USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 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: A 1 MET CE :methyl 147:sc= -0.77 (180deg=-2.58!) USER MOD Set 1.2: B 1 MET CE :methyl -153:sc= -1.54! (180deg=-1.32!) USER MOD Single : A 1 MET N :NH3+ -166:sc= -0.396 (180deg=-0.928) USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= -0.13 (180deg=-0.815) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= -0.25 (180deg=-1.31!) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl -175:sc= 0 (180deg=-0.0383) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 16 TYR OH : rot 0:sc= -3.71! USER MOD Single : A 17 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.019) USER MOD Single : A 20 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.7!) USER MOD Single : A 26 LYS NZ :NH3+ -127:sc= -9.47! (180deg=-15.1!) USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= -0.597 (180deg=-2.01!) USER MOD Single : B 1 MET N :NH3+ -167:sc= 0 (180deg=-0.2) USER MOD Single : B 5 LYS NZ :NH3+ 169:sc= 0.00259 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -152:sc= -0.494 (180deg=-1.91!) USER MOD Single : B 8 MET CE :methyl -145:sc= -0.131 (180deg=-1.22) USER MOD Single : B 9 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.049) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 140:sc= -2.97! (180deg=-5.79!) USER MOD Single : B 15 ASN : amide:sc= -0.0455 X(o=-0.046,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= -3.33! USER MOD Single : B 17 HIS : no HD1:sc= -0.254 X(o=-0.25,f=0) USER MOD Single : B 20 ASN : amide:sc= 0.281 X(o=0.28,f=-0.088) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.967 -11.370 17.035 1.00 0.00 N ATOM 2 CA MET A 1 8.721 -11.391 15.794 1.00 0.00 C ATOM 3 C MET A 1 8.047 -12.348 14.808 1.00 0.00 C ATOM 4 O MET A 1 8.048 -12.052 13.605 1.00 0.00 O ATOM 5 CB MET A 1 10.158 -11.851 16.050 1.00 0.00 C ATOM 6 CG MET A 1 11.154 -11.011 15.248 1.00 0.00 C ATOM 7 SD MET A 1 12.629 -11.998 14.861 1.00 0.00 S ATOM 8 CE MET A 1 13.829 -11.228 15.987 1.00 0.00 C ATOM 0 H1 MET A 1 8.272 -10.561 17.613 1.00 0.00 H new ATOM 0 H2 MET A 1 6.953 -11.282 16.823 1.00 0.00 H new ATOM 0 H3 MET A 1 8.136 -12.252 17.559 1.00 0.00 H new ATOM 0 HA MET A 1 8.744 -10.384 15.377 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.385 -11.773 17.113 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.261 -12.902 15.778 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.688 -10.661 14.327 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.438 -10.126 15.818 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.539 -11.980 16.331 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.364 -10.436 15.462 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.305 -10.805 16.844 1.00 0.00 H new ATOM 18 N ASP A 2 7.493 -13.457 15.330 1.00 0.00 N ATOM 19 CA ASP A 2 6.823 -14.445 14.502 1.00 0.00 C ATOM 20 C ASP A 2 5.767 -13.751 13.640 1.00 0.00 C ATOM 21 O ASP A 2 5.879 -13.812 12.407 1.00 0.00 O ATOM 22 CB ASP A 2 6.117 -15.496 15.361 1.00 0.00 C ATOM 23 CG ASP A 2 7.037 -16.320 16.262 1.00 0.00 C ATOM 24 OD1 ASP A 2 7.749 -15.775 17.119 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.006 -17.593 16.054 1.00 0.00 O ATOM 0 H ASP A 2 7.502 -13.681 16.325 1.00 0.00 H new ATOM 0 HA ASP A 2 7.576 -14.932 13.883 1.00 0.00 H new ATOM 0 HB2 ASP A 2 5.376 -14.995 15.985 1.00 0.00 H new ATOM 0 HB3 ASP A 2 5.574 -16.175 14.704 1.00 0.00 H new ATOM 30 N ALA A 3 4.780 -13.114 14.294 1.00 0.00 N ATOM 31 CA ALA A 3 3.716 -12.416 13.593 1.00 0.00 C ATOM 32 C ALA A 3 4.295 -11.185 12.894 1.00 0.00 C ATOM 33 O ALA A 3 3.615 -10.628 12.019 1.00 0.00 O ATOM 34 CB ALA A 3 2.689 -11.894 14.601 1.00 0.00 C ATOM 0 H ALA A 3 4.707 -13.075 15.311 1.00 0.00 H new ATOM 0 HA ALA A 3 3.260 -13.106 12.884 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.893 -11.371 14.071 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.266 -12.731 15.157 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.176 -11.207 15.294 1.00 0.00 H new ATOM 40 N ILE A 4 5.519 -10.789 13.286 1.00 0.00 N ATOM 41 CA ILE A 4 6.180 -9.635 12.701 1.00 0.00 C ATOM 42 C ILE A 4 6.698 -10.001 11.309 1.00 0.00 C ATOM 43 O ILE A 4 6.471 -9.222 10.371 1.00 0.00 O ATOM 44 CB ILE A 4 7.264 -9.105 13.641 1.00 0.00 C ATOM 45 CG1 ILE A 4 6.675 -8.733 15.004 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.018 -7.936 13.004 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.166 -7.356 15.455 1.00 0.00 C ATOM 0 H ILE A 4 6.063 -11.261 14.009 1.00 0.00 H new ATOM 0 HA ILE A 4 5.473 -8.815 12.573 1.00 0.00 H new ATOM 0 HB ILE A 4 7.988 -9.902 13.810 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.587 -8.734 14.947 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.956 -9.483 15.743 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.783 -7.578 13.693 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.489 -8.268 12.079 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.319 -7.128 12.786 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.733 -7.115 16.426 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.253 -7.365 15.535 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.862 -6.605 14.726 1.00 0.00 H new ATOM 59 N LYS A 5 7.373 -11.159 11.203 1.00 0.00 N ATOM 60 CA LYS A 5 7.917 -11.621 9.937 1.00 0.00 C ATOM 61 C LYS A 5 6.808 -11.629 8.883 1.00 0.00 C ATOM 62 O LYS A 5 7.105 -11.344 7.714 1.00 0.00 O ATOM 63 CB LYS A 5 8.610 -12.974 10.112 1.00 0.00 C ATOM 64 CG LYS A 5 9.770 -12.872 11.106 1.00 0.00 C ATOM 65 CD LYS A 5 9.526 -13.762 12.326 1.00 0.00 C ATOM 66 CE LYS A 5 10.197 -15.125 12.154 1.00 0.00 C ATOM 67 NZ LYS A 5 11.659 -14.974 12.077 1.00 0.00 N ATOM 0 H LYS A 5 7.549 -11.786 11.988 1.00 0.00 H new ATOM 0 HA LYS A 5 8.689 -10.938 9.583 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.890 -13.713 10.463 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.982 -13.324 9.149 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.699 -13.165 10.617 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.890 -11.837 11.425 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.912 -13.273 13.220 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.454 -13.896 12.474 1.00 0.00 H new ATOM 0 HE2 LYS A 5 9.936 -15.773 12.990 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.827 -15.607 11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.116 -15.846 12.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.938 -14.795 11.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.957 -14.175 12.672 1.00 0.00 H new ATOM 81 N LYS A 6 5.574 -11.951 9.310 1.00 0.00 N ATOM 82 CA LYS A 6 4.435 -11.995 8.409 1.00 0.00 C ATOM 83 C LYS A 6 3.792 -10.609 8.338 1.00 0.00 C ATOM 84 O LYS A 6 3.259 -10.261 7.274 1.00 0.00 O ATOM 85 CB LYS A 6 3.465 -13.103 8.826 1.00 0.00 C ATOM 86 CG LYS A 6 4.217 -14.392 9.164 1.00 0.00 C ATOM 87 CD LYS A 6 3.258 -15.466 9.681 1.00 0.00 C ATOM 88 CE LYS A 6 3.120 -16.609 8.674 1.00 0.00 C ATOM 89 NZ LYS A 6 2.305 -17.698 9.238 1.00 0.00 N ATOM 0 H LYS A 6 5.352 -12.183 10.278 1.00 0.00 H new ATOM 0 HA LYS A 6 4.758 -12.249 7.399 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.886 -12.778 9.691 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.756 -13.292 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.735 -14.758 8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.978 -14.187 9.916 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.622 -15.856 10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.280 -15.024 9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.660 -16.240 7.757 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.107 -16.987 8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.221 -18.466 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.759 -18.061 10.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.358 -17.338 9.471 1.00 0.00 H new ATOM 103 N LYS A 7 3.853 -9.858 9.453 1.00 0.00 N ATOM 104 CA LYS A 7 3.281 -8.525 9.515 1.00 0.00 C ATOM 105 C LYS A 7 3.780 -7.704 8.324 1.00 0.00 C ATOM 106 O LYS A 7 2.951 -7.066 7.659 1.00 0.00 O ATOM 107 CB LYS A 7 3.572 -7.880 10.871 1.00 0.00 C ATOM 108 CG LYS A 7 2.970 -6.477 10.952 1.00 0.00 C ATOM 109 CD LYS A 7 1.530 -6.467 10.436 1.00 0.00 C ATOM 110 CE LYS A 7 0.781 -5.224 10.920 1.00 0.00 C ATOM 111 NZ LYS A 7 0.863 -5.111 12.385 1.00 0.00 N ATOM 0 H LYS A 7 4.297 -10.164 10.319 1.00 0.00 H new ATOM 0 HA LYS A 7 2.195 -8.573 9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.164 -8.501 11.668 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.649 -7.827 11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.993 -6.127 11.984 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.574 -5.784 10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.531 -6.494 9.346 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.012 -7.363 10.777 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.205 -4.333 10.456 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.263 -5.278 10.