00 H new ATOM 0 HD11 LEU S 5 1.384 -6.013 1.376 1.00 0.00 H new ATOM 0 HD12 LEU S 5 2.380 -4.627 0.873 1.00 0.00 H new ATOM 0 HD13 LEU S 5 2.458 -5.217 2.550 1.00 0.00 H new ATOM 0 HD21 LEU S 5 -0.580 -5.686 2.856 1.00 0.00 H new ATOM 0 HD22 LEU S 5 0.405 -4.860 4.087 1.00 0.00 H new ATOM 0 HD23 LEU S 5 -1.034 -4.058 3.414 1.00 0.00 H new ATOM 1106 N GLN S 6 2.445 -4.827 5.073 1.00 0.00 N ATOM 1107 CA GLN S 6 3.297 -5.989 5.305 1.00 0.00 C ATOM 1108 C GLN S 6 2.425 -7.243 5.356 1.00 0.00 C ATOM 1109 O GLN S 6 1.538 -7.362 6.208 1.00 0.00 O ATOM 1110 CB GLN S 6 4.077 -5.815 6.613 1.00 0.00 C ATOM 1111 CG GLN S 6 5.032 -6.996 6.807 1.00 0.00 C ATOM 1112 CD GLN S 6 5.749 -6.886 8.150 1.00 0.00 C ATOM 1113 OE1 GLN S 6 5.110 -6.887 9.205 1.00 0.00 O ATOM 1114 NE2 GLN S 6 7.051 -6.787 8.173 1.00 0.00 N ATOM 0 H GLN S 6 1.614 -4.790 5.663 1.00 0.00 H new ATOM 0 HA GLN S 6 4.017 -6.088 4.493 1.00 0.00 H new ATOM 0 HB2 GLN S 6 4.638 -4.881 6.591 1.00 0.00 H new ATOM 0 HB3 GLN S 6 3.386 -5.752 7.454 1.00 0.00 H new ATOM 0 HG2 GLN S 6 4.476 -7.933 6.760 1.00 0.00 H new ATOM 0 HG3 GLN S 6 5.763 -7.018 5.998 1.00 0.00 H new ATOM 0 HE21 GLN S 6 7.578 -6.786 7.300 1.00 0.00 H new ATOM 0 HE22 GLN S 6 7.541 -6.710 9.064 1.00 0.00 H new ATOM 1123 N ILE S 7 2.680 -8.181 4.439 1.00 0.00 N ATOM 1124 CA ILE S 7 1.911 -9.429 4.382 1.00 0.00 C ATOM 1125 C ILE S 7 2.865 -10.618 4.330 1.00 0.00 C ATOM 1126 O ILE S 7 3.697 -10.719 5.214 1.00 0.00 O ATOM 1127 CB ILE S 7 0.994 -9.451 3.140 1.00 0.00 C ATOM 1128 CG1 ILE S 7 0.308 -8.095 2.946 1.00 0.00 C ATOM 1129 CG2 ILE S 7 -0.088 -10.501 3.313 1.00 0.00 C ATOM 1130 CD1 ILE S 7 -0.604 -8.102 1.701 1.00 0.00 C ATOM 1131 OXT ILE S 7 2.749 -11.408 3.406 1.00 0.00 O ATOM 0 H ILE S 7 3.409 -8.101 3.730 1.00 0.00 H new ATOM 0 HA ILE S 7 1.290 -9.493 5.276 1.00 0.00 H new ATOM 0 HB ILE S 7 1.615 -9.678 2.273 1.00 0.00 H new ATOM 0 HG12 ILE S 7 -0.282 -7.853 3.830 1.00 0.00 H new ATOM 0 HG13 ILE S 7 1.062 -7.315 2.843 1.00 0.00 H new ATOM 0 HG21 ILE S 7 -0.730 -10.510 2.433 1.00 0.00 H new ATOM 0 HG22 ILE S 7 0.373 -11.481 3.436 1.00 0.00 H new ATOM 0 HG23 ILE S 7 -0.684 -10.267 4.195 1.00 0.00 H new ATOM 0 HD11 ILE S 7 -1.076 -7.126 1.591 1.00 0.00 H new ATOM 0 HD12 ILE S 7 -0.008 -8.319 0.815 1.00 0.00 H new ATOM 0 HD13 ILE S 7 -1.373 -8.866 1.817 1.00 0.00 H new ATOM 1144 N ILE U 1 4.065 11.703 0.729 1.00 0.00 N ATOM 1145 CA ILE U 1 3.370 10.418 1.025 1.00 0.00 C ATOM 1146 C ILE U 1 4.362 9.276 0.838 1.00 0.00 C ATOM 1147 O ILE U 1 4.962 9.135 -0.231 1.00 0.00 O ATOM 1148 CB ILE U 1 2.174 10.243 0.066 1.00 0.00 C ATOM 1149 CG1 ILE U 1 1.146 11.353 0.329 1.00 0.00 C ATOM 1150 CG2 ILE U 1 1.516 8.879 0.291 1.00 0.00 C ATOM 1151 CD1 ILE U 1 0.106 11.369 -0.792 1.00 0.00 C ATOM 0 H1 ILE U 1 3.911 12.369 1.513 1.00 0.00 H new ATOM 0 H2 ILE U 1 5.084 11.529 0.617 1.00 0.00 H new ATOM 0 H3 ILE U 1 3.685 12.109 -0.150 1.00 0.00 H new ATOM 0 HA ILE U 1 