USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 580 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 12 LYS NZ :NH3+ 156:sc= -0.259 (180deg=-0.46) USER MOD Set 1.2: A 16 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 8 MET CE :methyl 158:sc= -0.158 (180deg=0) USER MOD Set 2.2: B 7 LYS NZ :NH3+ -112:sc= -1 (180deg=-2.89!) USER MOD Single : A 1 MET CE :methyl -172:sc= -3.93 (180deg=-4.09) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.126) USER MOD Single : A 5 LYS NZ :NH3+ 144:sc= -0.0152 (180deg=-0.294) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -120:sc= -0.0534 (180deg=-1.04) USER MOD Single : A 9 GLN : amide:sc= -0.0136 X(o=-0.014,f=-0.0082) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -2.96 K(o=-3,f=-0.85) USER MOD Single : A 17 HIS : no HD1:sc= -1.44 X(o=-1.4,f=-1.6!) USER MOD Single : A 20 ASN : amide:sc= -8.6! C(o=-8.6!,f=-16!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -107:sc= -0.0832 (180deg=-1.15) USER MOD Single : B 1 MET N :NH3+ -167:sc= 0 (180deg=-0.164) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ -145:sc= -0.283 (180deg=-1.4!) USER MOD Single : B 8 MET CE :methyl -156:sc= -1.61! (180deg=-2.05!) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 150:sc= -0.0937 (180deg=-0.694) USER MOD Single : B 15 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : B 16 TYR OH : rot 30:sc= -1.22 USER MOD Single : B 17 HIS : no HD1:sc= -0.559 K(o=-0.56,f=0) USER MOD Single : B 20 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.8!) USER MOD Single : B 26 LYS NZ :NH3+ -166:sc= -0.937 (180deg=-1.46) USER MOD Single : B 27 LYS NZ :NH3+ -128:sc= 0.124 (180deg=-0.0197) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.356 -11.811 16.905 1.00 0.00 N ATOM 2 CA MET A 1 9.089 -11.652 15.661 1.00 0.00 C ATOM 3 C MET A 1 8.516 -12.607 14.611 1.00 0.00 C ATOM 4 O MET A 1 8.375 -12.191 13.451 1.00 0.00 O ATOM 5 CB MET A 1 10.573 -11.959 15.874 1.00 0.00 C ATOM 6 CG MET A 1 11.449 -11.060 15.001 1.00 0.00 C ATOM 7 SD MET A 1 13.024 -11.891 14.636 1.00 0.00 S ATOM 8 CE MET A 1 12.434 -13.221 13.548 1.00 0.00 C ATOM 0 H1 MET A 1 8.612 -11.044 17.559 1.00 0.00 H new ATOM 0 H2 MET A 1 7.334 -11.776 16.713 1.00 0.00 H new ATOM 0 H3 MET A 1 8.596 -12.727 17.335 1.00 0.00 H new ATOM 0 HA MET A 1 8.989 -10.622 15.320 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.831 -11.816 16.923 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.769 -13.005 15.637 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.930 -10.823 14.072 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.637 -10.115 15.511 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.251 -13.913 13.344 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.619 -13.755 14.036 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.078 -12.793 12.611 1.00 0.00 H new ATOM 18 N ASP A 2 8.203 -13.846 15.031 1.00 0.00 N ATOM 19 CA ASP A 2 7.651 -14.846 14.133 1.00 0.00 C ATOM 20 C ASP A 2 6.439 -14.260 13.406 1.00 0.00 C ATOM 21 O ASP A 2 6.267 -14.555 12.214 1.00 0.00 O ATOM 22 CB ASP A 2 7.187 -16.083 14.905 1.00 0.00 C ATOM 23 CG ASP A 2 8.114 -16.522 16.040 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.306 -16.855 15.673 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.718 -16.546 17.215 1.00 0.00 O ATOM 0 H ASP A 2 8.328 -14.168 15.991 1.00 0.00 H new ATOM 0 HA ASP A 2 8.431 -15.132 13.427 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.199 -15.884 15.320 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.078 -16.911 14.204 1.00 0.00 H new ATOM 30 N ALA A 3 5.637 -13.454 14.125 1.00 0.00 N ATOM 31 CA ALA A 3 4.455 -12.834 13.553 1.00 0.00 C ATOM 32 C ALA A 3 4.846 -11.509 12.896 1.00 0.00 C ATOM 33 O ALA A 3 4.040 -10.975 12.119 1.00 0.00 O ATOM 34 CB ALA A 3 3.465 -12.485 14.666 1.00 0.00 C ATOM 0 H ALA A 3 5.797 -13.224 15.106 1.00 0.00 H new ATOM 0 HA ALA A 3 4.016 -13.527 12.835 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.580 -12.020 14.233 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.176 -13.394 15.194 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.933 -11.792 15.365 1.00 0.00 H new ATOM 40 N ILE A 4 6.055 -11.013 13.215 1.00 0.00 N ATOM 41 CA ILE A 4 6.546 -9.763 12.659 1.00 0.00 C ATOM 42 C ILE A 4 7.001 -9.994 11.217 1.00 0.00 C ATOM 43 O ILE A 4 6.635 -9.192 10.347 1.00 0.00 O ATOM 44 CB ILE A 4 7.629 -9.166 13.559 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.068 -8.823 14.941 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.288 -7.956 12.893 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.486 -7.416 15.369 1.00 0.00 C ATOM 0 H ILE A 4 6.703 -11.469 13.858 1.00 0.00 H new ATOM 0 HA ILE A 4 5.748 -9.021 12.625 1.00 0.00 H new ATOM 0 HB ILE A 4 8.405 -9.918 13.704 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.980 -8.893 14.924 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.423 -9.550 15.672 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.054 -7.550 13.553 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.745 -8.263 11.952 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.535 -7.193 12.699 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.074 -7.198 16.354 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.574 -7.356 15.409 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.109 -6.690 14.649 1.00 0.00 H new ATOM 59 N LYS A 5 7.781 -11.068 10.998 1.00 0.00 N ATOM 60 CA LYS A 5 8.281 -11.399 9.674 1.00 0.00 C ATOM 61 C LYS A 5 7.109 -11.463 8.692 1.00 0.00 C ATOM 62 O LYS A 5 7.295 -11.084 7.526 1.00 0.00 O ATOM 63 CB LYS A 5 9.113 -12.681 9.720 1.00 0.00 C ATOM 64 CG LYS A 5 10.067 -12.672 10.917 1.00 0.00 C ATOM 65 CD LYS A 5 9.707 -13.776 11.913 1.00 0.00 C ATOM 66 CE LYS A 5 10.321 -15.114 11.494 1.00 0.00 C ATOM 67 NZ LYS A 5 9.274 -16.031 11.011 1.00 0.00 N ATOM 0 H LYS A 5 8.073 -11.716 11.730 1.00 0.00 H new ATOM 0 HA LYS A 5 8.956 -10.621 9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.452 -13.546 9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.683 -12.782 8.797 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.092 -12.809 10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.025 -11.702 11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.062 -13.504 12.907 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.623 -13.873 11.977 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.061 -14.952 10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.844 -15.562 12.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.648 -16.603 10.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.977 -16.658 11.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.457 -15.480 10.679 1.00 0.00 H new ATOM 81 N LYS A 6 5.944 -11.932 9.174 1.00 0.00 N ATOM 82 CA LYS A 6 4.756 -12.042 8.344 1.00 0.00 C ATOM 83 C LYS A 6 4.024 -10.700 8.327 1.00 0.00 C ATOM 84 O LYS A 6 3.401 -10.380 7.303 1.00 0.00 O ATOM 85 CB LYS A 6 3.886 -13.212 8.808 1.00 0.00 C ATOM 86 CG LYS A 6 4.745 -14.345 9.373 1.00 0.00 C ATOM 87 CD LYS A 6 4.067 -15.702 9.172 1.00 0.00 C ATOM 88 CE LYS A 6 3.887 -16.008 7.684 1.00 0.00 C ATOM 89 NZ LYS A 6 3.638 -17.444 7.480 1.00 0.00 N ATOM 0 H LYS A 6 5.812 -12.239 10.138 1.00 0.00 H new ATOM 0 HA LYS A 6 5.031 -12.267 7.314 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.185 -12.869 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.293 -13.583 7.972 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.719 -14.346 8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.922 -14.177 10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.666 -16.485 9.638 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.096 -15.705 9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.054 -15.428 7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.778 -15.706 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.518 -17.635 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.445 -17.991 7.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.775 -17.722 7.989 1.00 0.00 H new ATOM 103 N LYS A 7 4.111 -9.952 9.442 1.00 0.00 N ATOM 104 CA LYS A 7 3.460 -8.658 9.554 1.00 0.00 C ATOM 105 C LYS A 7 3.850 -7.791 8.356 1.00 0.00 C ATOM 106 O LYS A 7 2.951 -7.214 7.728 1.00 0.00 O ATOM 107 CB LYS A 7 3.776 -8.015 10.906 1.00 0.00 C ATOM 108 CG LYS A 7 3.121 -6.638 11.024 1.00 0.00 C ATOM 109 CD LYS A 7 1.648 -6.693 10.615 1.00 0.00 C ATOM 110 CE LYS A 7 0.809 -5.728 11.455 1.00 0.00 C ATOM 111 NZ LYS A 7 1.245 -4.340 11.233 1.00 0.00 N ATOM 0 H LYS A 7 4.630 -10.233 10.274 1.00 0.00 H new ATOM 0 HA LYS A 7 2.376 -8.773 9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.423 -8.660 11.711 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.855 -7.920 11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.204 -6.279 12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.651 -5.924 10.393 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.550 -6.441 9.559 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.271 -7.708 10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.244 -5.831 11.194 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.902 -5.980 12.