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.026 -4.607 12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.899 -6.062 12.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.721 -4.585 12.645 1.00 0.00 H new ATOM 125 N MET A 8 5.103 -7.735 8.082 1.00 0.00 N ATOM 126 CA MET A 8 5.702 -6.999 6.982 1.00 0.00 C ATOM 127 C MET A 8 5.335 -7.677 5.661 1.00 0.00 C ATOM 128 O MET A 8 5.356 -6.998 4.624 1.00 0.00 O ATOM 129 CB MET A 8 7.224 -6.963 7.133 1.00 0.00 C ATOM 130 CG MET A 8 7.804 -8.378 7.181 1.00 0.00 C ATOM 131 SD MET A 8 9.565 -8.314 7.624 1.00 0.00 S ATOM 132 CE MET A 8 10.311 -8.441 5.971 1.00 0.00 C ATOM 0 H MET A 8 5.769 -8.267 8.642 1.00 0.00 H new ATOM 0 HA MET A 8 5.324 -5.977 6.991 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.663 -6.414 6.300 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.490 -6.426 8.043 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.259 -8.979 7.909 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.682 -8.863 6.213 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.397 -8.417 6.059 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.005 -9.378 5.505 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.978 -7.604 5.356 1.00 0.00 H new ATOM 142 N GLN A 9 5.011 -8.981 5.722 1.00 0.00 N ATOM 143 CA GLN A 9 4.643 -9.740 4.539 1.00 0.00 C ATOM 144 C GLN A 9 3.217 -9.373 4.126 1.00 0.00 C ATOM 145 O GLN A 9 2.912 -9.451 2.926 1.00 0.00 O ATOM 146 CB GLN A 9 4.775 -11.247 4.775 1.00 0.00 C ATOM 147 CG GLN A 9 6.225 -11.703 4.603 1.00 0.00 C ATOM 148 CD GLN A 9 6.288 -13.149 4.108 1.00 0.00 C ATOM 149 OE1 GLN A 9 6.141 -13.437 2.931 1.00 0.00 O ATOM 150 NE2 GLN A 9 6.515 -14.041 5.068 1.00 0.00 N ATOM 0 H GLN A 9 5.000 -9.522 6.587 1.00 0.00 H new ATOM 0 HA GLN A 9 5.329 -9.483 3.731 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.429 -11.493 5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.135 -11.786 4.076 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.734 -11.050 3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.753 -11.616 5.553 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.629 -13.733 6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.575 -15.033 4.839 1.00 0.00 H new ATOM 159 N MET A 10 2.386 -8.985 5.109 1.00 0.00 N ATOM 160 CA MET A 10 1.006 -8.609 4.848 1.00 0.00 C ATOM 161 C MET A 10 0.965 -7.180 4.303 1.00 0.00 C ATOM 162 O MET A 10 0.143 -6.911 3.415 1.00 0.00 O ATOM 163 CB MET A 10 0.180 -8.690 6.133 1.00 0.00 C ATOM 164 CG MET A 10 0.614 -9.879 6.990 1.00 0.00 C ATOM 165 SD MET A 10 -0.847 -10.748 7.634 1.00 0.00 S ATOM 166 CE MET A 10 -0.196 -12.442 7.716 1.00 0.00 C ATOM 0 H MET A 10 2.657 -8.927 6.091 1.00 0.00 H new ATOM 0 HA MET A 10 0.584 -9.297 4.115 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.294 -7.767 6.701 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.877 -8.783 5.885 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.222 -10.562 6.397 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.236 -9.534 7.816 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.994 -13.125 8.009 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.189 -12.732 6.738 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.608 -12.488 8.450 1.00 0.00 H new ATOM 176 N LEU A 11 1.838 -6.307 4.836 1.00 0.00 N ATOM 177 CA LEU A 11 1.902 -4.921 4.406 1.00 0.00 C ATOM 178 C LEU A 11 2.637 -4.839 3.067 1.00 0.00 C ATOM 179 O LEU A 11 2.360 -3.907 2.298 1.00 0.00 O ATOM 180 CB LEU A 11 2.519 -4.048 5.500 1.00 0.00 C ATOM 181 CG LEU A 11 1.880 -4.157 6.886 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.810 -3.596 7.964 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.505 -3.488 6.911 1.00 0.00 C ATOM 0 H LEU A 11 2.506 -6.549 5.567 1.00 0.00 H new ATOM 0 HA LEU A 11 0.899 -4.527 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.575 -4.303 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.468 -3.008 5.179 1.00 0.00 H new ATOM 0 HG LEU A 11 1.728 -5.213 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.332 -3.685 8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.745 -4.156 7.965 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.016 -2.546 7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.074 -3.580 7.908 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.609 -2.433 6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.149 -3.973 6.186 1.00 0.00 H new ATOM 195 N LYS A 12 3.543 -5.801 2.818 1.00 0.00 N ATOM 196 CA LYS A 12 4.308 -5.838 1.584 1.00 0.00 C ATOM 197 C LYS A 12 3.436 -6.409 0.464 1.00 0.00 C ATOM 198 O LYS A 12 3.604 -5.986 -0.689 1.00 0.00 O ATOM 199 CB LYS A 12 5.620 -6.597 1.789 1.00 0.00 C ATOM 200 CG LYS A 12 6.478 -6.563 0.522 1.00 0.00 C ATOM 201 CD LYS A 12 7.960 -6.396 0.867 1.00 0.00 C ATOM 202 CE LYS A 12 8.742 -7.674 0.558 1.00 0.00 C ATOM 203 NZ LYS A 12 8.680 -8.605 1.696 1.00 0.00 N ATOM 0 H LYS A 12 3.755 -6.561 3.465 1.00 0.00 H new ATOM 0 HA LYS A 12 4.593 -4.830 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.173 -6.157 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.407 -7.631 2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.334 -7.484 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.155 -5.742 -0.118 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.378 -5.564 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.065 -6.147 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.333 -8.151 -0.332 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.781 -7.427 0.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.216 -9.467 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.092 -8.153 2.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.689 -8.854 1.887 1.00 0.00 H new ATOM 217 N LEU A 13 2.537 -7.344 0.819 1.00 0.00 N ATOM 218 CA LEU A 13 1.648 -7.966 -0.148 1.00 0.00 C ATOM 219 C LEU A 13 0.536 -6.982 -0.517 1.00 0.00 C ATOM 220 O LEU A 13 0.212 -6.877 -1.709 1.00 0.00 O ATOM 221 CB LEU A 13 1.134 -9.306 0.380 1.00 0.00 C ATOM 222 CG LEU A 13 0.623 -10.291 -0.675 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.397 -11.257 -0.072 1.00 0.00 C ATOM 224 CD2 LEU A 13 0.063 -9.551 -1.891 1.00 0.00 C ATOM 0 H LEU A 13 2.415 -7.679 1.775 1.00 0.00 H new ATOM 0 HA LEU A 13 2.187 -8.199 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.938 -9.786 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.328 -9.110 1.087 1.00 0.00 H new ATOM 0 HG LEU A 13 1.466 -10.888 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.745 -11.946 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.069 -11.821 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.244 -10.694 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.293 -10.274 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.764 -8.913 -1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.846 -8.938 -2.336 1.00 0.00 H new ATOM 236 N ASP A 14 -0.019 -6.293 0.496 1.00 0.00 N ATOM 237 CA ASP A 14 -1.084 -5.329 0.279 1.00 0.00 C ATOM 238 C ASP A 14 -0.551 -4.166 -0.560 1.00 0.00 C ATOM 239 O ASP A 14 -1.328 -3.595 -1.339 1.00 0.00 O ATOM 240 CB ASP A 14 -1.591 -4.761 1.606 1.00 0.00 C ATOM 241 CG ASP A 14 -3.109 -4.599 1.702 1.00 0.00 C ATOM 242 OD1 ASP A 14 -3.751 -5.664 2.049 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.652 -3.511 1.459 1.00 0.00 O ATOM 0 H ASP A 14 0.261 -6.395 1.471 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.901 -5.839 -0.231 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.259 -5.413 2.414 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.126 -3.789 1.769 1.00 0.00 H new ATOM 248 N ASN A 15 0.744 -3.844 -0.388 1.00 0.00 N ATOM 249 CA ASN A 15 1.371 -2.759 -1.124 1.00 0.00 C ATOM 250 C ASN A 15 1.329 -3.074 -2.621 1.00 0.00 C ATOM 251 O ASN A 15 0.897 -2.205 -3.394 1.00 0.00 O ATOM 252 CB ASN A 15 2.837 -2.592 -0.717 