2.998 10.419 2.050 1.00 0.00 H new ATOM 0 HB ILE U 1 2.529 10.303 -0.963 1.00 0.00 H new ATOM 0 HG12 ILE U 1 0.657 11.189 1.289 1.00 0.00 H new ATOM 0 HG13 ILE U 1 1.647 12.319 0.387 1.00 0.00 H new ATOM 0 HG21 ILE U 1 0.673 8.765 -0.390 1.00 0.00 H new ATOM 0 HG22 ILE U 1 2.243 8.089 0.104 1.00 0.00 H new ATOM 0 HG23 ILE U 1 1.163 8.811 1.320 1.00 0.00 H new ATOM 0 HD11 ILE U 1 -0.622 12.158 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE U 1 0.601 11.554 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE U 1 -0.404 10.406 -0.829 1.00 0.00 H new ATOM 1165 N HIS U 2 4.537 8.451 1.871 1.00 0.00 N ATOM 1166 CA HIS U 2 5.454 7.312 1.762 1.00 0.00 C ATOM 1167 C HIS U 2 4.650 6.017 1.764 1.00 0.00 C ATOM 1168 O HIS U 2 3.909 5.744 2.708 1.00 0.00 O ATOM 1169 CB HIS U 2 6.433 7.309 2.959 1.00 0.00 C ATOM 1170 CG HIS U 2 7.647 8.162 2.664 1.00 0.00 C ATOM 1171 ND1 HIS U 2 8.929 7.628 2.573 1.00 0.00 N ATOM 1172 CD2 HIS U 2 7.792 9.514 2.457 1.00 0.00 C ATOM 1173 CE1 HIS U 2 9.773 8.647 2.322 1.00 0.00 C ATOM 1174 NE2 HIS U 2 9.133 9.815 2.243 1.00 0.00 N ATOM 0 H HIS U 2 4.069 8.544 2.773 1.00 0.00 H new ATOM 0 HA HIS U 2 6.021 7.394 0.835 1.00 0.00 H new ATOM 0 HB2 HIS U 2 5.927 7.684 3.849 1.00 0.00 H new ATOM 0 HB3 HIS U 2 6.745 6.288 3.176 1.00 0.00 H new ATOM 0 HD2 HIS U 2 6.986 10.233 2.460 1.00 0.00 H new ATOM 0 HE1 HIS U 2 10.840 8.532 2.199 1.00 0.00 H new ATOM 0 HE2 HIS U 2 9.540 10.733 2.064 1.00 0.00 H new ATOM 1182 N VAL U 3 4.839 5.202 0.727 1.00 0.00 N ATOM 1183 CA VAL U 3 4.163 3.907 0.645 1.00 0.00 C ATOM 1184 C VAL U 3 5.194 2.788 0.685 1.00 0.00 C ATOM 1185 O VAL U 3 6.105 2.759 -0.145 1.00 0.00 O ATOM 1186 CB VAL U 3 3.361 3.821 -0.654 1.00 0.00 C ATOM 1187 CG1 VAL U 3 2.752 2.426 -0.789 1.00 0.00 C ATOM 1188 CG2 VAL U 3 2.240 4.865 -0.629 1.00 0.00 C ATOM 0 H VAL U 3 5.450 5.413 -0.063 1.00 0.00 H new ATOM 0 HA VAL U 3 3.484 3.804 1.492 1.00 0.00 H new ATOM 0 HB VAL U 3 4.021 4.012 -1.501 1.00 0.00 H new ATOM 0 HG11 VAL U 3 2.181 2.366 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL U 3 3.548 1.682 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL U 3 2.092 2.234 0.057 1.00 0.00 H new ATOM 0 HG21 VAL U 3 1.667 4.806 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL U 3 1.582 4.672 0.218 1.00 0.00 H new ATOM 0 HG23 VAL U 3 2.672 5.861 -0.533 1.00 0.00 H new ATOM 1198 N HIS U 4 5.037 1.849 1.618 1.00 0.00 N ATOM 1199 CA HIS U 4 5.964 0.713 1.711 1.00 0.00 C ATOM 1200 C HIS U 4 5.182 -0.573 1.470 1.00 0.00 C ATOM 1201 O HIS U 4 4.139 -0.785 2.086 1.00 0.00 O ATOM 1202 CB HIS U 4 6.642 0.701 3.109 1.00 0.00 C ATOM 1203 CG HIS U 4 7.370 2.024 3.387 1.00 0.00 C ATOM 1204 ND1 HIS U 4 7.336 2.664 4.636 1.00 0.00 N ATOM 1205 CD2 HIS U 4 8.146 2.843 2.586 1.00 0.00 C ATOM 1206 CE1 HIS U 4 8.055 3.797 4.536 1.00 0.00 C ATOM 1207 NE2 HIS U 4 8.567 3.957 3.315 1.00 0.00 N ATOM 0 H HIS U 4 4.290 1.848 2.312 1.00 0.00 H new ATOM 0 HA