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.562 -3.928 12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.030 -4.328 10.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.451 -3.783 10.858 1.00 0.00 H new ATOM 125 N MET A 8 5.162 -7.718 8.066 1.00 0.00 N ATOM 126 CA MET A 8 5.662 -6.928 6.954 1.00 0.00 C ATOM 127 C MET A 8 5.259 -7.596 5.638 1.00 0.00 C ATOM 128 O MET A 8 5.160 -6.891 4.624 1.00 0.00 O ATOM 129 CB MET A 8 7.186 -6.815 7.024 1.00 0.00 C ATOM 130 CG MET A 8 7.840 -8.198 6.981 1.00 0.00 C ATOM 131 SD MET A 8 9.627 -8.031 6.694 1.00 0.00 S ATOM 132 CE MET A 8 9.643 -7.873 4.885 1.00 0.00 C ATOM 0 H MET A 8 5.887 -8.202 8.595 1.00 0.00 H new ATOM 0 HA MET A 8 5.233 -5.927 7.008 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.548 -6.211 6.192 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.475 -6.300 7.941 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.661 -8.723 7.919 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.391 -8.798 6.189 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.565 -7.385 4.571 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.584 -8.863 4.433 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.789 -7.276 4.564 1.00 0.00 H new ATOM 142 N GLN A 9 5.039 -8.922 5.679 1.00 0.00 N ATOM 143 CA GLN A 9 4.650 -9.676 4.499 1.00 0.00 C ATOM 144 C GLN A 9 3.182 -9.387 4.174 1.00 0.00 C ATOM 145 O GLN A 9 2.807 -9.495 2.997 1.00 0.00 O ATOM 146 CB GLN A 9 4.885 -11.176 4.686 1.00 0.00 C ATOM 147 CG GLN A 9 6.351 -11.536 4.437 1.00 0.00 C ATOM 148 CD GLN A 9 6.477 -12.940 3.842 1.00 0.00 C ATOM 149 OE1 GLN A 9 6.053 -13.212 2.732 1.00 0.00 O ATOM 150 NE2 GLN A 9 7.082 -13.814 4.641 1.00 0.00 N ATOM 0 H GLN A 9 5.127 -9.485 6.525 1.00 0.00 H new ATOM 0 HA GLN A 9 5.273 -9.360 3.662 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.601 -11.469 5.697 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.248 -11.736 4.001 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.798 -10.808 3.759 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.906 -11.483 5.373 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.414 -13.520 5.560 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.214 -14.778 4.335 1.00 0.00 H new ATOM 159 N MET A 10 2.396 -9.033 5.206 1.00 0.00 N ATOM 160 CA MET A 10 0.986 -8.732 5.031 1.00 0.00 C ATOM 161 C MET A 10 0.835 -7.323 4.455 1.00 0.00 C ATOM 162 O MET A 10 -0.034 -7.128 3.592 1.00 0.00 O ATOM 163 CB MET A 10 0.253 -8.816 6.373 1.00 0.00 C ATOM 164 CG MET A 10 0.716 -10.033 7.175 1.00 0.00 C ATOM 165 SD MET A 10 -0.724 -10.950 7.799 1.00 0.00 S ATOM 166 CE MET A 10 -0.905 -10.178 9.433 1.00 0.00 C ATOM 0 H MET A 10 2.726 -8.952 6.168 1.00 0.00 H new ATOM 0 HA MET A 10 0.551 -9.460 4.346 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.433 -7.907 6.947 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.822 -8.877 6.201 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.327 -10.682 6.547 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.343 -9.713 8.008 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.750 -10.627 9.956 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.005 -10.335 10.012 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.079 -9.109 9.313 1.00 0.00 H new ATOM 176 N LEU A 11 1.671 -6.385 4.933 1.00 0.00 N ATOM 177 CA LEU A 11 1.632 -5.009 4.467 1.00 0.00 C ATOM 178 C LEU A 11 2.325 -4.915 3.107 1.00 0.00 C ATOM 179 O LEU A 11 1.994 -4.000 2.338 1.00 0.00 O ATOM 180 CB LEU A 11 2.219 -4.069 5.523 1.00 0.00 C ATOM 181 CG LEU A 11 1.519 -4.066 6.883 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.207 -3.104 7.853 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.028 -3.757 6.731 1.00 0.00 C ATOM 0 H LEU A 11 2.380 -6.567 5.644 1.00 0.00 H new ATOM 0 HA LEU A 11 0.601 -4.685 4.322 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.265 -4.335 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.203 -3.054 5.126 1.00 0.00 H new ATOM 0 HG LEU A 11 1.600 -5.066 7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.689 -3.122 8.812 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.244 -3.410 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.180 -2.094 7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.446 -3.761 7.712 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.095 -2.776 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.438 -4.514 6.100 1.00 0.00 H new ATOM 195 N LYS A 12 3.258 -5.847 2.840 1.00 0.00 N ATOM 196 CA LYS A 12 3.989 -5.868 1.586 1.00 0.00 C ATOM 197 C LYS A 12 3.087 -6.430 0.485 1.00 0.00 C ATOM 198 O LYS A 12 3.222 -5.994 -0.668 1.00 0.00 O ATOM 199 CB LYS A 12 5.308 -6.625 1.747 1.00 0.00 C ATOM 200 CG LYS A 12 5.725 -7.286 0.430 1.00 0.00 C ATOM 201 CD LYS A 12 5.003 -8.619 0.233 1.00 0.00 C ATOM 202 CE LYS A 12 5.967 -9.795 0.401 1.00 0.00 C ATOM 203 NZ LYS A 12 6.761 -9.989 -0.824 1.00 0.00 N ATOM 0 H LYS A 12 3.515 -6.593 3.487 1.00 0.00 H new ATOM 0 HA LYS A 12 4.264 -4.856 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.088 -5.938 2.076 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.204 -7.384 2.522 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.500 -6.620 -0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.803 -7.448 0.426 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.189 -8.706 0.953 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.555 -8.651 -0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.630 -9.611 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.407 -10.703 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.649 -10.477 -0.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.219 -10.563 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.977 -9.064 -1.248 1.00 0.00 H new ATOM 217 N LEU A 13 2.201 -7.372 0.855 1.00 0.00 N ATOM 218 CA LEU A 13 1.288 -7.986 -0.094 1.00 0.00 C ATOM 219 C LEU A 13 0.189 -6.986 -0.457 1.00 0.00 C ATOM 220 O LEU A 13 -0.178 -6.916 -1.640 1.00 0.00 O ATOM 221 CB LEU A 13 0.756 -9.311 0.455 1.00 0.00 C ATOM 222 CG LEU A 13 0.483 -10.405 -0.580 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.208 -11.609 0.063 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.312 -9.852 -1.764 1.00 0.00 C ATOM 0 H LEU A 13 2.107 -7.718 1.810 1.00 0.00 H new ATOM 0 HA LEU A 13 1.810 -8.237 -1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.474 -9.695 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.169 -9.112 0.997 1.00 0.00 H new ATOM 0 HG LEU A 13 1.440 -10.754 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.390 -12.371 -0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.430 -12.020 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.157 -11.295 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.493 -10.649 -2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.265 -9.459 -1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.255 -9.053 -2.241 1.00 0.00 H new ATOM 236 N ASP A 14 -0.307 -6.243 0.549 1.00 0.00 N ATOM 237 CA ASP A 14 -1.353 -5.258 0.336 1.00 0.00 C ATOM 238 C ASP A 14 -0.794 -4.097 -0.489 1.00 0.00 C ATOM 239 O ASP A 14 -1.548 -3.527 -1.292 1.00 0.00 O ATOM 240 CB ASP A 14 -1.857 -4.693 1.666 1.00 0.00 C ATOM 241 CG ASP A 14 -3.367 -4.464 1.740 1.00 0.00 C ATOM 242 OD1 ASP A 14 -4.145 -5.399 1.978 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.744 -3.246 1.539 1.00 0.00 O ATOM 0 H ASP A 14 0.009 -6.315 1.516 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.177 -5.748 -0.183 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.568 -5.375 2.466 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.351 -3.746 1.856 1.00 0.00 H new ATOM 248 N ASN A 15 0.495 -3.776 -0.280 1.00 0.00 N ATOM 249 CA ASN A 15 1.145 -2.693 -1.000 1.00 0.00 C ATOM 250 C ASN A 15 1.207 -3.042 -2.488 1.00 0.00 C ATOM 251 O ASN A 15 0.853 -2.184 -3.310 1.00 0.00 O ATOM 252 CB ASN A 15 2.576 -2.483 -0.502 1.00 0.00 C ATOM 253 CG ASN A 15 3.022 -1.035 -0.711 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.510 -0.652 -1.760 1.00 0.00 O ATOM 255 ND2 ASN A 15 2.827 -0.252 0.347 1.00 0.00 N ATOM 0 H ASN A 15 1.099 -4.259 0.385 1.00 0.00 H new ATOM 0 HA ASN A 15 0.569 -1.783 -0.834 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.638 -2.737 0.556 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.251 -3.155 -1.031 