1.00 0.00 C ATOM 253 CG ASN A 15 3.298 -1.146 -0.907 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.749 -0.745 -1.967 1.00 0.00 O ATOM 255 ND2 ASN A 15 3.160 -0.388 0.177 1.00 0.00 N ATOM 0 H ASN A 15 1.368 -4.328 0.258 1.00 0.00 H new ATOM 0 HA ASN A 15 0.828 -1.841 -0.900 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.964 -2.884 0.325 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.462 -3.258 -1.313 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.439 0.593 0.152 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.775 -0.787 1.033 1.00 0.00 H new ATOM 262 N TYR A 16 1.772 -4.288 -2.994 1.00 0.00 N ATOM 263 CA TYR A 16 1.762 -4.646 -4.401 1.00 0.00 C ATOM 264 C TYR A 16 0.324 -4.616 -4.922 1.00 0.00 C ATOM 265 O TYR A 16 0.127 -4.183 -6.067 1.00 0.00 O ATOM 266 CB TYR A 16 2.415 -6.026 -4.601 1.00 0.00 C ATOM 267 CG TYR A 16 3.744 -6.207 -3.879 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.664 -5.135 -3.795 1.00 0.00 C ATOM 269 CD2 TYR A 16 4.067 -7.452 -3.293 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.895 -5.308 -3.128 1.00 0.00 C ATOM 271 CE2 TYR A 16 5.298 -7.625 -2.626 1.00 0.00 C ATOM 272 CZ TYR A 16 6.213 -6.553 -2.542 1.00 0.00 C ATOM 273 OH TYR A 16 7.404 -6.725 -1.894 1.00 0.00 O ATOM 0 H TYR A 16 2.126 -5.005 -2.360 1.00 0.00 H new ATOM 0 HA TYR A 16 2.345 -3.924 -4.972 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.722 -6.795 -4.258 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.570 -6.189 -5.667 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.423 -4.182 -4.243 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.369 -8.274 -3.356 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.595 -4.488 -3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.541 -8.578 -2.179 1.00 0.00 H new ATOM 0 HH TYR A 16 7.918 -5.891 -1.927 1.00 0.00 H new ATOM 283 N HIS A 17 -0.633 -5.074 -4.096 1.00 0.00 N ATOM 284 CA HIS A 17 -2.033 -5.104 -4.481 1.00 0.00 C ATOM 285 C HIS A 17 -2.549 -3.672 -4.629 1.00 0.00 C ATOM 286 O HIS A 17 -3.421 -3.444 -5.479 1.00 0.00 O ATOM 287 CB HIS A 17 -2.857 -5.932 -3.492 1.00 0.00 C ATOM 288 CG HIS A 17 -4.110 -5.242 -3.008 1.00 0.00 C ATOM 289 ND1 HIS A 17 -5.308 -5.296 -3.699 1.00 0.00 N ATOM 290 CD2 HIS A 17 -4.340 -4.485 -1.898 1.00 0.00 C ATOM 291 CE1 HIS A 17 -6.211 -4.598 -3.026 1.00 0.00 C ATOM 292 NE2 HIS A 17 -5.608 -4.096 -1.910 1.00 0.00 N ATOM 0 H HIS A 17 -0.450 -5.427 -3.157 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.138 -5.598 -5.447 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.133 -6.875 -3.965 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.234 -6.177 -2.632 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.613 -4.243 -1.137 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.243 -4.452 -3.311 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.058 -3.517 -1.201 1.00 0.00 H new ATOM 300 N LEU A 18 -2.007 -2.750 -3.812 1.00 0.00 N ATOM 301 CA LEU A 18 -2.411 -1.355 -3.853 1.00 0.00 C ATOM 302 C LEU A 18 -1.772 -0.679 -5.067 1.00 0.00 C ATOM 303 O LEU A 18 -2.498 -0.022 -5.827 1.00 0.00 O ATOM 304 CB LEU A 18 -2.088 -0.665 -2.526 1.00 0.00 C ATOM 305 CG LEU A 18 -2.927 -1.100 -1.322 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.188 -0.828 -0.011 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.307 -0.441 -1.350 1.00 0.00 C ATOM 0 H LEU A 18 -1.288 -2.958 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.491 -1.275 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.038 -0.841 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.210 0.410 -2.659 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.083 -2.177 -1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.807 -1.146 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.249 -1.382 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.981 0.239 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.883 -0.767 -0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.193 0.643 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.829 -0.729 -2.262 1.00 0.00 H new ATOM 319 N GLU A 19 -0.447 -0.849 -5.225 1.00 0.00 N ATOM 320 CA GLU A 19 0.280 -0.260 -6.337 1.00 0.00 C ATOM 321 C GLU A 19 -0.196 -0.896 -7.644 1.00 0.00 C ATOM 322 O GLU A 19 -0.062 -0.253 -8.696 1.00 0.00 O ATOM 323 CB GLU A 19 1.791 -0.419 -6.168 1.00 0.00 C ATOM 324 CG GLU A 19 2.465 0.939 -5.957 1.00 0.00 C ATOM 325 CD GLU A 19 2.910 1.543 -7.290 1.00 0.00 C ATOM 326 OE1 GLU A 19 2.390 0.996 -8.337 1.00 0.00 O ATOM 327 OE2 GLU A 19 3.712 2.488 -7.306 1.00 0.00 O ATOM 0 H GLU A 19 0.134 -1.394 -4.588 1.00 0.00 H new ATOM 0 HA GLU A 19 0.075 0.810 -6.362 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.999 -1.068 -5.318 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.210 -0.904 -7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.774 1.619 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.327 0.823 -5.300 1.00 0.00 H new ATOM 334 N ASN A 20 -0.733 -2.127 -7.556 1.00 0.00 N ATOM 335 CA ASN A 20 -1.223 -2.839 -8.724 1.00 0.00 C ATOM 336 C ASN A 20 -2.564 -2.244 -9.154 1.00 0.00 C ATOM 337 O ASN A 20 -2.873 -2.292 -10.354 1.00 0.00 O ATOM 338 CB ASN A 20 -1.441 -4.321 -8.413 1.00 0.00 C ATOM 339 CG ASN A 20 -0.175 -5.133 -8.695 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.662 -4.767 -9.503 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.082 -6.253 -7.984 1.00 0.00 N ATOM 0 H ASN A 20 -0.833 -2.640 -6.680 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.479 -2.741 -9.515 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.727 -4.439 -7.368 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.265 -4.705 -9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.726 -6.864 -8.099 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.819 -6.501 -7.324 1.00 0.00 H new ATOM 348 N GLU A 21 -3.321 -1.701 -8.184 1.00 0.00 N ATOM 349 CA GLU A 21 -4.616 -1.103 -8.462 1.00 0.00 C ATOM 350 C GLU A 21 -4.415 0.337 -8.940 1.00 0.00 C ATOM 351 O GLU A 21 -5.041 0.718 -9.940 1.00 0.00 O ATOM 352 CB GLU A 21 -5.531 -1.150 -7.237 1.00 0.00 C ATOM 353 CG GLU A 21 -6.994 -1.316 -7.652 1.00 0.00 C ATOM 354 CD GLU A 21 -7.362 -2.796 -7.785 1.00 0.00 C ATOM 355 OE1 GLU A 21 -6.492 -3.521 -8.402 1.00 0.00 O ATOM 356 OE2 GLU A 21 -8.432 -3.213 -7.317 1.00 0.00 O ATOM 0 H GLU A 21 -3.047 -1.670 -7.202 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.106 -1.679 -9.247 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.237 -1.977 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.415 -0.234 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.641 -0.842 -6.914 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.166 -0.808 -8.601 1.00 0.00 H new ATOM 363 N VAL A 22 -3.562 1.095 -8.229 1.00 0.00 N ATOM 364 CA VAL A 22 -3.284 2.477 -8.580 1.00 0.00 C ATOM 365 C VAL A 22 -2.666 2.530 -9.978 1.00 0.00 C ATOM 366 O VAL A 22 -2.895 3.521 -10.688 1.00 0.00 O ATOM 367 CB VAL A 22 -2.399 3.120 -7.510 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.983 4.535 -7.920 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.102 3.129 -6.151 1.00 0.00 C ATOM 0 H VAL A 22 -3.058 0.762 -7.407 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.207 3.056 -8.611 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.495 2.518 -7.417 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.355 4.969 -7.142 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.426 4.494 -8.856 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.872 5.151 -8.054 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.452 3.591 -5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.030 3.697 -6.225 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.326 2.105 -5.850 1.00 0.00 H new ATOM 379 N ALA A 23 -1.905 1.481 -10.340 1.00 0.00 N ATOM 380 CA ALA A 23 -1.262 1.409 -11.641 1.00 0.00 C ATOM 381 C ALA A 23 -2.329 1.461 -12.737 1.00 0.00 C ATOM 382 O ALA A 23 -1.985 1.807 -13.877 1.00 0.00 O ATOM 383 CB ALA A 23 -0.557 0.059 -11.793 1.00 0.00 C ATOM 0 H ALA A 23 -1.727 0.676 -9.740 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.558 2.237 -11.724 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.076 0.008 -12.770 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.195 -0.049 -11.012 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.288 -0.745 -11.706 1.00 0.00 H new ATOM 389 N ARG A 24 -3.578 1.123 -12.376 1.00 0.00 N ATOM 390 CA ARG A 24 -4.682 1.132 -13.322 1.00 0.00 C ATOM 391 C ARG A 24 -5.395 2.484 -13.255 1.00 0.00 C ATOM 392 O ARG A 24 -5.768 3.008 -14.315 1.00 0.00 O ATOM 393 CB ARG A 24 -5.688 0.018 -13.025 1.00 0.00 C ATOM 394 CG ARG A 24 -5.003 -1.175 -12.357 1.00 0.00 C ATOM 395 CD ARG A 24 -6.013 -2.281 -12.041 1.00 0.00 C ATOM 396 NE ARG A 24 -7.302 -1.685 -11.628 1.00 0.00 N ATOM 397 CZ ARG A 24 -8.469 -2.362 -11.580 1.00 0.00 C ATOM 398 NH1 ARG A 24 -8.483 -3.657 -11.925 1.00 0.00 N ATOM 399 NH2 ARG A 24 -9.596 -1.750 -11.193 1.00 0.00 N ATOM 0 H ARG A 24 -3.838 0.841 -11.431 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.274 0.964 -14.319 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.477 0.399 -12.376 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.164 -0.303 -13.951 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.224 -1.565 -13.012 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.514 -0.851 -11.438 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.159 -2.913 -12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.628 -2.921 -11.247 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.310 -0.700 -11.363 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.621 -4.116 -12.218 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.356 -4.184 -11.894 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.577 -0.764 -10.931 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.473 -2.270 -11.160 1.00 0.00 H new ATOM 413 N LEU A 25 -5.566 3.015 -12.030 1.00 0.00 N ATOM 414 CA LEU A 25 -6.227 4.293 -11.832 1.00 0.00 C ATOM 415 C LEU A 25 -5.332 5.414 -12.362 1.00 0.00 C ATOM 416 O LEU A 25 -5.857 6.335 -13.005 1.00 0.00 O ATOM 417 CB LEU A 25 -6.627 4.467 -10.365 1.00 0.00 C ATOM 418 CG LEU A 25 -7.771 3.578 -9.872 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.298 2.137 -9.670 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.406 4.156 -8.605 1.00 0.00 C ATOM 0 H LEU A 25 -5.251 2.568 -11.169 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.157 4.333 -12.400 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.751 4.275 -9.745 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.908 5.508 -10.207 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.544 3.558 -10.640 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.130 1.527 -9.319 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.929 1.739 -10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.497 2.117 -8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.216 3.506 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.653 4.225 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.801 5.149 -8.817 1.00 0.00 H new ATOM 432 N LYS A 26 -4.018 5.317 -12.086 1.00 0.00 N ATOM 433 CA LYS A 26 -3.062 6.315 -12.531 1.00 0.00 C ATOM 434 C LYS A 26 -3.072 6.379 -14.060 1.00 0.00 C ATOM 435 O LYS A 26 -2.675 7.417 -14.610 1.00 0.00 O ATOM 436 CB LYS A 26 -1.680 6.037 -11.937 1.00 0.00 C ATOM 437 CG LYS A 26 -1.127 7.277 -11.231 1.00 0.00 C ATOM 438 CD LYS A 26 -1.684 7.393 -9.810 1.00 0.00 C ATOM 439 CE LYS A 26 -3.104 7.960 -9.822 1.00 0.00 C ATOM 440 NZ LYS A 26 -4.093 6.874 -9.913 1.00 0.00 N ATOM 0 H LYS A 26 -3.606 4.550 -11.554 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.347 7.303 -12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.744 5.210 -11.230 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.996 5.729 -12.727 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.039 7.225 -11.196 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.385 8.170 -11.801 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.684 6.412 -9.335 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.037 8.036 -9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.277 8.542 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.223 8.640 -10.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.739 7.058 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.603 5.970 -10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.637 6.825 -9.028 1.00 0.00 H new ATOM 454 N LYS A 27 -3.518 5.286 -14.706 1.00 0.00 N ATOM 455 CA LYS A 27 -3.578 5.219 -16.155 1.00 0.00 C ATOM 456 C LYS A 27 -4.859 5.901 -16.642 1.00 0.00 C ATOM 457 O LYS A 27 -4.949 6.197 -17.842 1.00 0.00 O ATOM 458 CB LYS A 27 -3.434 3.771 -16.631 1.00 0.00 C ATOM 459 CG LYS A 27 -2.512 3.684 -17.848 1.00 0.00 C ATOM 460 CD LYS A 27 -2.823 2.439 -18.683 1.00 0.00 C ATOM 461 CE LYS A 27 -3.187 1.254 -17.786 1.00 0.00 C ATOM 462 NZ LYS A 27 -4.647 1.075 -17.734 1.00 0.00 N ATOM 0 H LYS A 27 -3.840 4.441 -14.234 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.741 5.761 -16.595 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.035 3.157 -15.824 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.415 3.368 -16.884 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.629 4.577 -18.462 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.473 3.656 -17.520 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.647 2.650 -19.365 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.959 2.183 -19.297 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.717 0.346 -18.164 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.799 1.419 -16.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.952 1.000 -16.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.113 1.891 -18.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.909 0.207 -18.243 1.00 0.00 H new ATOM 476 N LEU A 28 -5.806 6.132 -15.716 1.00 0.00 N ATOM 477 CA LEU A 28 -7.067 6.773 -16.048 1.00 0.00 C ATOM 478 C LEU A 28 -7.083 8.189 -15.468 1.00 0.00 C ATOM 479 O LEU A 28 -7.689 9.074 -16.089 1.00 0.00 O ATOM 480 CB LEU A 28 -8.244 5.908 -15.593 1.00 0.00 C ATOM 481 CG LEU A 28 -9.344 5.673 -16.630 1.00 0.00 C ATOM 482 CD1 LEU A 28 -9.003 4.486 -17.532 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.707 5.506 -15.955 1.00 0.00 C ATOM 0 H LEU A 28 -5.711 5.879 -14.732 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.172 6.870 -17.129 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.857 4.939 -15.278 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.693 6.373 -14.715 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.406 6.555 -17.268 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.801 4.341 -18.260 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.067 4.683 -18.055 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.897 3.587 -16.925 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.471 5.340 -16.714 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.676 4.652 -15.279 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.946 6.407 -15.390 1.00 0.00 H new ATOM 495 N VAL A 29 -6.429 8.371 -14.307 1.00 0.00 N ATOM 496 CA VAL A 29 -6.369 9.667 -13.652 1.00 0.00 C ATOM 497 C VAL A 29 -4.998 10.298 -13.904 1.00 0.00 C ATOM 498 O VAL A 29 -4.943 11.346 -14.564 1.00 0.00 O ATOM 499 CB VAL A 29 -6.693 9.516 -12.164 1.00 0.00 C ATOM 500 CG1 VAL A 29 -6.974 10.877 -11.524 1.00 0.00 C ATOM 501 CG2 VAL A 29 -7.868 8.558 -11.954 1.00 0.00 C ATOM 0 H VAL A 29 -5.937 7.628 -13.811 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.118 10.341 -14.068 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.820 9.088 -11.672 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.201 10.742 -10.467 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.097 11.516 -11.628 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.824 11.344 -12.021 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.078 8.468 -10.888 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.749 8.945 -12.466 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.615 7.578 -12.358 1.00 0.00 H new ATOM 511 N GLY A 30 -3.936 9.658 -13.382 1.00 0.00 N ATOM 512 CA GLY A 30 -2.580 10.154 -13.549 1.00 0.00 C ATOM 513 C GLY A 30 -2.236 10.189 -15.040 1.00 0.00 C ATOM 514 O GLY A 30 -1.127 10.629 -15.378 1.00 0.00 O ATOM 0 H GLY A 30 -4.003 8.795 -12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.490 11.152 -13.119 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.877 9.513 -13.017 1.00 0.00 H new ATOM 518 N GLU A 31 -3.176 9.733 -15.887 1.00 0.00 N ATOM 519 CA GLU A 31 -2.972 9.713 -17.326 1.00 0.00 C ATOM 520 C GLU A 31 -2.318 11.026 -17.761 1.00 0.00 C ATOM 521 O GLU A 31 -2.502 12.037 -17.067 1.00 0.00 O ATOM 522 CB GLU A 31 -4.285 9.480 -18.075 1.00 0.00 C ATOM 523 CG GLU A 31 -4.960 10.807 -18.426 1.00 0.00 