HIS U 4 6.748 0.800 0.959 1.00 0.00 H new ATOM 0 HB2 HIS U 4 5.890 0.528 3.879 1.00 0.00 H new ATOM 0 HB3 HIS U 4 7.351 -0.125 3.165 1.00 0.00 H new ATOM 0 HD2 HIS U 4 8.390 2.650 1.552 1.00 0.00 H new ATOM 0 HE1 HIS U 4 8.200 4.494 5.348 1.00 0.00 H new ATOM 0 HE2 HIS U 4 9.144 4.730 2.984 1.00 0.00 H new ATOM 1214 N LEU U 5 5.666 -1.421 0.554 1.00 0.00 N ATOM 1215 CA LEU U 5 4.955 -2.666 0.226 1.00 0.00 C ATOM 1216 C LEU U 5 5.882 -3.864 0.388 1.00 0.00 C ATOM 1217 O LEU U 5 6.892 -3.970 -0.317 1.00 0.00 O ATOM 1218 CB LEU U 5 4.503 -2.598 -1.228 1.00 0.00 C ATOM 1219 CG LEU U 5 3.881 -1.229 -1.532 1.00 0.00 C ATOM 1220 CD1 LEU U 5 3.661 -1.089 -3.037 1.00 0.00 C ATOM 1221 CD2 LEU U 5 2.541 -1.089 -0.804 1.00 0.00 C ATOM 0 H LEU U 5 6.531 -1.274 0.034 1.00 0.00 H new ATOM 0 HA LEU U 5 4.102 -2.778 0.896 1.00 0.00 H new ATOM 0 HB2 LEU U 5 5.353 -2.773 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU U 5 3.777 -3.386 -1.427 1.00 0.00 H new ATOM 0 HG LEU U 5 4.558 -0.447 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU U 5 3.219 -0.116 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU U 5 4.617 -1.175 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU U 5 2.990 -1.876 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU U 5 2.107 -0.114 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU U 5 1.862 -1.873 -1.138 1.00 0.00 H new ATOM 0 HD23 LEU U 5 2.700 -1.180 0.271 1.00 0.00 H new ATOM 1233 N GLN U 6 5.527 -4.781 1.282 1.00 0.00 N ATOM 1234 CA GLN U 6 6.334 -5.980 1.492 1.00 0.00 C ATOM 1235 C GLN U 6 5.427 -7.199 1.480 1.00 0.00 C ATOM 1236 O GLN U 6 4.617 -7.396 2.388 1.00 0.00 O ATOM 1237 CB GLN U 6 7.082 -5.869 2.824 1.00 0.00 C ATOM 1238 CG GLN U 6 8.023 -7.063 2.989 1.00 0.00 C ATOM 1239 CD GLN U 6 8.703 -7.004 4.352 1.00 0.00 C ATOM 1240 OE1 GLN U 6 8.032 -7.015 5.384 1.00 0.00 O ATOM 1241 NE2 GLN U 6 10.006 -6.934 4.417 1.00 0.00 N ATOM 0 H GLN U 6 4.694 -4.720 1.868 1.00 0.00 H new ATOM 0 HA GLN U 6 7.069 -6.081 0.694 1.00 0.00 H new ATOM 0 HB2 GLN U 6 7.650 -4.939 2.857 1.00 0.00 H new ATOM 0 HB3 GLN U 6 6.371 -5.837 3.650 1.00 0.00 H new ATOM 0 HG2 GLN U 6 7.464 -7.994 2.892 1.00 0.00 H new ATOM 0 HG3 GLN U 6 8.773 -7.058 2.198 1.00 0.00 H new ATOM 0 HE21 GLN U 6 10.560 -6.925 3.560 1.00 0.00 H new ATOM 0 HE22 GLN U 6 10.470 -6.888 5.324 1.00 0.00 H new ATOM 1250 N ILE U 7 5.554 -8.010 0.432 1.00 0.00 N ATOM 1251 CA ILE U 7 4.728 -9.208 0.283 1.00 0.00 C ATOM 1252 C ILE U 7 5.606 -10.419 -0.015 1.00 0.00 C ATOM 1253 O ILE U 7 6.813 -10.291 0.100 1.00 0.00 O ATOM 1254 CB ILE U 7 3.718 -9.002 -0.866 1.00 0.00 C ATOM 1255 CG1 ILE U 7 4.410 -8.284 -2.051 1.00 0.00 C ATOM 1256 CG2 ILE U 7 2.537 -8.162 -0.368 1.00 0.00 C ATOM 1257 CD1 ILE U 7 4.257 -6.754 -1.955 1.00 0.00 C ATOM 1258 OXT ILE U 7 5.057 -11.456 -0.347 1.00 0.00 O ATOM 0 H ILE U 7 6.220 -7.860 -0.326 1.00 0.00 H new ATOM 0 HA ILE U 7 4.188 -9.384 1.213 1.00 0.00 H new