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.091 0.732 0.309 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.413 -0.636 1.196 1.00 0.00 H new ATOM 262 N TYR A 16 1.651 -4.273 -2.800 1.00 0.00 N ATOM 263 CA TYR A 16 1.739 -4.664 -4.197 1.00 0.00 C ATOM 264 C TYR A 16 0.358 -4.539 -4.845 1.00 0.00 C ATOM 265 O TYR A 16 0.301 -4.160 -6.024 1.00 0.00 O ATOM 266 CB TYR A 16 2.297 -6.094 -4.312 1.00 0.00 C ATOM 267 CG TYR A 16 3.694 -6.274 -3.736 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.548 -5.159 -3.564 1.00 0.00 C ATOM 269 CD2 TYR A 16 4.150 -7.563 -3.375 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.843 -5.331 -3.033 1.00 0.00 C ATOM 271 CE2 TYR A 16 5.446 -7.736 -2.843 1.00 0.00 C ATOM 272 CZ TYR A 16 6.294 -6.620 -2.671 1.00 0.00 C ATOM 273 OH TYR A 16 7.546 -6.791 -2.156 1.00 0.00 O ATOM 0 H TYR A 16 1.941 -4.981 -2.126 1.00 0.00 H new ATOM 0 HA TYR A 16 2.425 -4.003 -4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.617 -6.778 -3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.311 -6.382 -5.363 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.207 -4.172 -3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.504 -8.418 -3.507 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.491 -4.477 -2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.789 -8.722 -2.567 1.00 0.00 H new ATOM 0 HH TYR A 16 7.812 -5.984 -1.668 1.00 0.00 H new ATOM 283 N HIS A 17 -0.704 -4.858 -4.085 1.00 0.00 N ATOM 284 CA HIS A 17 -2.064 -4.787 -4.594 1.00 0.00 C ATOM 285 C HIS A 17 -2.473 -3.320 -4.740 1.00 0.00 C ATOM 286 O HIS A 17 -3.188 -3.002 -5.701 1.00 0.00 O ATOM 287 CB HIS A 17 -3.022 -5.584 -3.706 1.00 0.00 C ATOM 288 CG HIS A 17 -4.103 -4.748 -3.063 1.00 0.00 C ATOM 289 ND1 HIS A 17 -5.156 -4.206 -3.779 1.00 0.00 N ATOM 290 CD2 HIS A 17 -4.283 -4.368 -1.766 1.00 0.00 C ATOM 291 CE1 HIS A 17 -5.928 -3.531 -2.940 1.00 0.00 C ATOM 292 NE2 HIS A 17 -5.385 -3.633 -1.693 1.00 0.00 N ATOM 0 H HIS A 17 -0.635 -5.167 -3.115 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.114 -5.247 -5.581 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.489 -6.366 -4.304 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.448 -6.081 -2.924 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.638 -4.622 -0.938 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -6.829 -2.994 -3.198 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.764 -3.213 -0.844 1.00 0.00 H new ATOM 300 N LEU A 18 -2.020 -2.471 -3.800 1.00 0.00 N ATOM 301 CA LEU A 18 -2.337 -1.054 -3.826 1.00 0.00 C ATOM 302 C LEU A 18 -1.488 -0.366 -4.897 1.00 0.00 C ATOM 303 O LEU A 18 -1.899 0.699 -5.380 1.00 0.00 O ATOM 304 CB LEU A 18 -2.181 -0.445 -2.432 1.00 0.00 C ATOM 305 CG LEU A 18 -3.224 -0.868 -1.394 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.878 -0.310 -0.012 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.632 -0.467 -1.839 1.00 0.00 C ATOM 0 H LEU A 18 -1.432 -2.754 -3.016 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.381 -0.902 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.193 -0.705 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.211 0.641 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.209 -1.955 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.634 -0.625 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.903 -0.686 0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.850 0.779 -0.056 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.355 -0.779 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.680 0.615 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.866 -0.951 -2.787 1.00 0.00 H new ATOM 319 N GLU A 19 -0.340 -0.975 -5.239 1.00 0.00 N ATOM 320 CA GLU A 19 0.556 -0.424 -6.242 1.00 0.00 C ATOM 321 C GLU A 19 0.032 -0.778 -7.636 1.00 0.00 C ATOM 322 O GLU A 19 -0.081 0.132 -8.471 1.00 0.00 O ATOM 323 CB GLU A 19 1.989 -0.925 -6.052 1.00 0.00 C ATOM 324 CG GLU A 19 2.996 0.213 -6.232 1.00 0.00 C ATOM 325 CD GLU A 19 2.814 1.282 -5.152 1.00 0.00 C ATOM 326 OE1 GLU A 19 1.991 0.969 -4.209 1.00 0.00 O ATOM 327 OE2 GLU A 19 3.436 2.352 -5.228 1.00 0.00 O ATOM 0 H GLU A 19 -0.019 -1.852 -4.828 1.00 0.00 H new ATOM 0 HA GLU A 19 0.582 0.660 -6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.098 -1.358 -5.058 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.199 -1.718 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.010 -0.184 -6.189 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.871 0.662 -7.218 1.00 0.00 H new ATOM 334 N ASN A 20 -0.270 -2.070 -7.856 1.00 0.00 N ATOM 335 CA ASN A 20 -0.776 -2.534 -9.136 1.00 0.00 C ATOM 336 C ASN A 20 -2.205 -2.025 -9.331 1.00 0.00 C ATOM 337 O ASN A 20 -2.653 -1.948 -10.484 1.00 0.00 O ATOM 338 CB ASN A 20 -0.808 -4.063 -9.193 1.00 0.00 C ATOM 339 CG ASN A 20 -1.755 -4.632 -8.134 1.00 0.00 C ATOM 340 OD1 ASN A 20 -2.789 -4.066 -7.820 1.00 0.00 O ATOM 341 ND2 ASN A 20 -1.345 -5.780 -7.603 1.00 0.00 N ATOM 0 H ASN A 20 -0.168 -2.804 -7.155 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.115 -2.156 -9.916 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.128 -4.387 -10.183 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.196 -4.457 -9.037 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.907 -6.240 -6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.468 -6.200 -7.912 1.00 0.00 H new ATOM 348 N GLU A 21 -2.883 -1.692 -8.217 1.00 0.00 N ATOM 349 CA GLU A 21 -4.248 -1.195 -8.266 1.00 0.00 C ATOM 350 C GLU A 21 -4.230 0.296 -8.610 1.00 0.00 C ATOM 351 O GLU A 21 -5.118 0.741 -9.352 1.00 0.00 O ATOM 352 CB GLU A 21 -4.984 -1.445 -6.947 1.00 0.00 C ATOM 353 CG GLU A 21 -6.427 -0.943 -7.023 1.00 0.00 C ATOM 354 CD GLU A 21 -7.018 -0.762 -5.623 1.00 0.00 C ATOM 355 OE1 GLU A 21 -6.151 -0.588 -4.683 1.00 0.00 O ATOM 356 OE2 GLU A 21 -8.247 -0.788 -5.459 1.00 0.00 O ATOM 0 H GLU A 21 -2.497 -1.763 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.791 -1.737 -9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.977 -2.511 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.462 -0.941 -6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.458 0.005 -7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.033 -1.651 -7.589 1.00 0.00 H new ATOM 363 N VAL A 22 -3.237 1.027 -8.073 1.00 0.00 N ATOM 364 CA VAL A 22 -3.108 2.453 -8.322 1.00 0.00 C ATOM 365 C VAL A 22 -2.466 2.671 -9.693 1.00 0.00 C ATOM 366 O VAL A 22 -2.917 3.568 -10.419 1.00 0.00 O ATOM 367 CB VAL A 22 -2.327 3.114 -7.185 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.691 4.427 -7.647 1.00 0.00 C ATOM 369 CG2 VAL A 22 -3.222 3.339 -5.963 1.00 0.00 C ATOM 0 H VAL A 22 -2.516 0.642 -7.463 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.089 2.927 -8.343 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.524 2.437 -6.893 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.142 4.876 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.007 4.229 -8.472 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.471 5.112 -7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.642 3.810 -5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.055 3.986 -6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.606 2.381 -5.612 1.00 0.00 H new ATOM 379 N ALA A 23 -1.444 1.859 -10.016 1.00 0.00 N ATOM 380 CA ALA A 23 -0.749 1.963 -11.288 1.00 0.00 C ATOM 381 C ALA A 23 -1.730 1.664 -12.425 1.00 0.00 C ATOM 382 O ALA A 23 -1.437 2.040 -13.569 1.00 0.00 O ATOM 383 CB ALA A 23 0.340 0.892 -11.369 1.00 0.00 C ATOM 0 H ALA A 23 -1.088 1.125 -9.404 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.327 2.965 -11.371 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.859 0.973 -12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.052 1.035 -10.556 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.114 -0.095 -11.285 1.00 0.00 H new ATOM 389 N ARG A 24 -2.854 1.005 -12.093 1.00 0.00 N ATOM 390 CA ARG A 24 -3.864 0.661 -13.079 1.00 0.00 C ATOM 391 C ARG A 24 -4.965 1.723 -13.066 1.00 0.00 C ATOM 392 O ARG A 24 -5.785 1.733 -13.996 1.00 0.00 O ATOM 393 CB ARG A 24 -4.483 -0.709 -12.797 1.00 0.00 C ATOM 394 CG ARG A 24 -3.707 -1.819 -13.509 1.00 0.00 C ATOM 395 CD ARG A 24 -4.151 -3.199 -13.018 1.00 0.00 C ATOM 396 NE ARG A 24 -4.629 -4.011 -14.159 1.00 0.00 N ATOM 397 CZ ARG A 24 -3.956 -5.061 -14.675 1.00 0.00 C ATOM 398 NH1 ARG A 24 -2.778 -5.407 -14.137 1.00 0.00 N ATOM 399 NH2 ARG A 24 -4.457 -5.748 -15.711 1.00 0.00 N ATOM 0 H ARG A 24 -3.076 0.704 -11.144 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.383 0.621 -14.056 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.488 -0.895 -11.723 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.522 -0.717 -13.127 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.863 -1.744 -14.585 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.639 -1.692 -13.332 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.320 -3.703 -12.524 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.945 -3.093 -12.278 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.523 -3.762 -14.582 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.403 -4.879 -13.349 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.257 -6.198 -14.516 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.354 -5.479 -16.116 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.942 -6.540 -16.095 1.00 0.00 H new ATOM 413 N LEU A 25 -4.961 2.582 -12.031 1.00 0.00 N ATOM 414 CA LEU A 25 -5.953 3.636 -11.902 1.00 0.00 C ATOM 415 C LEU A 25 -5.336 4.967 -12.338 1.00 0.00 C ATOM 416 O LEU A 25 -6.057 5.787 -12.925 1.00 0.00 O ATOM 417 CB LEU A 25 -6.528 3.660 -10.485 1.00 0.00 C ATOM 418 CG LEU A 25 -7.578 2.593 -10.168 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.901 2.569 -8.672 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.832 2.787 -11.022 1.00 0.00 C ATOM 0 H LEU A 25 -4.275 2.557 -11.276 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.800 3.445 -12.561 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.705 3.552 -9.779 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.971 4.640 -10.311 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.162 1.618 -10.423 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.650 1.802 -8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.995 2.346 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.288 3.541 -8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.562 2.016 -10.777 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.260 3.769 -10.821 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.568 2.715 -12.077 1.00 0.00 H new ATOM 432 N LYS A 26 -4.036 5.152 -12.047 1.00 0.00 N ATOM 433 CA LYS A 26 -3.332 6.371 -12.406 1.00 0.00 C ATOM 434 C LYS A 26 -3.373 6.550 -13.925 1.00 0.00 C ATOM 435 O LYS A 26 -3.261 7.695 -14.387 1.00 0.00 O ATOM 436 CB LYS A 26 -1.915 6.363 -11.826 1.00 0.00 C ATOM 437 CG LYS A 26 -1.933 5.991 -10.343 1.00 0.00 C ATOM 438 CD LYS A 26 -1.402 7.140 -9.483 1.00 0.00 C ATOM 439 CE LYS A 26 -1.868 8.492 -10.027 1.00 0.00 C ATOM 440 NZ LYS A 26 -2.068 9.450 -8.927 1.00 0.00 N ATOM 0 H LYS A 26 -3.460 4.463 -11.562 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.826 7.239 -11.968 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.297 5.653 -12.375 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.461 7.346 -11.953 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.950 5.744 -10.039 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.327 5.100 -10.180 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.746 7.019 -8.456 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.313 7.109 -9.460 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.130 8.883 -10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.798 8.366 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.384 10.362 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.789 9.083 -8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.172 9.583 -8.415 1.00 0.00 H new ATOM 454 N LYS A 27 -3.531 5.434 -14.659 1.00 0.00 N ATOM 455 CA LYS A 27 -3.586 5.468 -16.111 1.00 0.00 C ATOM 456 C LYS A 27 -4.961 5.975 -16.553 1.00 0.00 C ATOM 457 O LYS A 27 -5.116 6.298 -17.739 1.00 0.00 O ATOM 458 CB LYS A 27 -3.217 4.103 -16.694 1.00 0.00 C ATOM 459 CG LYS A 27 -2.272 4.253 -17.887 1.00 0.00 C ATOM 460 CD LYS A 27 -0.810 4.182 -17.440 1.00 0.00 C ATOM 461 CE LYS A 27 -0.425 2.754 -17.049 1.00 0.00 C ATOM 462 NZ LYS A 27 -0.086 1.965 -18.246 1.00 0.00 N ATOM 0 H LYS A 27 -3.622 4.500 -14.258 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.847 6.166 -16.504 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.744 3.491 -15.926 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.121 3.580 -17.006 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.472 3.467 -18.615 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.458 5.204 -18.386 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.163 4.529 -18.245 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.652 4.850 -16.593 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.425 2.774 -16.367 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.250 2.281 -16.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.173 0.998 -17.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.907 1.931 -18.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.716 2.408 -18.738 1.00 0.00 H new ATOM 476 N LEU A 28 -5.915 6.032 -15.606 1.00 0.00 N ATOM 477 CA LEU A 28 -7.261 6.495 -15.896 1.00 0.00 C ATOM 478 C LEU A 28 -7.439 7.912 -15.347 1.00 0.00 C ATOM 479 O LEU A 28 -8.180 8.694 -15.960 1.00 0.00 O ATOM 480 CB LEU A 28 -8.295 5.497 -15.371 1.00 0.00 C ATOM 481 CG LEU A 28 -9.393 5.088 -16.355 1.00 0.00 C ATOM 482 CD1 LEU A 28 -8.945 3.906 -17.217 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.705 4.799 -15.624 1.00 0.00 C ATOM 0 H LEU A 28 -5.766 5.760 -14.634 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.422 6.549 -16.973 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.771 4.598 -15.048 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.768 5.925 -14.487 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.577 5.926 -17.028 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.744 3.636 -17.907 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.056 4.184 -17.782 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.716 3.055 -16.576 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.468 4.511 -16.347 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.554 3.987 -14.912 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.029 5.693 -15.091 1.00 0.00 H new ATOM 495 N VAL A 29 -6.767 8.209 -14.219 1.00 0.00 N ATOM 496 CA VAL A 29 -6.850 9.518 -13.596 1.00 0.00 C ATOM 497 C VAL A 29 -5.515 10.246 -13.766 1.00 0.00 C ATOM 498 O VAL A 29 -5.503 11.320 -14.385 1.00 0.00 O ATOM 499 CB VAL A 29 -7.271 9.375 -12.131 1.00 0.00 C ATOM 500 CG1 VAL A 29 -7.670 10.729 -11.541 1.00 0.00 C ATOM 501 CG2 VAL A 29 -8.402 8.356 -11.984 1.00 0.00 C ATOM 0 H VAL A 29 -6.162 7.550 -13.729 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.614 10.124 -14.083 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.413 9.006 -11.569 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.965 10.599 -10.500 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.824 11.414 -11.596 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.506 11.140 -12.106 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.683 8.273 -10.934 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.264 8.683 -12.565 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.066 7.385 -12.348 1.00 0.00 H new ATOM 511 N GLY A 30 -4.434 9.656 -13.222 1.00 0.00 N ATOM 512 CA GLY A 30 -3.109 10.243 -13.314 1.00 0.00 C ATOM 513 C GLY A 30 -2.687 10.314 -14.783 1.00 0.00 C ATOM 514 O GLY A 30 -1.548 10.721 -15.051 1.00 0.00 O ATOM 0 H GLY A 30 -4.466 8.771 -12.716 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.110 11.241 -12.876 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.394 9.646 -12.747 1.00 0.00 H new ATOM 518 N GLU A 31 -3.599 9.921 -15.692 1.00 0.00 N ATOM 519 CA GLU A 31 -3.323 9.941 -17.118 1.00 0.00 C ATOM 520 C GLU A 31 -2.597 11.240 -17.475 1.00 0.00 C ATOM 521 O GLU A 31 -2.733 12.217 -16.724 1.00 0.00 O ATOM 522 CB GLU A 31 -4.603 9.785 -17.940 1.00 0.00 C ATOM 523 CG GLU A 31 -5.831 10.213 -17.132 1.00 0.00 C ATOM 524 CD GLU A 31 -7.103 10.120 -17.976 1.00 0.00 C ATOM 525 OE1 GLU A 31 -7.381 8.940 -18.415 1.00 0.00 O ATOM 526 OE2 GLU A 31 -7.779 11.137 -18.192 1.00 0.00 O ATOM 0 H GLU A 31 -4.532 9.587 -15.451 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.683 9.093 -17.362 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.532 10.386 -18.847 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.714 8.747 -18.254 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.929 9.580 -16.250 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.699 11.235 -16.778 1.00 0.00 H new ATOM 533 N ARG A 32 -1.854 11.226 -18.595 1.00 0.00 N ATOM 534 CA ARG A 32 -1.116 12.394 -19.044 1.00 0.00 C ATOM 535 C ARG A 32 -1.681 12.865 -20.386 1.00 0.00 C ATOM 536 O ARG A 32 -1.595 14.045 -20.719 1.00 0.00 O ATOM 537 CB ARG A 32 0.375 12.091 -19.205 1.00 0.00 C ATOM 538 CG ARG A 32 0.612 10.594 -19.416 1.00 0.00 C ATOM 539 CD ARG A 32 2.012 10.189 -18.952 1.00 0.00 C ATOM 540 NE ARG A 32 2.960 11.304 -19.169 1.00 0.00 N ATOM 541 CZ ARG A 32 4.269 11.140 -19.454 1.00 0.00 C ATOM 542 NH1 ARG A 32 4.762 9.898 -19.551 1.00 