C ATOM 524 CD GLU A 31 -6.477 10.638 -18.533 1.00 0.00 C ATOM 525 OE1 GLU A 31 -6.954 9.804 -19.316 1.00 0.00 O ATOM 526 OE2 GLU A 31 -7.168 11.412 -17.765 1.00 0.00 O ATOM 0 H GLU A 31 -4.083 9.375 -15.588 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.312 8.882 -17.575 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.092 8.914 -18.986 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.956 8.878 -17.462 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.726 11.551 -17.664 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.565 11.182 -19.370 1.00 0.00 H new ATOM 533 N ARG A 32 -1.578 10.986 -18.885 1.00 0.00 N ATOM 534 CA ARG A 32 -0.905 12.164 -19.406 1.00 0.00 C ATOM 535 C ARG A 32 -1.951 13.178 -19.876 1.00 0.00 C ATOM 536 O ARG A 32 -2.893 13.485 -19.148 1.00 0.00 O ATOM 537 CB ARG A 32 0.018 11.815 -20.575 1.00 0.00 C ATOM 538 CG ARG A 32 1.476 11.741 -20.118 1.00 0.00 C ATOM 539 CD ARG A 32 1.646 10.719 -18.991 1.00 0.00 C ATOM 540 NE ARG A 32 1.556 11.396 -17.677 1.00 0.00 N ATOM 541 CZ ARG A 32 1.480 10.748 -16.496 1.00 0.00 C ATOM 542 NH1 ARG A 32 1.487 9.408 -16.488 1.00 0.00 N ATOM 543 NH2 ARG A 32 1.401 11.434 -15.347 1.00 0.00 N ATOM 0 H ARG A 32 -1.438 10.143 -19.442 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.296 12.586 -18.607 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.281 10.860 -21.006 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.083 12.565 -21.360 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.112 11.468 -20.960 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.804 12.723 -19.776 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.877 9.950 -19.067 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.609 10.217 -19.086 1.00 0.00 H new ATOM 0 HE ARG A 32 1.551 12.416 -17.664 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.549 8.893 -17.366 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.430 8.903 -15.604 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.398 12.454 -15.361 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.344 10.936 -14.459 1.00 0.00 H new ATOM 558 N MET B 1 16.334 -6.784 12.821 1.00 0.00 N ATOM 559 CA MET B 1 15.072 -6.495 13.480 1.00 0.00 C ATOM 560 C MET B 1 14.901 -4.980 13.603 1.00 0.00 C ATOM 561 O MET B 1 13.772 -4.498 13.431 1.00 0.00 O ATOM 562 CB MET B 1 15.040 -7.127 14.873 1.00 0.00 C ATOM 563 CG MET B 1 13.645 -7.661 15.202 1.00 0.00 C ATOM 564 SD MET B 1 13.502 -7.967 16.987 1.00 0.00 S ATOM 565 CE MET B 1 15.198 -8.505 17.353 1.00 0.00 C ATOM 0 H1 MET B 1 16.357 -7.784 12.538 1.00 0.00 H new ATOM 0 H2 MET B 1 16.431 -6.183 11.978 1.00 0.00 H new ATOM 0 H3 MET B 1 17.119 -6.591 13.475 1.00 0.00 H new ATOM 0 HA MET B 1 14.259 -6.913 12.887 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.765 -7.939 14.924 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.335 -6.388 15.618 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.888 -6.943 14.886 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.460 -8.583 14.651 1.00 0.00 H new ATOM 0 HE1 MET B 1 15.191 -9.164 18.222 1.00 0.00 H new ATOM 0 HE2 MET B 1 15.603 -9.041 16.494 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.819 -7.634 17.563 1.00 0.00 H new ATOM 575 N ASP B 2 16.006 -4.271 13.893 1.00 0.00 N ATOM 576 CA ASP B 2 15.979 -2.825 14.037 1.00 0.00 C ATOM 577 C ASP B 2 15.283 -2.210 12.822 1.00 0.00 C ATOM 578 O ASP B 2 14.596 -1.190 12.988 1.00 0.00 O ATOM 579 CB ASP B 2 17.395 -2.252 14.110 1.00 0.00 C ATOM 580 CG ASP B 2 18.407 -3.122 14.859 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.562 -4.317 14.566 1.00 0.00 O ATOM 582 OD2 ASP B 2 19.061 -2.518 15.792 1.00 0.00 O ATOM 0 H ASP B 2 16.927 -4.688 14.031 1.00 0.00 H new ATOM 0 HA ASP B 2 15.446 -2.588 14.958 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.758 -2.091 13.095 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.351 -1.275 14.592 1.00 0.00 H new ATOM 587 N ALA B 3 15.469 -2.830 11.643 1.00 0.00 N ATOM 588 CA ALA B 3 14.862 -2.346 10.414 1.00 0.00 C ATOM 589 C ALA B 3 13.516 -3.042 10.206 1.00 0.00 C ATOM 590 O ALA B 3 12.697 -2.525 9.432 1.00 0.00 O ATOM 591 CB ALA B 3 15.736 -2.736 9.220 1.00 0.00 C ATOM 0 H ALA B 3 16.038 -3.668 11.527 1.00 0.00 H new ATOM 0 HA ALA B 3 14.749 -1.264 10.487 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.279 -2.372 8.300 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.725 -2.293 9.333 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.827 -3.821 9.175 1.00 0.00 H new ATOM 597 N ILE B 4 13.315 -4.183 10.890 1.00 0.00 N ATOM 598 CA ILE B 4 12.080 -4.940 10.781 1.00 0.00 C ATOM 599 C ILE B 4 10.966 -4.198 11.524 1.00 0.00 C ATOM 600 O ILE B 4 9.874 -4.055 10.956 1.00 0.00 O ATOM 601 CB ILE B 4 12.288 -6.377 11.260 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.338 -7.093 10.407 1.00 0.00 C ATOM 603 CG2 ILE B 4 10.962 -7.140 11.298 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.813 -8.442 9.911 1.00 0.00 C ATOM 0 H ILE B 4 14.002 -4.592 11.523 1.00 0.00 H new ATOM 0 HA ILE B 4 11.772 -5.019 9.739 1.00 0.00 H new ATOM 0 HB ILE B 4 12.670 -6.345 12.280 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.608 -6.468 9.556 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.245 -7.244 10.992 1.00 0.00 H new ATOM 0 HG21 ILE B 4 11.138 -8.159 11.642 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.274 -6.641 11.980 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.528 -7.165 10.299 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.578 -8.930 9.307 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.567 -9.073 10.765 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.920 -8.285 9.307 1.00 0.00 H new ATOM 616 N LYS B 5 11.259 -3.752 12.758 1.00 0.00 N ATOM 617 CA LYS B 5 10.289 -3.034 13.568 1.00 0.00 C ATOM 618 C LYS B 5 9.797 -1.806 12.798 1.00 0.00 C ATOM 619 O LYS B 5 8.628 -1.431 12.971 1.00 0.00 O ATOM 620 CB LYS B 5 10.877 -2.703 14.940 1.00 0.00 C ATOM 621 CG LYS B 5 12.269 -2.082 14.806 1.00 0.00 C ATOM 622 CD LYS B 5 13.096 -2.309 16.073 1.00 0.00 C ATOM 623 CE LYS B 5 13.443 -3.789 16.244 1.00 0.00 C ATOM 624 NZ LYS B 5 13.064 -4.257 17.587 1.00 0.00 N ATOM 0 H LYS B 5 12.165 -3.882 13.207 1.00 0.00 H new ATOM 0 HA LYS B 5 9.418 -3.660 13.762 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.217 -2.013 15.466 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.936 -3.609 15.542 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.784 -2.516 13.949 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.177 -1.013 14.614 1.00 0.00 H new ATOM 0 HD2 LYS B 5 14.012 -1.720 16.024 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.539 -1.960 16.942 1.00 0.00 H new ATOM 0 HE2 LYS B 5 12.926 -4.379 15.488 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.512 -3.938 16.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.131 -5.294 17.625 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 13.705 -3.842 18.293 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 12.087 -3.966 17.793 1.00 0.00 H new ATOM 638 N LYS B 6 10.684 -1.216 11.976 1.00 0.00 N ATOM 639 CA LYS B 6 10.341 -0.043 11.189 1.00 0.00 C ATOM 640 C LYS B 6 9.762 -0.487 9.845 1.00 0.00 C ATOM 641 O LYS B 6 8.951 0.258 9.277 1.00 0.00 O ATOM 642 CB LYS B 6 11.548 0.888 11.062 1.00 0.00 C ATOM 643 CG LYS B 6 12.373 0.896 12.351 1.00 0.00 C ATOM 644 CD LYS B 6 11.561 1.461 13.518 1.00 0.00 C ATOM 645 CE LYS B 6 11.749 2.974 13.635 1.00 0.00 C ATOM 646 NZ LYS B 6 12.747 3.292 14.669 1.00 0.00 N ATOM 0 H LYS B 6 11.642 -1.542 11.847 1.00 0.00 H new ATOM 0 HA LYS B 6 9.569 0.540 11.691 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.173 0.568 10.228 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.210 1.899 10.836 1.00 0.00 H new ATOM 0 HG2 LYS B 6 12.697 -0.118 12.586 1.00 0.00 H new ATOM 0 HG3 LYS B 6 13.273 1.493 12.207 1.00 0.00 H new ATOM 0 HD2 LYS B 6 10.505 1.232 13.375 1.00 0.00 H new ATOM 0 HD3 LYS B 6 11.869 0.980 14.446 1.00 0.00 H new ATOM 0 HE2 LYS B 6 12.068 3.382 12.676 1.00 0.00 H new ATOM 0 HE3 LYS B 6 10.798 3.446 13.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 12.862 4.324 14.