ATOM 0 HB ILE U 7 3.353 -9.972 -1.202 1.00 0.00 H new ATOM 0 HG12 ILE U 7 5.468 -8.544 -2.067 1.00 0.00 H new ATOM 0 HG13 ILE U 7 3.982 -8.635 -2.990 1.00 0.00 H new ATOM 0 HG21 ILE U 7 1.825 -8.018 -1.181 1.00 0.00 H new ATOM 0 HG22 ILE U 7 2.046 -8.678 0.457 1.00 0.00 H new ATOM 0 HG23 ILE U 7 2.899 -7.192 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE U 7 4.755 -6.285 -2.803 1.00 0.00 H new ATOM 0 HD12 ILE U 7 3.199 -6.493 -1.966 1.00 0.00 H new ATOM 0 HD13 ILE U 7 4.709 -6.401 -1.028 1.00 0.00 H new ATOM 1271 N ILE W 1 7.264 11.881 -3.091 1.00 0.00 N ATOM 1272 CA ILE W 1 6.564 10.608 -2.757 1.00 0.00 C ATOM 1273 C ILE W 1 7.518 9.442 -2.908 1.00 0.00 C ATOM 1274 O ILE W 1 8.242 9.349 -3.900 1.00 0.00 O ATOM 1275 CB ILE W 1 5.382 10.416 -3.707 1.00 0.00 C ATOM 1276 CG1 ILE W 1 4.350 11.499 -3.418 1.00 0.00 C ATOM 1277 CG2 ILE W 1 4.769 9.032 -3.512 1.00 0.00 C ATOM 1278 CD1 ILE W 1 3.284 11.479 -4.500 1.00 0.00 C ATOM 0 H1 ILE W 1 7.118 12.569 -2.325 1.00 0.00 H new ATOM 0 H2 ILE W 1 8.282 11.698 -3.203 1.00 0.00 H new ATOM 0 H3 ILE W 1 6.881 12.265 -3.978 1.00 0.00 H new ATOM 0 HA ILE W 1 6.209 10.653 -1.728 1.00 0.00 H new ATOM 0 HB ILE W 1 5.719 10.494 -4.741 1.00 0.00 H new ATOM 0 HG12 ILE W 1 3.896 11.333 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE W 1 4.831 12.476 -3.384 1.00 0.00 H new ATOM 0 HG21 ILE W 1 3.928 8.907 -4.194 1.00 0.00 H new ATOM 0 HG22 ILE W 1 5.520 8.269 -3.718 1.00 0.00 H new ATOM 0 HG23 ILE W 1 4.421 8.930 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE W 1 2.544 12.253 -4.296 1.00 0.00 H new ATOM 0 HD12 ILE W 1 3.746 11.665 -5.469 1.00 0.00 H new ATOM 0 HD13 ILE W 1 2.796 10.504 -4.512 1.00 0.00 H new ATOM 1292 N HIS W 2 7.497 8.537 -1.933 1.00 0.00 N ATOM 1293 CA HIS W 2 8.342 7.371 -1.995 1.00 0.00 C ATOM 1294 C HIS W 2 7.471 6.130 -2.147 1.00 0.00 C ATOM 1295 O HIS W 2 6.632 5.847 -1.294 1.00 0.00 O ATOM 1296 CB HIS W 2 9.126 7.295 -0.669 1.00 0.00 C ATOM 1297 CG HIS W 2 9.850 5.985 -0.558 1.00 0.00 C ATOM 1298 ND1 HIS W 2 10.163 5.381 0.670 1.00 0.00 N ATOM 1299 CD2 HIS W 2 10.356 5.164 -1.517 1.00 0.00 C ATOM 1300 CE1 HIS W 2 10.831 4.252 0.399 1.00 0.00 C ATOM 1301 NE2 HIS W 2 10.979 4.070 -0.915 1.00 0.00 N ATOM 0 H HIS W 2 6.907 8.596 -1.103 1.00 0.00 H new ATOM 0 HA HIS W 2 9.027 7.429 -2.841 1.00 0.00 H new ATOM 0 HB2 HIS W 2 9.840 8.117 -0.615 1.00 0.00 H new ATOM 0 HB3 HIS W 2 8.442 7.411 0.172 1.00 0.00 H new ATOM 0 HD2 HIS W 2 10.286 5.333 -2.581 1.00 0.00 H new ATOM 0 HE1 HIS W 2 11.204 3.573 1.151 1.00 0.00 H new ATOM 0 HE2 HIS W 2 11.449 3.294 -1.381 1.00 0.00 H new ATOM 1308 N VAL W 3 7.712 5.364 -3.211 1.00 0.00 N ATOM 1309 CA VAL W 3 6.979 4.118 -3.438 1.00 0.00 C ATOM 1310 C VAL W 3 7.950 2.967 -3.418 1.00 0.00 C ATOM 1311 O VAL W 3 8.868 2.930 -4.237 1.00 0.00 O ATOM 1312 CB VAL W 3 6.295 4.164 -4.808 1.00 0.00 C ATOM 1313 CG1 VAL W 3 5.545 2.851 -5.057 1.00 0.00 C ATOM 1314 CG2 VAL W 3 