0.00 N ATOM 543 NH2 ARG A 32 5.063 12.204 -19.638 1.00 0.00 N ATOM 0 H ARG A 32 -1.756 10.411 -19.200 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.225 13.173 -18.289 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.773 12.649 -20.053 1.00 0.00 H new ATOM 0 HB3 ARG A 32 0.915 12.427 -18.320 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.136 10.023 -18.866 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.489 10.348 -20.471 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.990 9.920 -17.896 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.344 9.307 -19.499 1.00 0.00 H new ATOM 0 HE ARG A 32 2.602 12.256 -19.099 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.150 9.094 -19.410 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.749 9.756 -19.766 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.679 13.146 -19.563 1.00 0.00 H new ATOM 0 HH22 ARG A 32 6.051 12.072 -19.853 1.00 0.00 H new TER 557 ARG A 32 ATOM 558 N MET B 1 16.067 -7.208 12.657 1.00 0.00 N ATOM 559 CA MET B 1 14.827 -6.923 13.357 1.00 0.00 C ATOM 560 C MET B 1 14.697 -5.412 13.562 1.00 0.00 C ATOM 561 O MET B 1 13.582 -4.891 13.415 1.00 0.00 O ATOM 562 CB MET B 1 14.807 -7.626 14.716 1.00 0.00 C ATOM 563 CG MET B 1 13.393 -8.083 15.078 1.00 0.00 C ATOM 564 SD MET B 1 13.157 -8.010 16.878 1.00 0.00 S ATOM 565 CE MET B 1 11.360 -7.755 16.951 1.00 0.00 C ATOM 0 H1 MET B 1 16.058 -8.193 12.322 1.00 0.00 H new ATOM 0 H2 MET B 1 16.162 -6.567 11.844 1.00 0.00 H new ATOM 0 H3 MET B 1 16.870 -7.069 13.303 1.00 0.00 H new ATOM 0 HA MET B 1 13.992 -7.289 12.760 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.476 -8.486 14.694 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.182 -6.950 15.484 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.659 -7.449 14.581 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.229 -9.100 14.723 1.00 0.00 H new ATOM 0 HE1 MET B 1 11.150 -6.726 17.244 1.00 0.00 H new ATOM 0 HE2 MET B 1 10.925 -7.949 15.971 1.00 0.00 H new ATOM 0 HE3 MET B 1 10.925 -8.437 17.682 1.00 0.00 H new ATOM 575 N ASP B 2 15.821 -4.751 13.892 1.00 0.00 N ATOM 576 CA ASP B 2 15.832 -3.315 14.114 1.00 0.00 C ATOM 577 C ASP B 2 15.180 -2.614 12.921 1.00 0.00 C ATOM 578 O ASP B 2 14.499 -1.599 13.133 1.00 0.00 O ATOM 579 CB ASP B 2 17.263 -2.790 14.248 1.00 0.00 C ATOM 580 CG ASP B 2 18.250 -3.760 14.900 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.665 -4.755 14.289 1.00 0.00 O ATOM 582 OD2 ASP B 2 18.597 -3.456 16.104 1.00 0.00 O ATOM 0 H ASP B 2 16.729 -5.200 14.008 1.00 0.00 H new ATOM 0 HA ASP B 2 15.286 -3.111 15.035 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.633 -2.531 13.256 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.243 -1.869 14.831 1.00 0.00 H new ATOM 587 N ALA B 3 15.398 -3.157 11.710 1.00 0.00 N ATOM 588 CA ALA B 3 14.836 -2.588 10.498 1.00 0.00 C ATOM 589 C ALA B 3 13.459 -3.203 10.241 1.00 0.00 C ATOM 590 O ALA B 3 12.693 -2.628 9.454 1.00 0.00 O ATOM 591 CB ALA B 3 15.706 -2.969 9.299 1.00 0.00 C ATOM 0 H ALA B 3 15.963 -3.992 11.557 1.00 0.00 H new ATOM 0 HA ALA B 3 14.778 -1.506 10.620 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.282 -2.541 8.391 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.715 -2.584 9.445 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.742 -4.054 9.206 1.00 0.00 H new ATOM 597 N ILE B 4 13.176 -4.342 10.899 1.00 0.00 N ATOM 598 CA ILE B 4 11.904 -5.027 10.743 1.00 0.00 C ATOM 599 C ILE B 4 10.817 -4.250 11.489 1.00 0.00 C ATOM 600 O ILE B 4 9.743 -4.033 10.910 1.00 0.00 O ATOM 601 CB ILE B 4 12.024 -6.488 11.177 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.016 -7.244 10.289 1.00 0.00 C ATOM 603 CG2 ILE B 4 10.653 -7.165 11.211 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.416 -8.565 9.800 1.00 0.00 C ATOM 0 H ILE B 4 13.821 -4.799 11.543 1.00 0.00 H new ATOM 0 HA ILE B 4 11.613 -5.055 9.693 1.00 0.00 H new ATOM 0 HB ILE B 4 12.419 -6.511 12.193 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.289 -6.626 9.434 1.00 0.00 H new ATOM 0 HG13 ILE B 4 13.932 -7.440 10.846 1.00 0.00 H new ATOM 0 HG21 ILE B 4 10.767 -8.203 11.523 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.007 -6.643 11.917 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.206 -7.132 10.217 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.140 -9.083 9.171 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.166 -9.191 10.657 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.513 -8.363 9.223 1.00 0.00 H new ATOM 616 N LYS B 5 11.112 -3.854 12.741 1.00 0.00 N ATOM 617 CA LYS B 5 10.168 -3.110 13.556 1.00 0.00 C ATOM 618 C LYS B 5 9.735 -1.848 12.806 1.00 0.00 C ATOM 619 O LYS B 5 8.583 -1.425 12.978 1.00 0.00 O ATOM 620 CB LYS B 5 10.757 -2.832 14.940 1.00 0.00 C ATOM 621 CG LYS B 5 12.286 -2.797 14.888 1.00 0.00 C ATOM 622 CD LYS B 5 12.848 -1.816 15.919 1.00 0.00 C ATOM 623 CE LYS B 5 13.136 -2.522 17.246 1.00 0.00 C ATOM 624 NZ LYS B 5 13.104 -1.559 18.360 1.00 0.00 N ATOM 0 H LYS B 5 12.003 -4.044 13.200 1.00 0.00 H new ATOM 0 HA LYS B 5 9.269 -3.701 13.731 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.380 -1.880 15.315 1.00 0.00 H new ATOM 0 HB3 LYS B 5 10.431 -3.602 15.639 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.683 -3.795 15.076 1.00 0.00 H new ATOM 0 HG3 LYS B 5 12.613 -2.507 13.889 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.764 -1.365 15.536 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.137 -1.006 16.081 1.00 0.00 H new ATOM 0 HE2 LYS B 5 12.399 -3.307 17.415 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.112 -3.005 17.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.301 -2.054 19.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 13.824 -0.825 18.205 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 12.164 -1.117 18.410 1.00 0.00 H new ATOM 638 N LYS B 6 10.653 -1.282 12.002 1.00 0.00 N ATOM 639 CA LYS B 6 10.368 -0.081 11.235 1.00 0.00 C ATOM 640 C LYS B 6 9.791 -0.476 9.874 1.00 0.00 C ATOM 641 O LYS B 6 8.996 0.301 9.324 1.00 0.00 O ATOM 642 CB LYS B 6 11.614 0.803 11.142 1.00 0.00 C ATOM 643 CG LYS B 6 12.402 0.779 12.453 1.00 0.00 C ATOM 644 CD LYS B 6 13.575 1.760 12.405 1.00 0.00 C ATOM 645 CE LYS B 6 13.781 2.436 13.762 1.00 0.00 C ATOM 646 NZ LYS B 6 12.552 3.128 14.185 1.00 0.00 N ATOM 0 H LYS B 6 11.597 -1.647 11.874 1.00 0.00 H new ATOM 0 HA LYS B 6 9.613 0.523 11.739 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.249 0.458 10.326 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.321 1.827 10.908 1.00 0.00 H new ATOM 0 HG2 LYS B 6 11.743 1.035 13.283 1.00 0.00 H new ATOM 0 HG3 LYS B 6 12.773 -0.229 12.640 1.00 0.00 H new ATOM 0 HD2 LYS B 6 14.484 1.232 12.116 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.390 2.516 11.642 1.00 0.00 H new ATOM 0 HE2 LYS B 6 14.061 1.691 14.507 1.00 0.00 H new ATOM 0 HE3 LYS B 6 14.603 3.149 13.699 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 12.802 3.997 14.699 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 11.986 3.372 13.348 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 11.999 2.504 14.807 1.00 0.00 H new ATOM 660 N LYS B 7 10.195 -1.654 9.366 1.00 0.00 N ATOM 661 CA LYS B 7 9.720 -2.142 8.083 1.00 0.00 C ATOM 662 C LYS B 7 8.192 -2.202 8.098 1.00 0.00 C ATOM 663 O LYS B 7 7.572 -1.690 7.154 1.00 0.00 O ATOM 664 CB LYS B 7 10.386 -3.477 7.739 1.00 0.00 C ATOM 665 CG LYS B 7 9.872 -4.017 6.404 1.00 0.00 C ATOM 666 CD LYS B 7 9.863 -2.921 5.335 1.00 0.00 C ATOM 667 CE LYS B 7 10.148 -3.503 3.950 1.00 0.00 C ATOM 668 NZ LYS B 7 9.469 -4.798 3.785 1.00 0.00 N ATOM 0 H LYS B 7 10.851 -2.278 9.835 1.00 0.00 H new ATOM 0 HA LYS B 7 10.003 -1.455 7.285 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.467 -3.347 7.691 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.187 -4.201 8.529 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.501 -4.844 6.076 1.00 0.00 H new ATOM 0 HG3 LYS B 7 8.865 -4.414 6.532 1.00 0.00 H new ATOM 0 HD2 LYS B 7 8.895 -2.420 5.331 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.611 -2.166 5.577 1.00 0.00 H new ATOM 0 HE2 LYS B 7 9.811 -2.808 3.181 1.00 0.00 H new ATOM 0 HE3 LYS B 7 11.222 -3.629 3.