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 12.427 2.920 15.586 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 13.658 2.858 14.418 1.00 0.00 H new ATOM 660 N LYS B 7 10.183 -1.673 9.371 1.00 0.00 N ATOM 661 CA LYS B 7 9.710 -2.208 8.105 1.00 0.00 C ATOM 662 C LYS B 7 8.180 -2.249 8.113 1.00 0.00 C ATOM 663 O LYS B 7 7.573 -1.754 7.152 1.00 0.00 O ATOM 664 CB LYS B 7 10.360 -3.563 7.820 1.00 0.00 C ATOM 665 CG LYS B 7 9.920 -4.108 6.459 1.00 0.00 C ATOM 666 CD LYS B 7 9.960 -3.012 5.392 1.00 0.00 C ATOM 667 CE LYS B 7 9.976 -3.616 3.986 1.00 0.00 C ATOM 668 NZ LYS B 7 9.704 -2.579 2.977 1.00 0.00 N ATOM 0 H LYS B 7 10.852 -2.272 9.855 1.00 0.00 H new ATOM 0 HA LYS B 7 10.007 -1.558 7.282 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.445 -3.461 7.841 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.091 -4.271 8.604 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.571 -4.931 6.165 1.00 0.00 H new ATOM 0 HG3 LYS B 7 8.910 -4.511 6.534 1.00 0.00 H new ATOM 0 HD2 LYS B 7 9.093 -2.361 5.502 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.845 -2.392 5.535 1.00 0.00 H new ATOM 0 HE2 LYS B 7 10.945 -4.075 3.792 1.00 0.00 H new ATOM 0 HE3 LYS B 7 9.229 -4.406 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 9.258 -3.014 2.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 9.065 -1.864 3.378 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 10.597 -2.126 2.695 1.00 0.00 H new ATOM 682 N MET B 8 7.600 -2.826 9.179 1.00 0.00 N ATOM 683 CA MET B 8 6.156 -2.928 9.307 1.00 0.00 C ATOM 684 C MET B 8 5.561 -1.527 9.460 1.00 0.00 C ATOM 685 O MET B 8 4.390 -1.340 9.097 1.00 0.00 O ATOM 686 CB MET B 8 5.789 -3.774 10.527 1.00 0.00 C ATOM 687 CG MET B 8 6.545 -3.302 11.771 1.00 0.00 C ATOM 688 SD MET B 8 5.510 -3.519 13.249 1.00 0.00 S ATOM 689 CE MET B 8 4.262 -2.233 12.953 1.00 0.00 C ATOM 0 H MET B 8 8.119 -3.226 9.960 1.00 0.00 H new ATOM 0 HA MET B 8 5.754 -3.406 8.414 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.715 -3.714 10.705 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.022 -4.821 10.331 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.471 -3.867 11.880 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.822 -2.253 11.662 1.00 0.00 H new ATOM 0 HE1 MET B 8 3.961 -1.793 13.904 1.00 0.00 H new ATOM 0 HE2 MET B 8 4.683 -1.459 12.312 1.00 0.00 H new ATOM 0 HE3 MET B 8 3.393 -2.675 12.466 1.00 0.00 H new ATOM 699 N GLN B 9 6.365 -0.585 9.985 1.00 0.00 N ATOM 700 CA GLN B 9 5.921 0.785 10.182 1.00 0.00 C ATOM 701 C GLN B 9 6.026 1.545 8.859 1.00 0.00 C ATOM 702 O GLN B 9 5.301 2.537 8.689 1.00 0.00 O ATOM 703 CB GLN B 9 6.725 1.483 11.281 1.00 0.00 C ATOM 704 CG GLN B 9 6.395 0.898 12.656 1.00 0.00 C ATOM 705 CD GLN B 9 6.876 1.825 13.775 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.494 2.979 13.867 1.00 0.00 O ATOM 707 NE2 GLN B 9 7.733 1.256 14.617 1.00 0.00 N ATOM 0 H GLN B 9 7.326 -0.760 10.278 1.00 0.00 H new ATOM 0 HA GLN B 9 4.881 0.773 10.508 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.791 1.374 11.082 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.507 2.551 11.274 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.319 0.746 12.742 1.00 0.00 H new ATOM 0 HG3 GLN B 9 6.865 -0.080 12.762 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.011 0.284 14.482 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.112 1.791 15.398 1.00 0.00 H new ATOM 716 N MET B 10 6.912 1.076 7.962 1.00 0.00 N ATOM 717 CA MET B 10 7.107 1.707 6.668 1.00 0.00 C ATOM 718 C MET B 10 6.001 1.255 5.712 1.00 0.00 C ATOM 719 O MET B 10 5.515 2.091 4.935 1.00 0.00 O ATOM 720 CB MET B 10 8.471 1.325 6.089 1.00 0.00 C ATOM 721 CG MET B 10 9.592 1.620 7.086 1.00 0.00 C ATOM 722 SD MET B 10 10.796 2.763 6.349 1.00 0.00 S ATOM 723 CE MET B 10 10.795 4.077 7.605 1.00 0.00 C ATOM 0 H MET B 10 7.501 0.258 8.122 1.00 0.00 H new ATOM 0 HA MET B 10 7.069 2.789 6.792 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.477 0.266 5.832 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.646 1.878 5.166 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.176 2.054 7.995 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.088 0.693 7.373 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.487 4.865 7.307 1.00 0.00 H new ATOM 0 HE2 MET B 10 9.791 4.491 7.698 1.00 0.00 H new ATOM 0 HE3 MET B 10 11.107 3.664 8.564 1.00 0.00 H new ATOM 733 N LEU B 11 5.632 -0.036 5.787 1.00 0.00 N ATOM 734 CA LEU B 11 4.594 -0.590 4.934 1.00 0.00 C ATOM 735 C LEU B 11 3.223 -0.168 5.467 1.00 0.00 C ATOM 736 O LEU B 11 2.278 -0.092 4.669 1.00 0.00 O ATOM 737 CB LEU B 11 4.762 -2.105 4.800 1.00 0.00 C ATOM 738 CG LEU B 11 6.098 -2.583 4.227 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.195 -4.109 4.263 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.319 -2.029 2.817 1.00 0.00 C ATOM 0 H LEU B 11 6.045 -0.707 6.435 1.00 0.00 H new ATOM 0 HA LEU B 11 4.680 -0.193 3.923 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.630 -2.554 5.784 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.961 -2.485 4.166 1.00 0.00 H new ATOM 0 HG LEU B 11 6.898 -2.194 4.856 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.154 -4.422 3.850 1.00 0.00 H new ATOM 0 HD12 LEU B 11 6.113 -4.455 5.294 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.387 -4.539 3.671 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.275 -2.384 2.433 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.516 -2.369 2.163 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.323 -0.940 2.851 1.00 0.00 H new ATOM 752 N LYS B 12 3.143 0.092 6.785 1.00 0.00 N ATOM 753 CA LYS B 12 1.900 0.501 7.415 1.00 0.00 C ATOM 754 C LYS B 12 1.616 1.964 7.072 1.00 0.00 C ATOM 755 O LYS B 12 0.436 2.321 6.942 1.00 0.00 O ATOM 756 CB LYS B 12 1.943 0.219 8.919 1.00 0.00 C ATOM 757 CG LYS B 12 1.503 -1.214 9.221 1.00 0.00 C ATOM 758 CD LYS B 12 0.179 -1.232 9.988 1.00 0.00 C ATOM 759 CE LYS B 12 -0.963 -0.696 9.123 1.00 0.00 C ATOM 760 NZ LYS B 12 -1.465 -1.747 8.223 1.00 0.00 N ATOM 0 H LYS B 12 3.934 0.022 7.425 1.00 0.00 H new ATOM 0 HA LYS B 12 1.066 -0.085 7.028 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.954 0.379 9.294 1.00 0.00 H new ATOM 0 HB3 LYS B 12 1.294 0.921 9.443 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.395 -1.769 8.289 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.272 -1.719 9.805 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -0.048 -2.250 10.306 1.00 0.00 H new ATOM 0 HD3 LYS B 12 0.270 -0.629 10.891 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.772 -0.337 9.760 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -0.616 0.156 8.539 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -2.502 -1.691 8.168 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -1.060 -1.614 7.274 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -1.188 -2.680 8.590 1.00 0.00 H new ATOM 774 N LEU B 13 2.685 2.768 6.934 1.00 0.00 N ATOM 775 CA LEU B 13 2.551 4.178 6.608 1.00 0.00 C ATOM 776 C LEU B 13 2.153 4.322 5.138 1.00 0.00 C ATOM 777 O LEU B 13 1.245 5.116 4.848 1.00 0.00 O ATOM 778 CB LEU B 13 3.827 4.937 6.977 1.00 0.00 C ATOM 779 CG LEU B 13 3.695 6.457 7.093 1.00 0.00 C ATOM 780 CD1 LEU B 13 5.020 7.149 6.763 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.547 6.975 6.224 1.00 0.00 C ATOM 0 H LEU B 13 3.649 2.454 7.046 1.00 0.00 H new ATOM 0 HA LEU B 13 1.756 4.632 7.200 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.193 4.551 7.928 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.587 4.715 6.228 1.00 0.00 H new ATOM 0 HG LEU B 13 3.452 6.701 8.127 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.899 8.229 6.853 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.790 6.811 7.457 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.316 6.901 5.744 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.475 8.058 6.325 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.736 6.719 5.181 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.612 6.517 6.546 1.00 0.00 H new ATOM 793 N ASP B 14 2.828 3.566 4.255 1.00 0.00 N ATOM 794 CA ASP B 14 2.546 3.609 2.830 1.00 0.00 C ATOM 795 C ASP B 14 1.129 3.089 2.578 1.00 0.00 C ATOM 796 O ASP B 14 0.491 3.552 1.621 1.00 0.00 O ATOM 797 CB ASP B 14 3.520 2.727 2.048 1.00 0.00 C ATOM 798 CG ASP B 14 4.063 3.345 0.759 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.152 4.632 0.768 1.00 0.00 O ATOM 800 OD2 ASP B 14 4.386 2.634 -0.205 1.00 0.00 O ATOM 0 H ASP B 14 3.573 2.920 4.515 1.00 0.00 H new ATOM 0 HA ASP B 14 2.650 4.642 2.498 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.361 2.478 2.696 1.00 0.00 H new ATOM 0 HB3 ASP B 14 3.020 1.791 1.801 1.00 0.00 H new