5.316 5.351 -4.860 1.00 0.00 C ATOM 0 H VAL W 3 8.406 5.583 -3.926 1.00 0.00 H new ATOM 0 HA VAL W 3 6.228 3.992 -2.658 1.00 0.00 H new ATOM 0 HB VAL W 3 7.050 4.293 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL W 3 5.060 2.888 -6.032 1.00 0.00 H new ATOM 0 HG12 VAL W 3 6.249 2.020 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL W 3 4.791 2.710 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL W 3 4.831 5.380 -5.836 1.00 0.00 H new ATOM 0 HG22 VAL W 3 4.560 5.234 -4.083 1.00 0.00 H new ATOM 0 HG23 VAL W 3 5.862 6.280 -4.698 1.00 0.00 H new ATOM 1324 N HIS W 4 7.751 2.004 -2.507 1.00 0.00 N ATOM 1325 CA HIS W 4 8.621 0.848 -2.433 1.00 0.00 C ATOM 1326 C HIS W 4 7.863 -0.457 -2.680 1.00 0.00 C ATOM 1327 O HIS W 4 6.834 -0.713 -2.054 1.00 0.00 O ATOM 1328 CB HIS W 4 9.316 0.844 -1.058 1.00 0.00 C ATOM 1329 CG HIS W 4 10.558 0.000 -1.121 1.00 0.00 C ATOM 1330 ND1 HIS W 4 11.862 0.494 -0.922 1.00 0.00 N ATOM 1331 CD2 HIS W 4 10.692 -1.323 -1.364 1.00 0.00 C ATOM 1332 CE1 HIS W 4 12.699 -0.545 -1.056 1.00 0.00 C ATOM 1333 NE2 HIS W 4 12.039 -1.679 -1.321 1.00 0.00 N ATOM 0 H HIS W 4 6.997 2.013 -1.820 1.00 0.00 H new ATOM 0 HA HIS W 4 9.370 0.915 -3.222 1.00 0.00 H new ATOM 0 HB2 HIS W 4 9.571 1.863 -0.766 1.00 0.00 H new ATOM 0 HB3 HIS W 4 8.638 0.455 -0.298 1.00 0.00 H new ATOM 0 HD2 HIS W 4 9.877 -2.003 -1.562 1.00 0.00 H new ATOM 0 HE1 HIS W 4 13.773 -0.475 -0.962 1.00 0.00 H new ATOM 0 HE2 HIS W 4 12.437 -2.607 -1.462 1.00 0.00 H new ATOM 1341 N LEU W 5 8.404 -1.293 -3.574 1.00 0.00 N ATOM 1342 CA LEU W 5 7.798 -2.591 -3.896 1.00 0.00 C ATOM 1343 C LEU W 5 8.814 -3.698 -3.653 1.00 0.00 C ATOM 1344 O LEU W 5 9.858 -3.747 -4.304 1.00 0.00 O ATOM 1345 CB LEU W 5 7.346 -2.572 -5.369 1.00 0.00 C ATOM 1346 CG LEU W 5 6.858 -3.959 -5.849 1.00 0.00 C ATOM 1347 CD1 LEU W 5 8.049 -4.886 -6.170 1.00 0.00 C ATOM 1348 CD2 LEU W 5 5.954 -4.600 -4.785 1.00 0.00 C ATOM 0 H LEU W 5 9.262 -1.093 -4.088 1.00 0.00 H new ATOM 0 HA LEU W 5 6.932 -2.777 -3.261 1.00 0.00 H new ATOM 0 HB2 LEU W 5 6.544 -1.844 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU W 5 8.174 -2.243 -5.997 1.00 0.00 H new ATOM 0 HG LEU W 5 6.283 -3.819 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU W 5 7.677 -5.854 -6.505 1.00 0.00 H new ATOM 0 HD12 LEU W 5 8.656 -4.439 -6.957 1.00 0.00 H new ATOM 0 HD13 LEU W 5 8.657 -5.021 -5.275 1.00 0.00 H new ATOM 0 HD21 LEU W 5 5.617 -5.576 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU W 5 6.513 -4.720 -3.857 1.00 0.00 H new ATOM 0 HD23 LEU W 5 5.090 -3.960 -4.608 1.00 0.00 H new ATOM 1360 N GLN W 6 8.487 -4.611 -2.735 1.00 0.00 N ATOM 1361 CA GLN W 6 9.357 -5.746 -2.444 1.00 0.00 C ATOM 1362 C GLN W 6 8.525 -7.026 -2.438 1.00 0.00 C ATOM 1363 O GLN W 6 7.595 -7.173 -1.641 1.00 0.00 O ATOM 1364 CB GLN W 6 10.054 -5.540 -1.093 1.00 0.00 C ATOM 1365 CG GLN W 6 11.021 -6.697 -0.826 1.00 0.00 C ATOM 1366 CD GLN W 6 11.663 -6.551 0.552 