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 10.178 -5.558 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 8.838 -4.965 4.595 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 8.911 -4.788 2.907 1.00 0.00 H new ATOM 682 N MET B 8 7.623 -2.818 9.151 1.00 0.00 N ATOM 683 CA MET B 8 6.182 -2.942 9.284 1.00 0.00 C ATOM 684 C MET B 8 5.564 -1.548 9.410 1.00 0.00 C ATOM 685 O MET B 8 4.386 -1.392 9.058 1.00 0.00 O ATOM 686 CB MET B 8 5.831 -3.770 10.521 1.00 0.00 C ATOM 687 CG MET B 8 6.507 -3.203 11.770 1.00 0.00 C ATOM 688 SD MET B 8 5.336 -3.188 13.159 1.00 0.00 S ATOM 689 CE MET B 8 5.736 -4.786 13.927 1.00 0.00 C ATOM 0 H MET B 8 8.152 -3.235 9.917 1.00 0.00 H new ATOM 0 HA MET B 8 5.786 -3.444 8.401 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.750 -3.781 10.661 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.143 -4.804 10.372 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.379 -3.804 12.026 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.863 -2.192 11.573 1.00 0.00 H new ATOM 0 HE1 MET B 8 4.878 -5.139 14.500 1.00 0.00 H new ATOM 0 HE2 MET B 8 5.978 -5.512 13.151 1.00 0.00 H new ATOM 0 HE3 MET B 8 6.592 -4.666 14.592 1.00 0.00 H new ATOM 699 N GLN B 9 6.357 -0.579 9.901 1.00 0.00 N ATOM 700 CA GLN B 9 5.891 0.786 10.070 1.00 0.00 C ATOM 701 C GLN B 9 5.962 1.515 8.727 1.00 0.00 C ATOM 702 O GLN B 9 5.218 2.490 8.546 1.00 0.00 O ATOM 703 CB GLN B 9 6.698 1.527 11.140 1.00 0.00 C ATOM 704 CG GLN B 9 6.384 0.986 12.536 1.00 0.00 C ATOM 705 CD GLN B 9 6.804 1.984 13.617 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.184 3.014 13.821 1.00 0.00 O ATOM 707 NE2 GLN B 9 7.888 1.621 14.297 1.00 0.00 N ATOM 0 H GLN B 9 7.325 -0.729 10.185 1.00 0.00 H new ATOM 0 HA GLN B 9 4.856 0.762 10.412 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.763 1.420 10.936 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.471 2.592 11.099 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.317 0.782 12.619 1.00 0.00 H new ATOM 0 HG3 GLN B 9 6.903 0.039 12.688 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.360 0.744 14.075 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.248 2.219 15.041 1.00 0.00 H new ATOM 716 N MET B 10 6.839 1.036 7.827 1.00 0.00 N ATOM 717 CA MET B 10 7.002 1.639 6.515 1.00 0.00 C ATOM 718 C MET B 10 5.885 1.151 5.592 1.00 0.00 C ATOM 719 O MET B 10 5.359 1.966 4.820 1.00 0.00 O ATOM 720 CB MET B 10 8.359 1.257 5.920 1.00 0.00 C ATOM 721 CG MET B 10 9.488 1.513 6.920 1.00 0.00 C ATOM 722 SD MET B 10 10.716 2.640 6.198 1.00 0.00 S ATOM 723 CE MET B 10 10.378 4.140 7.167 1.00 0.00 C ATOM 0 H MET B 10 7.442 0.231 7.996 1.00 0.00 H new ATOM 0 HA MET B 10 6.953 2.723 6.614 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.352 0.205 5.636 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.536 1.832 5.011 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.083 1.943 7.836 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.963 0.571 7.193 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.050 4.938 6.849 1.00 0.00 H new ATOM 0 HE2 MET B 10 9.345 4.451 7.008 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.536 3.933 8.225 1.00 0.00 H new ATOM 733 N LEU B 11 5.548 -0.149 5.688 1.00 0.00 N ATOM 734 CA LEU B 11 4.503 -0.735 4.867 1.00 0.00 C ATOM 735 C LEU B 11 3.136 -0.345 5.433 1.00 0.00 C ATOM 736 O LEU B 11 2.164 -0.320 4.665 1.00 0.00 O ATOM 737 CB LEU B 11 4.707 -2.247 4.740 1.00 0.00 C ATOM 738 CG LEU B 11 6.013 -2.694 4.080 1.00 0.00 C ATOM 739 CD1 LEU B 11 5.975 -4.186 3.746 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.327 -1.840 2.851 1.00 0.00 C ATOM 0 H LEU B 11 5.993 -0.804 6.331 1.00 0.00 H new ATOM 0 HA LEU B 11 4.551 -0.343 3.851 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.658 -2.685 5.737 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.875 -2.659 4.169 1.00 0.00 H new ATOM 0 HG LEU B 11 6.824 -2.543 4.792 1.00 0.00 H new ATOM 0 HD11 LEU B 11 6.915 -4.478 3.278 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.832 -4.760 4.661 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.151 -4.385 3.060 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.260 -2.179 2.401 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.519 -1.935 2.126 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.426 -0.796 3.149 1.00 0.00 H new ATOM 752 N LYS B 12 3.089 -0.051 6.745 1.00 0.00 N ATOM 753 CA LYS B 12 1.854 0.334 7.405 1.00 0.00 C ATOM 754 C LYS B 12 1.543 1.797 7.083 1.00 0.00 C ATOM 755 O LYS B 12 0.356 2.140 6.983 1.00 0.00 O ATOM 756 CB LYS B 12 1.929 0.035 8.903 1.00 0.00 C ATOM 757 CG LYS B 12 0.939 0.899 9.685 1.00 0.00 C ATOM 758 CD LYS B 12 1.574 2.230 10.093 1.00 0.00 C ATOM 759 CE LYS B 12 1.244 2.573 11.547 1.00 0.00 C ATOM 760 NZ LYS B 12 1.799 1.558 12.455 1.00 0.00 N ATOM 0 H LYS B 12 3.902 -0.076 7.361 1.00 0.00 H new ATOM 0 HA LYS B 12 1.021 -0.259 7.028 1.00 0.00 H new ATOM 0 HB2 LYS B 12 1.714 -1.019 9.078 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.941 0.218 9.264 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.054 1.086 9.076 1.00 0.00 H new ATOM 0 HG3 LYS B 12 0.607 0.363 10.574 1.00 0.00 H new ATOM 0 HD2 LYS B 12 2.655 2.175 9.965 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.215 3.024 9.438 1.00 0.00 H new ATOM 0 HE2 LYS B 12 1.650 3.553 11.797 1.00 0.00 H new ATOM 0 HE3 LYS B 12 0.163 2.633 11.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.030 1.998 13.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 1.098 0.803 12.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 2.661 1.153 12.038 1.00 0.00 H new ATOM 774 N LEU B 13 2.599 2.617 6.932 1.00 0.00 N ATOM 775 CA LEU B 13 2.440 4.029 6.626 1.00 0.00 C ATOM 776 C LEU B 13 2.053 4.186 5.154 1.00 0.00 C ATOM 777 O LEU B 13 1.119 4.950 4.869 1.00 0.00 O ATOM 778 CB LEU B 13 3.697 4.806 7.018 1.00 0.00 C ATOM 779 CG LEU B 13 3.542 6.325 7.124 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.859 7.035 6.806 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.395 6.822 6.241 1.00 0.00 C ATOM 0 H LEU B 13 3.569 2.314 7.019 1.00 0.00 H new ATOM 0 HA LEU B 13 1.631 4.459 7.216 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.048 4.429 7.978 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.476 4.590 6.287 1.00 0.00 H new ATOM 0 HG LEU B 13 3.285 6.571 8.154 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.720 8.113 6.889 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.626 6.713 7.511 1.00 0.00 H new ATOM 0 HD13 LEU B 13 5.171 6.786 5.792 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.306 7.904 6.335 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.597 6.563 5.202 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.463 6.353 6.557 1.00 0.00 H new ATOM 793 N ASP B 14 2.767 3.474 4.264 1.00 0.00 N ATOM 794 CA ASP B 14 2.499 3.534 2.837 1.00 0.00 C ATOM 795 C ASP B 14 1.071 3.056 2.570 1.00 0.00 C ATOM 796 O ASP B 14 0.471 3.511 1.585 1.00 0.00 O ATOM 797 CB ASP B 14 3.455 2.629 2.059 1.00 0.00 C ATOM 798 CG ASP B 14 3.996 3.225 0.757 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.204 4.498 0.785 1.00 0.00 O ATOM 800 OD2 ASP B 14 4.207 2.510 -0.233 1.00 0.00 O ATOM 0 H ASP B 14 3.534 2.852 4.520 1.00 0.00 H new ATOM 0 HA ASP B 14 2.634 4.565 2.511 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.298 2.377 2.703 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.941 1.696 1.828 1.00 0.00 H new ATOM 805 N ASN B 15 0.563 2.162 3.437 1.00 0.00 N ATOM 806 CA ASN B 15 -0.781 1.630 3.294 1.00 0.00 C ATOM 807 C ASN B 15 -1.796 2.754 3.510 1.00 0.00 C ATOM 808 O ASN B 15 -2.693 2.909 2.668 1.00 0.00 O ATOM 809 CB ASN B 15 -1.055 0.540 4.333 1.00 0.00 C ATOM 810 CG ASN B 15 -2.105 -0.450 3.825 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.297 -0.292 4.037 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.599 -1.475 3.147 1.00 0.00 N ATOM 0 H ASN B 15 1.074 1.799 4.242 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.871 1.206 2.294 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.130 0.010 4.561 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.399 0.996 5.262 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.218 -2.191 2.767 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.591 -1.546 3.006 1.00 0.00 H new ATOM 819 N TYR B 16 -1.638 3.504 4.615 1.00 0.00 N ATOM 820 CA TYR B 16 -2.573 4.586 4.881 1.00 0.00 C ATOM 821 C TYR B 16 -2.547 5.573 3.713 1.00 0.00 C ATOM 822 O TYR B 16 -3.618 6.094 3.368 1.00 0.00 O ATOM 823 CB TYR B 16 -2.226 5.268 6.216 1.00 0.00 C ATOM 824 CG TYR B 16 -2.072 4.314 7.393 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.787 3.094 7.412 1.00 0.00 C ATOM 826 CD2 TYR B 16 -1.210 4.635 8.467 1.00 0.00 C ATOM 827 CE1 TYR B 16 -2.646 2.205 8.498 1.00 0.00 C ATOM 828 CE2 TYR B 16 -1.068 3.746 9.553 1.00 0.00 C ATOM 829 CZ TYR B 16 -1.787 2.530 9.570 1.00 0.00 C ATOM 830 OH TYR B 16 -1.652 1.667 10.620 1.00 0.00 O ATOM 0 H TYR B 16 -0.899 3.381 5.307 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.585 4.192 4.971 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.298 5.826 6.094 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.005 5.993 6.452 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.443 2.842 6.592 