ATOM 805 N ASN B 15 0.674 2.150 3.428 1.00 0.00 N ATOM 806 CA ASN B 15 -0.654 1.574 3.298 1.00 0.00 C ATOM 807 C ASN B 15 -1.703 2.660 3.548 1.00 0.00 C ATOM 808 O ASN B 15 -2.629 2.784 2.732 1.00 0.00 O ATOM 809 CB ASN B 15 -0.873 0.459 4.323 1.00 0.00 C ATOM 810 CG ASN B 15 -1.967 -0.505 3.858 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.143 -0.327 4.130 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.516 -1.532 3.146 1.00 0.00 N ATOM 0 H ASN B 15 1.216 1.781 4.209 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.747 1.163 2.293 1.00 0.00 H new ATOM 0 HB2 ASN B 15 0.058 -0.088 4.476 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.150 0.893 5.284 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.168 -2.232 2.791 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.518 -1.621 2.955 1.00 0.00 H new ATOM 819 N TYR B 16 -1.541 3.410 4.652 1.00 0.00 N ATOM 820 CA TYR B 16 -2.507 4.455 4.950 1.00 0.00 C ATOM 821 C TYR B 16 -2.535 5.459 3.796 1.00 0.00 C ATOM 822 O TYR B 16 -3.618 5.991 3.514 1.00 0.00 O ATOM 823 CB TYR B 16 -2.160 5.130 6.289 1.00 0.00 C ATOM 824 CG TYR B 16 -1.790 4.163 7.406 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.438 2.912 7.514 1.00 0.00 C ATOM 826 CD2 TYR B 16 -0.795 4.518 8.346 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.093 2.021 8.553 1.00 0.00 C ATOM 828 CE2 TYR B 16 -0.450 3.627 9.384 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.098 2.377 9.489 1.00 0.00 C ATOM 830 OH TYR B 16 -0.760 1.517 10.495 1.00 0.00 O ATOM 0 H TYR B 16 -0.779 3.312 5.323 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.503 4.025 5.052 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.329 5.817 6.130 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.012 5.729 6.611 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.200 2.637 6.799 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.298 5.474 8.269 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.591 1.066 8.632 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.311 3.902 10.099 1.00 0.00 H new ATOM 0 HH TYR B 16 -0.058 1.920 11.047 1.00 0.00 H new ATOM 840 N HIS B 17 -1.369 5.703 3.170 1.00 0.00 N ATOM 841 CA HIS B 17 -1.270 6.645 2.067 1.00 0.00 C ATOM 842 C HIS B 17 -1.861 6.011 0.807 1.00 0.00 C ATOM 843 O HIS B 17 -2.486 6.736 0.020 1.00 0.00 O ATOM 844 CB HIS B 17 0.175 7.112 1.876 1.00 0.00 C ATOM 845 CG HIS B 17 0.650 7.064 0.443 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.542 8.141 -0.419 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.237 6.059 -0.269 1.00 0.00 C ATOM 848 CE1 HIS B 17 1.044 7.789 -1.594 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.473 6.498 -1.499 1.00 0.00 N ATOM 0 H HIS B 17 -0.487 5.254 3.418 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.849 7.541 2.292 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.268 8.133 2.245 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.831 6.491 2.487 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.470 5.073 0.105 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.103 8.415 -2.472 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.904 5.959 -2.250 1.00 0.00 H new ATOM 857 N LEU B 18 -1.654 4.692 0.641 1.00 0.00 N ATOM 858 CA LEU B 18 -2.163 3.971 -0.513 1.00 0.00 C ATOM 859 C LEU B 18 -3.683 3.836 -0.396 1.00 0.00 C ATOM 860 O LEU B 18 -4.366 3.949 -1.424 1.00 0.00 O ATOM 861 CB LEU B 18 -1.438 2.633 -0.672 1.00 0.00 C ATOM 862 CG LEU B 18 -0.017 2.703 -1.235 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.690 1.352 -1.110 1.00 0.00 C ATOM 864 CD2 LEU B 18 -0.022 3.217 -2.675 1.00 0.00 C ATOM 0 H LEU B 18 -1.135 4.113 1.301 1.00 0.00 H new ATOM 0 HA LEU B 18 -1.961 4.528 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.398 2.146 0.302 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.035 1.994 -1.323 1.00 0.00 H new ATOM 0 HG LEU B 18 0.551 3.419 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.698 1.430 -1.518 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.744 1.066 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU B 18 0.132 0.597 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU B 18 1.000 3.257 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.612 2.546 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.458 4.216 -2.703 1.00 0.00 H new ATOM 876 N GLU B 19 -4.173 3.602 0.834 1.00 0.00 N ATOM 877 CA GLU B 19 -5.598 3.455 1.080 1.00 0.00 C ATOM 878 C GLU B 19 -6.291 4.802 0.864 1.00 0.00 C ATOM 879 O GLU B 19 -7.304 4.835 0.150 1.00 0.00 O ATOM 880 CB GLU B 19 -5.873 2.916 2.486 1.00 0.00 C ATOM 881 CG GLU B 19 -7.054 1.944 2.480 1.00 0.00 C ATOM 882 CD GLU B 19 -8.375 2.688 2.274 1.00 0.00 C ATOM 883 OE1 GLU B 19 -8.542 3.807 2.783 1.00 0.00 O ATOM 884 OE2 GLU B 19 -9.247 2.064 1.558 1.00 0.00 O ATOM 0 H GLU B 19 -3.593 3.512 1.668 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.001 2.727 0.376 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.985 2.412 2.866 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.083 3.745 3.162 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -6.920 1.208 1.688 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.084 1.396 3.422 1.00 0.00 H new ATOM 891 N ASN B 20 -5.740 5.867 1.474 1.00 0.00 N ATOM 892 CA ASN B 20 -6.303 7.201 1.349 1.00 0.00 C ATOM 893 C ASN B 20 -6.194 7.661 -0.106 1.00 0.00 C ATOM 894 O ASN B 20 -7.059 8.432 -0.547 1.00 0.00 O ATOM 895 CB ASN B 20 -5.541 8.203 2.219 1.00 0.00 C ATOM 896 CG ASN B 20 -6.167 8.306 3.612 1.00 0.00 C ATOM 897 OD1 ASN B 20 -7.329 8.639 3.776 1.00 0.00 O ATOM 898 ND2 ASN B 20 -5.333 8.002 4.603 1.00 0.00 N ATOM 0 H ASN B 20 -4.904 5.818 2.057 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.343 7.160 1.671 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.499 7.896 2.306 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.545 9.183 1.741 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -5.655 8.040 5.570 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -4.372 7.731 4.396 1.00 0.00 H new ATOM 905 N GLU B 21 -5.151 7.186 -0.812 1.00 0.00 N ATOM 906 CA GLU B 21 -4.936 7.546 -2.202 1.00 0.00 C ATOM 907 C GLU B 21 -5.846 6.697 -3.092 1.00 0.00 C ATOM 908 O GLU B 21 -6.296 7.205 -4.130 1.00 0.00 O ATOM 909 CB GLU B 21 -3.468 7.380 -2.604 1.00 0.00 C ATOM 910 CG GLU B 21 -3.200 8.008 -3.974 1.00 0.00 C ATOM 911 CD GLU B 21 -2.698 9.446 -3.830 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.634 9.674 -3.237 1.00 0.00 O ATOM 913 OE2 GLU B 21 -3.457 10.343 -4.361 1.00 0.00 O ATOM 0 H GLU B 21 -4.450 6.551 -0.430 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.186 8.599 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.827 7.845 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.212 6.321 -2.629 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -2.462 7.414 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.114 7.996 -4.568 1.00 0.00 H new ATOM 920 N VAL B 22 -6.095 5.443 -2.676 1.00 0.00 N ATOM 921 CA VAL B 22 -6.945 4.536 -3.429 1.00 0.00 C ATOM 922 C VAL B 22 -8.412 4.904 -3.196 1.00 0.00 C ATOM 923 O VAL B 22 -9.199 4.825 -4.150 1.00 0.00 O ATOM 924 CB VAL B 22 -6.626 3.088 -3.055 1.00 0.00 C ATOM 925 CG1 VAL B 22 -7.853 2.192 -3.236 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.438 2.561 -3.863 1.00 0.00 C ATOM 0 H VAL B 22 -5.713 5.044 -1.818 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.752 4.632 -4.497 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.349 3.068 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.599 1.168 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -8.661 2.548 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.174 2.221 -4.277 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.233 1.529 -3.577 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.674 2.603 -4.926 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.560 3.175 -3.662 1.00 0.00 H new ATOM 936 N ALA B 23 -8.744 5.295 -1.952 1.00 0.00 N ATOM 937 CA ALA B 23 -10.102 5.670 -1.600 1.00 0.00 C ATOM 938 C ALA B 23 -10.449 6.999 -2.275 1.00 0.00 C ATOM 939 O ALA B 23 -11.644 7.268 -2.469 1.00 0.00 O ATOM 940 CB ALA B 23 -10.193 5.918 -0.092 1.00 0.00 C ATOM 0 H ALA B 23 -8.080 5.355 -1.180 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.774 4.871 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.213 6.199 0.170 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -9.919 5.009 