1.00 0.00 C ATOM 1367 OE1 GLN W 6 10.971 -6.568 1.573 1.00 0.00 O ATOM 1368 NE2 GLN W 6 12.957 -6.401 0.643 1.00 0.00 N ATOM 0 H GLN W 6 7.629 -4.584 -2.184 1.00 0.00 H new ATOM 0 HA GLN W 6 10.126 -5.828 -3.212 1.00 0.00 H new ATOM 0 HB2 GLN W 6 10.596 -4.594 -1.093 1.00 0.00 H new ATOM 0 HB3 GLN W 6 9.313 -5.482 -0.296 1.00 0.00 H new ATOM 0 HG2 GLN W 6 10.488 -7.646 -0.886 1.00 0.00 H new ATOM 0 HG3 GLN W 6 11.794 -6.717 -1.594 1.00 0.00 H new ATOM 0 HE21 GLN W 6 13.529 -6.387 -0.201 1.00 0.00 H new ATOM 0 HE22 GLN W 6 13.395 -6.298 1.558 1.00 0.00 H new ATOM 1377 N ILE W 7 8.866 -7.954 -3.338 1.00 0.00 N ATOM 1378 CA ILE W 7 8.145 -9.227 -3.437 1.00 0.00 C ATOM 1379 C ILE W 7 9.139 -10.383 -3.451 1.00 0.00 C ATOM 1380 O ILE W 7 9.921 -10.471 -2.519 1.00 0.00 O ATOM 1381 CB ILE W 7 7.283 -9.273 -4.716 1.00 0.00 C ATOM 1382 CG1 ILE W 7 6.557 -7.939 -4.927 1.00 0.00 C ATOM 1383 CG2 ILE W 7 6.234 -10.363 -4.587 1.00 0.00 C ATOM 1384 CD1 ILE W 7 5.687 -7.966 -6.198 1.00 0.00 C ATOM 1385 OXT ILE W 7 9.106 -11.161 -4.390 1.00 0.00 O ATOM 0 H ILE W 7 9.631 -7.849 -4.004 1.00 0.00 H new ATOM 0 HA ILE W 7 7.488 -9.317 -2.572 1.00 0.00 H new ATOM 0 HB ILE W 7 7.942 -9.471 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE W 7 5.931 -7.723 -4.061 1.00 0.00 H new ATOM 0 HG13 ILE W 7 7.288 -7.134 -5.002 1.00 0.00 H new ATOM 0 HG21 ILE W 7 5.627 -10.393 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE W 7 6.725 -11.326 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE W 7 5.596 -10.154 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE W 7 5.187 -7.005 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE W 7 6.317 -8.157 -7.066 1.00 0.00 H new ATOM 0 HD13 ILE W 7 4.940 -8.755 -6.111 1.00 0.00 H new ATOM 1398 N ILE Y 1 9.524 11.965 -7.082 1.00 0.00 N ATOM 1399 CA ILE Y 1 8.869 10.640 -6.895 1.00 0.00 C ATOM 1400 C ILE Y 1 9.926 9.551 -7.004 1.00 0.00 C ATOM 1401 O ILE Y 1 10.543 9.386 -8.057 1.00 0.00 O ATOM 1402 CB ILE Y 1 7.789 10.436 -7.978 1.00 0.00 C ATOM 1403 CG1 ILE Y 1 6.681 11.480 -7.785 1.00 0.00 C ATOM 1404 CG2 ILE Y 1 7.187 9.034 -7.866 1.00 0.00 C ATOM 1405 CD1 ILE Y 1 5.746 11.467 -8.991 1.00 0.00 C ATOM 0 H1 ILE Y 1 8.968 12.699 -6.598 1.00 0.00 H new ATOM 0 H2 ILE Y 1 10.484 11.937 -6.682 1.00 0.00 H new ATOM 0 H3 ILE Y 1 9.578 12.185 -8.097 1.00 0.00 H new ATOM 0 HA ILE Y 1 8.395 10.595 -5.914 1.00 0.00 H new ATOM 0 HB ILE Y 1 8.243 10.550 -8.962 1.00 0.00 H new ATOM 0 HG12 ILE Y 1 6.120 11.265 -6.875 1.00 0.00 H new ATOM 0 HG13 ILE Y 1 7.119 12.471 -7.663 1.00 0.00 H new ATOM 0 HG21 ILE Y 1 6.426 8.902 -8.635 1.00 0.00 H new ATOM 0 HG22 ILE Y 1 7.972 8.289 -8.000 1.00 0.00 H new ATOM 0 HG23 ILE Y 1 6.734 8.910 -6.883 1.00 0.00 H new ATOM 0 HD11 ILE Y 1 4.961 12.210 -8.850 1.00 0.00 H new ATOM 0 HD12 ILE Y 1 6.312 11.703 -9.892 1.00 0.00 H new ATOM 0 HD13 ILE Y 1 5.297 10.479 -9.093 1.00 0.00 H new ATOM 1419 N HIS Y 2 10.124 8.789 -5.926 