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.659 5.564 8.456 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -3.195 1.275 8.509 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -0.409 3.995 10.372 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.787 0.748 10.308 1.00 0.00 H new ATOM 840 N HIS B 17 -1.352 5.814 3.143 1.00 0.00 N ATOM 841 CA HIS B 17 -1.203 6.740 2.033 1.00 0.00 C ATOM 842 C HIS B 17 -1.810 6.121 0.772 1.00 0.00 C ATOM 843 O HIS B 17 -2.465 6.851 0.014 1.00 0.00 O ATOM 844 CB HIS B 17 0.263 7.140 1.849 1.00 0.00 C ATOM 845 CG HIS B 17 0.734 7.103 0.415 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.719 8.215 -0.409 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.237 6.078 -0.331 1.00 0.00 C ATOM 848 CE1 HIS B 17 1.191 7.862 -1.596 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.511 6.537 -1.545 1.00 0.00 N ATOM 0 H HIS B 17 -0.482 5.374 3.442 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.745 7.662 2.246 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.406 8.147 2.242 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.888 6.474 2.443 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.387 5.064 0.009 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.303 8.510 -2.453 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.897 5.989 -2.314 1.00 0.00 H new ATOM 857 N LEU B 18 -1.586 4.810 0.576 1.00 0.00 N ATOM 858 CA LEU B 18 -2.108 4.103 -0.580 1.00 0.00 C ATOM 859 C LEU B 18 -3.637 4.095 -0.521 1.00 0.00 C ATOM 860 O LEU B 18 -4.269 4.308 -1.566 1.00 0.00 O ATOM 861 CB LEU B 18 -1.489 2.708 -0.682 1.00 0.00 C ATOM 862 CG LEU B 18 -0.032 2.652 -1.147 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.638 1.355 -0.691 1.00 0.00 C ATOM 864 CD2 LEU B 18 0.068 2.849 -2.660 1.00 0.00 C ATOM 0 H LEU B 18 -1.043 4.227 1.213 1.00 0.00 H new ATOM 0 HA LEU B 18 -1.827 4.618 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.556 2.230 0.295 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.092 2.114 -1.369 1.00 0.00 H new ATOM 0 HG LEU B 18 0.509 3.475 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.672 1.340 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.616 1.297 0.397 1.00 0.00 H new ATOM 0 HD13 LEU B 18 0.104 0.503 -1.111 1.00 0.00 H new ATOM 0 HD21 LEU B 18 1.114 2.805 -2.964 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.491 2.063 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.347 3.820 -2.929 1.00 0.00 H new ATOM 876 N GLU B 19 -4.191 3.853 0.681 1.00 0.00 N ATOM 877 CA GLU B 19 -5.632 3.818 0.871 1.00 0.00 C ATOM 878 C GLU B 19 -6.202 5.222 0.668 1.00 0.00 C ATOM 879 O GLU B 19 -7.247 5.346 0.013 1.00 0.00 O ATOM 880 CB GLU B 19 -6.002 3.269 2.250 1.00 0.00 C ATOM 881 CG GLU B 19 -7.225 2.353 2.166 1.00 0.00 C ATOM 882 CD GLU B 19 -8.402 3.071 1.502 1.00 0.00 C ATOM 883 OE1 GLU B 19 -8.690 4.230 1.836 1.00 0.00 O ATOM 884 OE2 GLU B 19 -9.027 2.382 0.608 1.00 0.00 O ATOM 0 H GLU B 19 -3.652 3.680 1.530 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.067 3.144 0.134 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.158 2.717 2.664 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -6.208 4.095 2.931 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -6.974 1.456 1.599 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.510 2.028 3.167 1.00 0.00 H new ATOM 891 N ASN B 20 -5.518 6.238 1.227 1.00 0.00 N ATOM 892 CA ASN B 20 -5.955 7.619 1.108 1.00 0.00 C ATOM 893 C ASN B 20 -5.831 8.064 -0.351 1.00 0.00 C ATOM 894 O ASN B 20 -6.641 8.897 -0.783 1.00 0.00 O ATOM 895 CB ASN B 20 -5.087 8.546 1.961 1.00 0.00 C ATOM 896 CG ASN B 20 -5.721 8.781 3.334 1.00 0.00 C ATOM 897 OD1 ASN B 20 -6.929 8.747 3.502 1.00 0.00 O ATOM 898 ND2 ASN B 20 -4.842 9.021 4.302 1.00 0.00 N ATOM 0 H ASN B 20 -4.660 6.115 1.764 1.00 0.00 H new ATOM 0 HA ASN B 20 -6.988 7.677 1.450 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.095 8.110 2.084 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -4.955 9.499 1.449 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -5.166 9.191 5.254 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.844 9.035 4.093 1.00 0.00 H new ATOM 905 N GLU B 21 -4.836 7.511 -1.066 1.00 0.00 N ATOM 906 CA GLU B 21 -4.611 7.849 -2.462 1.00 0.00 C ATOM 907 C GLU B 21 -5.571 7.042 -3.339 1.00 0.00 C ATOM 908 O GLU B 21 -6.007 7.567 -4.374 1.00 0.00 O ATOM 909 CB GLU B 21 -3.157 7.606 -2.872 1.00 0.00 C ATOM 910 CG GLU B 21 -2.738 8.555 -3.996 1.00 0.00 C ATOM 911 CD GLU B 21 -2.749 7.840 -5.349 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.683 7.166 -5.619 1.00 0.00 O ATOM 913 OE2 GLU B 21 -3.736 7.937 -6.094 1.00 0.00 O ATOM 0 H GLU B 21 -4.179 6.828 -0.689 1.00 0.00 H new ATOM 0 HA GLU B 21 -4.806 8.913 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.504 7.747 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.035 6.573 -3.199 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.414 9.409 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -1.740 8.945 -3.795 1.00 0.00 H new ATOM 920 N VAL B 22 -5.874 5.802 -2.916 1.00 0.00 N ATOM 921 CA VAL B 22 -6.773 4.933 -3.658 1.00 0.00 C ATOM 922 C VAL B 22 -8.219 5.356 -3.390 1.00 0.00 C ATOM 923 O VAL B 22 -9.063 5.169 -4.279 1.00 0.00 O ATOM 924 CB VAL B 22 -6.501 3.471 -3.301 1.00 0.00 C ATOM 925 CG1 VAL B 22 -7.739 2.607 -3.547 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.295 2.933 -4.074 1.00 0.00 C ATOM 0 H VAL B 22 -5.503 5.388 -2.061 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.599 5.028 -4.730 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.266 3.424 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.518 1.572 -3.285 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -8.563 2.969 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.019 2.663 -4.599 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.123 1.892 -3.802 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.489 3.001 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.412 3.523 -3.827 1.00 0.00 H new ATOM 936 N ALA B 23 -8.473 5.906 -2.190 1.00 0.00 N ATOM 937 CA ALA B 23 -9.804 6.349 -1.812 1.00 0.00 C ATOM 938 C ALA B 23 -10.239 7.490 -2.733 1.00 0.00 C ATOM 939 O ALA B 23 -11.448 7.633 -2.966 1.00 0.00 O ATOM 940 CB ALA B 23 -9.771 6.930 -0.397 1.00 0.00 C ATOM 0 H ALA B 23 -7.764 6.050 -1.471 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.482 5.498 -1.877 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -10.771 7.261 -0.116 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -9.432 6.166 0.302 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.086 7.778 -0.368 1.00 0.00 H new ATOM 946 N ARG B 24 -9.261 8.267 -3.232 1.00 0.00 N ATOM 947 CA ARG B 24 -9.540 9.383 -4.120 1.00 0.00 C ATOM 948 C ARG B 24 -9.691 8.865 -5.551 1.00 0.00 C ATOM 949 O ARG B 24 -10.609 9.320 -6.249 1.00 0.00 O ATOM 950 CB ARG B 24 -8.425 10.430 -4.076 1.00 0.00 C ATOM 951 CG ARG B 24 -7.508 10.206 -2.872 1.00 0.00 C ATOM 952 CD ARG B 24 -6.493 11.343 -2.737 1.00 0.00 C ATOM 953 NE ARG B 24 -6.008 11.426 -1.342 1.00 0.00 N ATOM 954 CZ ARG B 24 -6.744 11.893 -0.311 1.00 0.00 C ATOM 955 NH1 ARG B 24 -7.995 12.314 -0.544 1.00 0.00 N ATOM 956 NH2 ARG B 24 -6.232 11.935 0.927 1.00 0.00 N ATOM 0 H ARG B 24 -8.271 8.132 -3.028 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.463 9.858 -3.788 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.841 10.383 -4.995 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.860 11.428 -4.025 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -8.106 10.137 -1.963 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -6.984 9.257 -2.981 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -5.654 11.175 -3.413 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.952 12.288 -3.028 1.00 0.00 H new ATOM 0 HE ARG B 24 -5.058 11.111 -1.147 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -8.377 12.279 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -8.565 12.670 0.224 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -5.279 11.613 1.096 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -6.795 12.289 1.700 1.00 0.00 H new ATOM 970 N LEU B 25 -8.800 7.940 -5.953 1.00 0.00 N ATOM 971 CA LEU B 25 -8.835 7.369 -7.289 1.00 0.00 C ATOM 972 C LEU B 25 -10.119 6.555 -7.458 1.00 0.00 C ATOM 973 O LEU B 25 -10.747 6.657 -8.523 1.00 0.00 O ATOM 974 CB LEU B 25 -7.559 6.570 -7.562 1.00 0.00 C ATOM 975 CG LEU B 25 -6.284 7.390 -7.766 1.00 0.00 C ATOM 976 CD1 LEU B 25 -5.075 6.478 -7.991 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.457 8.402 -8.898 1.00 0.00 C ATOM 0 H LEU B 25 -8.051 7.579 -5.362 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.857 8.158 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.398 5.886 