0.443 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.512 6.722 0.186 1.00 0.00 H new ATOM 946 N ARG B 24 -9.416 7.792 -2.610 1.00 0.00 N ATOM 947 CA ARG B 24 -9.611 9.080 -3.256 1.00 0.00 C ATOM 948 C ARG B 24 -9.535 8.901 -4.774 1.00 0.00 C ATOM 949 O ARG B 24 -10.123 9.720 -5.495 1.00 0.00 O ATOM 950 CB ARG B 24 -8.557 10.097 -2.815 1.00 0.00 C ATOM 951 CG ARG B 24 -8.998 10.826 -1.544 1.00 0.00 C ATOM 952 CD ARG B 24 -7.887 11.742 -1.026 1.00 0.00 C ATOM 953 NE ARG B 24 -8.448 13.064 -0.665 1.00 0.00 N ATOM 954 CZ ARG B 24 -8.590 13.506 0.602 1.00 0.00 C ATOM 955 NH1 ARG B 24 -8.207 12.715 1.613 1.00 0.00 N ATOM 956 NH2 ARG B 24 -9.108 14.718 0.846 1.00 0.00 N ATOM 0 H ARG B 24 -8.439 7.553 -2.439 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.591 9.459 -2.965 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.609 9.590 -2.637 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.387 10.820 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.893 11.413 -1.749 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -9.263 10.099 -0.776 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -7.408 11.291 -0.157 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -7.117 11.860 -1.788 1.00 0.00 H new ATOM 0 HE ARG B 24 -8.746 13.679 -1.422 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -7.815 11.794 1.419 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -8.308 13.034 2.577 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -9.398 15.314 0.071 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -9.212 15.044 1.807 1.00 0.00 H new ATOM 970 N LEU B 25 -8.822 7.851 -5.221 1.00 0.00 N ATOM 971 CA LEU B 25 -8.671 7.571 -6.639 1.00 0.00 C ATOM 972 C LEU B 25 -9.873 6.758 -7.124 1.00 0.00 C ATOM 973 O LEU B 25 -10.345 7.013 -8.242 1.00 0.00 O ATOM 974 CB LEU B 25 -7.324 6.901 -6.912 1.00 0.00 C ATOM 975 CG LEU B 25 -6.103 7.824 -6.915 1.00 0.00 C ATOM 976 CD1 LEU B 25 -4.804 7.016 -6.858 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.136 8.771 -8.116 1.00 0.00 C ATOM 0 H LEU B 25 -8.345 7.188 -4.610 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.661 8.498 -7.212 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.167 6.127 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.379 6.401 -7.879 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.138 8.440 -6.017 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -3.952 7.696 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.787 6.418 -5.947 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -4.746 6.358 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.258 9.416 -8.095 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.137 8.190 -9.038 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.037 9.383 -8.072 1.00 0.00 H new ATOM 989 N LYS B 26 -10.336 5.811 -6.289 1.00 0.00 N ATOM 990 CA LYS B 26 -11.471 4.970 -6.631 1.00 0.00 C ATOM 991 C LYS B 26 -12.698 5.851 -6.873 1.00 0.00 C ATOM 992 O LYS B 26 -13.613 5.405 -7.580 1.00 0.00 O ATOM 993 CB LYS B 26 -11.684 3.898 -5.560 1.00 0.00 C ATOM 994 CG LYS B 26 -10.689 2.749 -5.727 1.00 0.00 C ATOM 995 CD LYS B 26 -11.383 1.395 -5.566 1.00 0.00 C ATOM 996 CE LYS B 26 -12.320 1.116 -6.743 1.00 0.00 C ATOM 997 NZ LYS B 26 -12.949 -0.208 -6.598 1.00 0.00 N ATOM 0 H LYS B 26 -9.933 5.617 -5.372 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.280 4.429 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.571 4.341 -4.570 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.702 3.514 -5.623 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.222 2.808 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -9.892 2.843 -4.989 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -10.635 0.605 -5.497 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -11.949 1.381 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -13.089 1.887 -6.794 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.762 1.160 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.582 -0.382 -7.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.212 -0.941 -6.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.498 -0.237 -5.715 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.693 7.064 -6.293 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.797 7.995 -6.444 1.00 0.00 C ATOM 1013 C LYS B 27 -13.705 8.670 -7.815 1.00 0.00 C ATOM 1014 O LYS B 27 -14.693 9.289 -8.235 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.832 8.981 -5.275 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.264 9.196 -4.782 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.631 10.682 -4.793 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.702 11.483 -3.879 1.00 0.00 C ATOM 1019 NZ LYS B 27 -14.725 12.909 -4.243 1.00 0.00 N ATOM 0 H LYS B 27 -11.928 7.413 -5.715 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.749 7.465 -6.411 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.215 8.605 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.403 9.934 -5.585 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.957 8.642 -5.415 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.368 8.800 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -15.568 11.068 -5.810 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -16.664 10.808 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -15.010 11.362 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.685 11.098 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -14.089 13.438 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -14.409 13.021 -5.228 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -15.693 13.276 -4.146 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.539 8.538 -8.474 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.324 9.131 -9.782 1.00 0.00 C ATOM 1035 C LEU B 28 -12.354 8.032 -10.846 1.00 0.00 C ATOM 1036 O LEU B 28 -12.805 8.308 -11.968 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.037 9.959 -9.790 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.154 11.374 -10.360 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.518 12.377 -9.264 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -9.877 11.774 -11.102 1.00 0.00 C ATOM 0 H LEU B 28 -11.737 8.022 -8.111 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.127 9.829 -10.020 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.668 10.030 -8.767 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.284 9.419 -10.364 1.00 0.00 H new ATOM 0 HG LEU B 28 -11.965 11.383 -11.088 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.595 13.375 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.474 12.099 -8.819 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.745 12.373 -8.495 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -9.987 12.784 -11.497 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.032 11.743 -10.414 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -9.701 11.080 -11.924 1.00 0.00 H new ATOM 1052 N VAL B 29 -11.882 6.826 -10.480 1.00 0.00 N ATOM 1053 CA VAL B 29 -11.856 5.699 -11.397 1.00 0.00 C ATOM 1054 C VAL B 29 -12.971 4.720 -11.027 1.00 0.00 C ATOM 1055 O VAL B 29 -13.893 4.542 -11.836 1.00 0.00 O ATOM 1056 CB VAL B 29 -10.468 5.054 -11.394 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -10.294 4.123 -12.595 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -9.369 6.118 -11.360 1.00 0.00 C ATOM 0 H VAL B 29 -11.515 6.619 -9.551 1.00 0.00 H new ATOM 0 HA VAL B 29 -12.042 6.033 -12.418 1.00 0.00 H new ATOM 0 HB VAL B 29 -10.379 4.453 -10.489 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -9.299 3.678 -12.569 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -11.046 3.335 -12.556 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -10.413 4.692 -13.517 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -8.393 5.633 -11.358 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -9.455 6.758 -12.238 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -9.475 6.722 -10.459 1.00 0.00 H new ATOM 1068 N GLY B 30 -12.868 4.114 -9.830 1.00 0.00 N ATOM 1069 CA GLY B 30 -13.860 3.163 -9.359 1.00 0.00 C ATOM 1070 C GLY B 30 -15.235 3.834 -9.343 1.00 0.00 C ATOM 1071 O GLY B 30 -16.228 3.137 -9.089 1.00 0.00 O ATOM 0 H GLY B 30 -12.100 4.275 -9.178 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -13.877 2.287 -10.007 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -13.601 2.815 -8.359 1.00 0.00 H new