1.00 0.00 N ATOM 1420 CA HIS Y 2 11.100 7.697 -5.954 1.00 0.00 C ATOM 1421 C HIS Y 2 10.354 6.371 -5.976 1.00 0.00 C ATOM 1422 O HIS Y 2 9.568 6.082 -5.079 1.00 0.00 O ATOM 1423 CB HIS Y 2 11.981 7.744 -4.684 1.00 0.00 C ATOM 1424 CG HIS Y 2 13.169 8.650 -4.882 1.00 0.00 C ATOM 1425 ND1 HIS Y 2 14.475 8.172 -4.866 1.00 0.00 N ATOM 1426 CD2 HIS Y 2 13.269 10.007 -5.075 1.00 0.00 C ATOM 1427 CE1 HIS Y 2 15.292 9.229 -5.042 1.00 0.00 C ATOM 1428 NE2 HIS Y 2 14.608 10.369 -5.174 1.00 0.00 N ATOM 0 H HIS Y 2 9.633 8.904 -5.039 1.00 0.00 H new ATOM 0 HA HIS Y 2 11.729 7.799 -6.839 1.00 0.00 H new ATOM 0 HB2 HIS Y 2 11.388 8.095 -3.839 1.00 0.00 H new ATOM 0 HB3 HIS Y 2 12.323 6.739 -4.437 1.00 0.00 H new ATOM 0 HD2 HIS Y 2 12.434 10.689 -5.140 1.00 0.00 H new ATOM 0 HE1 HIS Y 2 16.370 9.163 -5.073 1.00 0.00 H new ATOM 0 HE2 HIS Y 2 14.987 11.305 -5.317 1.00 0.00 H new ATOM 1436 N VAL Y 3 10.637 5.551 -6.982 1.00 0.00 N ATOM 1437 CA VAL Y 3 10.024 4.228 -7.083 1.00 0.00 C ATOM 1438 C VAL Y 3 11.104 3.157 -6.962 1.00 0.00 C ATOM 1439 O VAL Y 3 12.075 3.176 -7.719 1.00 0.00 O ATOM 1440 CB VAL Y 3 9.293 4.103 -8.420 1.00 0.00 C ATOM 1441 CG1 VAL Y 3 8.757 2.678 -8.576 1.00 0.00 C ATOM 1442 CG2 VAL Y 3 8.133 5.093 -8.472 1.00 0.00 C ATOM 0 H VAL Y 3 11.284 5.776 -7.737 1.00 0.00 H new ATOM 0 HA VAL Y 3 9.303 4.093 -6.277 1.00 0.00 H new ATOM 0 HB VAL Y 3 9.987 4.323 -9.231 1.00 0.00 H new ATOM 0 HG11 VAL Y 3 8.236 2.588 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL Y 3 9.587 1.972 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL Y 3 8.066 2.458 -7.762 1.00 0.00 H new ATOM 0 HG21 VAL Y 3 7.617 4.999 -9.427 1.00 0.00 H new ATOM 0 HG22 VAL Y 3 7.437 4.881 -7.661 1.00 0.00 H new ATOM 0 HG23 VAL Y 3 8.516 6.108 -8.365 1.00 0.00 H new ATOM 1452 N HIS Y 4 10.933 2.214 -6.036 1.00 0.00 N ATOM 1453 CA HIS Y 4 11.913 1.129 -5.866 1.00 0.00 C ATOM 1454 C HIS Y 4 11.227 -0.200 -6.170 1.00 0.00 C ATOM 1455 O HIS Y 4 10.148 -0.475 -5.646 1.00 0.00 O ATOM 1456 CB HIS Y 4 12.473 1.141 -4.418 1.00 0.00 C ATOM 1457 CG HIS Y 4 13.120 2.487 -4.077 1.00 0.00 C ATOM 1458 ND1 HIS Y 4 12.965 3.101 -2.825 1.00 0.00 N ATOM 1459 CD2 HIS Y 4 13.925 3.344 -4.805 1.00 0.00 C ATOM 1460 CE1 HIS Y 4 13.651 4.261 -2.852 1.00 0.00 C ATOM 1461 NE2 HIS Y 4 14.252 4.459 -4.031 1.00 0.00 N ATOM 0 H HIS Y 4 10.138 2.174 -5.398 1.00 0.00 H new ATOM 0 HA HIS Y 4 12.749 1.269 -6.551 1.00 0.00 H new ATOM 0 HB2 HIS Y 4 11.667 0.935 -3.714 1.00 0.00 H new ATOM 0 HB3 HIS Y 4 13.208 0.344 -4.304 1.00 0.00 H new ATOM 0 HD2 HIS Y 4 14.252 3.176 -5.821 1.00 0.00 H new ATOM 0 HE1 HIS Y 4 13.709 4.949 -2.021 1.00 0.00 H new ATOM 0 HE2 HIS Y 4 14.827 5.255 -4.306 1.00 0.00 H new ATOM 1468 N LEU Y 5 11.838 -1.012 -7.032 1.00 0.00 N ATOM 1469 CA LEU Y 5 11.245 -2.298 -7.426 1.00 0.00 C ATOM 1470 C LEU Y 5 12.213 -3.438 -7.133 1.00 0.00 C ATOM 1471 O LEU Y 5 13.326 -3.461 -7.661 1.00 0.00 O ATOM 1472 CB LEU Y 5 