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.720 5.959 -8.450 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.094 7.957 -6.855 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.182 7.086 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.940 5.832 -7.123 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.241 5.865 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.536 8.971 -9.021 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.685 7.876 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.274 9.082 -8.656 1.00 0.00 H new ATOM 989 N LYS B 26 -10.478 5.774 -6.424 1.00 0.00 N ATOM 990 CA LYS B 26 -11.675 4.952 -6.458 1.00 0.00 C ATOM 991 C LYS B 26 -12.908 5.855 -6.523 1.00 0.00 C ATOM 992 O LYS B 26 -13.934 5.415 -7.062 1.00 0.00 O ATOM 993 CB LYS B 26 -11.689 3.977 -5.279 1.00 0.00 C ATOM 994 CG LYS B 26 -10.936 2.689 -5.622 1.00 0.00 C ATOM 995 CD LYS B 26 -11.859 1.683 -6.315 1.00 0.00 C ATOM 996 CE LYS B 26 -11.564 1.610 -7.815 1.00 0.00 C ATOM 997 NZ LYS B 26 -10.633 0.507 -8.104 1.00 0.00 N ATOM 0 H LYS B 26 -9.946 5.703 -5.556 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.686 4.333 -7.355 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.233 4.448 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.719 3.740 -5.011 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.091 2.919 -6.270 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.529 2.248 -4.712 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.730 0.698 -5.867 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.899 1.971 -6.159 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.492 1.465 -8.368 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -11.136 2.553 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -10.259 0.612 -9.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -9.847 0.529 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.135 -0.401 -8.024 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.785 7.080 -5.982 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.882 8.034 -5.980 1.00 0.00 C ATOM 1013 C LYS B 27 -13.969 8.708 -7.351 1.00 0.00 C ATOM 1014 O LYS B 27 -14.982 9.371 -7.617 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.732 9.019 -4.819 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.084 9.296 -4.157 1.00 0.00 C ATOM 1017 CD LYS B 27 -14.978 10.450 -3.158 1.00 0.00 C ATOM 1018 CE LYS B 27 -13.733 10.305 -2.282 1.00 0.00 C ATOM 1019 NZ LYS B 27 -13.831 9.101 -1.441 1.00 0.00 N ATOM 0 H LYS B 27 -11.931 7.423 -5.542 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.831 7.524 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.038 8.615 -4.082 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.303 9.953 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.824 9.537 -4.920 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.434 8.399 -3.646 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.941 11.398 -3.695 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -15.868 10.474 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -12.844 10.245 -2.910 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -13.620 11.187 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -13.656 9.356 -0.448 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -14.783 8.691 -1.531 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -13.123 8.404 -1.749 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.926 8.527 -8.179 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.886 9.113 -9.507 1.00 0.00 C ATOM 1035 C LEU B 28 -13.116 8.018 -10.551 1.00 0.00 C ATOM 1036 O LEU B 28 -13.737 8.309 -11.583 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.585 9.893 -9.711 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.732 11.313 -10.260 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.935 12.321 -9.128 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -10.544 11.682 -11.151 1.00 0.00 C ATOM 0 H LEU B 28 -12.102 7.975 -7.940 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.689 9.841 -9.625 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -11.064 9.947 -8.755 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.948 9.327 -10.390 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.625 11.347 -10.884 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -12.037 13.322 -9.546 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.837 12.067 -8.572 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -11.076 12.293 -8.458 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -10.673 12.696 -11.528 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.623 11.625 -10.571 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -10.488 10.987 -11.989 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.618 6.801 -10.266 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.769 5.676 -11.173 1.00 0.00 C ATOM 1054 C VAL B 29 -13.742 4.663 -10.566 1.00 0.00 C ATOM 1055 O VAL B 29 -14.793 4.417 -11.175 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.399 5.073 -11.490 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.478 4.141 -12.700 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -10.354 6.168 -11.708 1.00 0.00 C ATOM 0 H VAL B 29 -12.108 6.583 -9.410 1.00 0.00 H new ATOM 0 HA VAL B 29 -13.193 6.005 -12.122 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.087 4.480 -10.630 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.491 3.726 -12.904 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.176 3.331 -12.490 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.823 4.701 -13.569 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -9.390 5.711 -11.932 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.658 6.800 -12.542 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -10.268 6.774 -10.806 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.379 4.107 -9.396 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.215 3.132 -8.716 1.00 0.00 C ATOM 1070 C GLY B 30 -15.623 3.704 -8.545 1.00 0.00 C ATOM 1071 O GLY B 30 -16.526 2.945 -8.162 1.00 0.00 O ATOM 0 H GLY B 30 -12.509 4.324 -8.910 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.254 2.206 -9.290 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -13.789 2.887 -7.743 1.00 0.00 H new ATOM 1075 N GLU B 31 -15.781 5.010 -8.827 1.00 0.00 N ATOM 1076 CA GLU B 31 -17.068 5.674 -8.705 1.00 0.00 C ATOM 1077 C GLU B 31 -18.087 4.971 -9.604 1.00 0.00 C ATOM 1078 O GLU B 31 -17.673 4.375 -10.610 1.00 0.00 O ATOM 1079 CB GLU B 31 -16.968 7.162 -9.049 1.00 0.00 C ATOM 1080 CG GLU B 31 -17.674 8.016 -7.994 1.00 0.00 C ATOM 1081 CD GLU B 31 -18.017 9.400 -8.551 1.00 0.00 C ATOM 1082 OE1 GLU B 31 -18.466 9.406 -9.759 1.00 0.00 O ATOM 1083 OE2 GLU B 31 -17.854 10.409 -7.848 1.00 0.00 O ATOM 0 H GLU B 31 -15.024 5.618 -9.141 1.00 0.00 H new ATOM 0 HA GLU B 31 -17.398 5.609 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -15.920 7.454 -9.117 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -17.413 7.344 -10.027 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -18.585 7.516 -7.666 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -17.034 8.121 -7.118 1.00 0.00 H new ATOM 1090 N ARG B 32 -19.377 5.054 -9.232 1.00 0.00 N ATOM 1091 CA ARG B 32 -20.441 4.429 -10.000 1.00 0.00 C ATOM 1092 C ARG B 32 -20.222 4.708 -11.488 1.00 0.00 C ATOM 1093 O ARG B 32 -19.538 5.665 -11.848 1.00 0.00 O ATOM 1094 CB ARG B 32 -21.817 4.957 -9.587 1.00 0.00 C ATOM 1095 CG ARG B 32 -21.810 5.425 -8.131 1.00 0.00 C ATOM 1096 CD ARG B 32 -21.365 4.300 -7.194 1.00 0.00 C ATOM 1097 NE ARG B 32 -21.892 3.003 -7.675 1.00 0.00 N ATOM 1098 CZ ARG B 32 -23.017 2.422 -7.206 1.00 0.00 C ATOM 1099 NH1 ARG B 32 -23.717 3.043 -6.246 1.00 0.00 N ATOM 1100 NH2 ARG B 32 -23.429 1.245 -7.694 1.00 0.00 N ATOM 0 H ARG B 32 -19.697 5.551 -8.401 1.00 0.00 H new ATOM 0 HA ARG B 32 -20.414 3.357 -9.805 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -22.103 5.784 -10.237 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -22.565 4.175 -9.718 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -21.141 6.279 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -22.807 5.764 -7.850 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -20.277 4.265 -7.146 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -21.722 4.495 -6.183 1.00 0.00 H new ATOM 0 HE ARG B 32 -21.373 2.518 -8.407 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -23.397 3.940 -5.881 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -24.569 2.618 -5.880 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -22.892 0.780 -8.426 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -24.280 0.813 -7.334 1.00 0.00 H new TER 1114 ARG B 32