10.972 -2.254 -8.932 1.00 0.00 C ATOM 1473 CG LEU Y 5 10.220 -0.963 -9.294 1.00 0.00 C ATOM 1474 CD1 LEU Y 5 10.070 -0.869 -10.813 1.00 0.00 C ATOM 1475 CD2 LEU Y 5 8.828 -0.962 -8.650 1.00 0.00 C ATOM 0 H LEU Y 5 12.736 -0.808 -7.470 1.00 0.00 H new ATOM 0 HA LEU Y 5 10.325 -2.464 -6.866 1.00 0.00 H new ATOM 0 HB2 LEU Y 5 11.912 -2.303 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU Y 5 10.384 -3.122 -9.229 1.00 0.00 H new ATOM 0 HG LEU Y 5 10.787 -0.109 -8.923 1.00 0.00 H new ATOM 0 HD11 LEU Y 5 9.537 0.046 -11.070 1.00 0.00 H new ATOM 0 HD12 LEU Y 5 11.057 -0.856 -11.276 1.00 0.00 H new ATOM 0 HD13 LEU Y 5 9.509 -1.730 -11.177 1.00 0.00 H new ATOM 0 HD21 LEU Y 5 8.306 -0.042 -8.914 1.00 0.00 H new ATOM 0 HD22 LEU Y 5 8.259 -1.819 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU Y 5 8.928 -1.024 -7.566 1.00 0.00 H new ATOM 1487 N GLN Y 6 11.790 -4.397 -6.315 1.00 0.00 N ATOM 1488 CA GLN Y 6 12.639 -5.544 -5.997 1.00 0.00 C ATOM 1489 C GLN Y 6 11.810 -6.813 -6.074 1.00 0.00 C ATOM 1490 O GLN Y 6 10.936 -7.052 -5.240 1.00 0.00 O ATOM 1491 CB GLN Y 6 13.243 -5.379 -4.594 1.00 0.00 C ATOM 1492 CG GLN Y 6 14.279 -6.479 -4.339 1.00 0.00 C ATOM 1493 CD GLN Y 6 14.809 -6.375 -2.911 1.00 0.00 C ATOM 1494 OE1 GLN Y 6 14.031 -6.271 -1.965 1.00 0.00 O ATOM 1495 NE2 GLN Y 6 16.096 -6.384 -2.697 1.00 0.00 N ATOM 0 H GLN Y 6 10.875 -4.405 -5.864 1.00 0.00 H new ATOM 0 HA GLN Y 6 13.456 -5.606 -6.715 1.00 0.00 H new ATOM 0 HB2 GLN Y 6 13.711 -4.399 -4.503 1.00 0.00 H new ATOM 0 HB3 GLN Y 6 12.456 -5.427 -3.842 1.00 0.00 H new ATOM 0 HG2 GLN Y 6 13.828 -7.459 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN Y 6 15.101 -6.387 -5.049 1.00 0.00 H new ATOM 0 HE21 GLN Y 6 16.743 -6.470 -3.481 1.00 0.00 H new ATOM 0 HE22 GLN Y 6 16.455 -6.305 -1.746 1.00 0.00 H new ATOM 1504 N ILE Y 7 12.075 -7.619 -7.101 1.00 0.00 N ATOM 1505 CA ILE Y 7 11.334 -8.860 -7.310 1.00 0.00 C ATOM 1506 C ILE Y 7 12.298 -10.023 -7.526 1.00 0.00 C ATOM 1507 O ILE Y 7 13.482 -9.832 -7.303 1.00 0.00 O ATOM 1508 CB ILE Y 7 10.418 -8.711 -8.540 1.00 0.00 C ATOM 1509 CG1 ILE Y 7 11.181 -8.013 -9.703 1.00 0.00 C ATOM 1510 CG2 ILE Y 7 9.178 -7.890 -8.154 1.00 0.00 C ATOM 1511 CD1 ILE Y 7 10.988 -6.485 -9.667 1.00 0.00 C ATOM 1512 OXT ILE Y 7 11.837 -11.086 -7.905 1.00 0.00 O ATOM 0 H ILE Y 7 12.795 -7.435 -7.799 1.00 0.00 H new ATOM 0 HA ILE Y 7 10.730 -9.064 -6.426 1.00 0.00 H new ATOM 0 HB ILE Y 7 10.108 -9.700 -8.877 1.00 0.00 H new ATOM 0 HG12 ILE Y 7 12.243 -8.248 -9.636 1.00 0.00 H new ATOM 0 HG13 ILE Y 7 10.828 -8.403 -10.657 1.00 0.00 H new ATOM 0 HG21 ILE Y 7 8.528 -7.783 -9.022 1.00 0.00 H new ATOM 0 HG22 ILE Y 7 8.638 -8.400 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE Y 7 9.488 -6.904 -7.809 1.00 0.00 H new ATOM 0 HD11 ILE Y 7 11.534 -6.030 -10.493 1.00 0.00 H new ATOM 0 HD12 ILE Y 7 9.928 -6.250 -9.760 1.00 0.00 H new ATOM 0 HD13 ILE Y 7 11.365 -6.093 -8.723 1.00 0.00 H new