USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 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 7 LYS NZ :NH3+ -151:sc= -0.3 (180deg=-1.31!) USER MOD Set 1.2: B 12 LYS NZ :NH3+ -162:sc= -0.848 (180deg=-1.66!) USER MOD Set 2.1: A 8 MET CE :methyl -174:sc= -0.451 (180deg=-0.0719) USER MOD Set 2.2: B 7 LYS NZ :NH3+ -100:sc= -3.92! (180deg=-4.22!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.132) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00431) USER MOD Single : A 9 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.11) USER MOD Single : A 10 MET CE :methyl 175:sc= -1.34 (180deg=-1.78!) USER MOD Single : A 12 LYS NZ :NH3+ 145:sc= -1.47 (180deg=-3.87!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= -0.804 USER MOD Single : A 17 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.048) USER MOD Single : A 20 ASN : amide:sc= -0.177 K(o=-0.18,f=-1.7!) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -2.87! (180deg=-3.21!) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= -0.0259 (180deg=-0.271) USER MOD Single : B 1 MET CE :methyl -113:sc= -0.651 (180deg=-1.3) USER MOD Single : B 1 MET N :NH3+ -166:sc= -0.023 (180deg=-0.264) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 MET CE :methyl -153:sc= -1.46 (180deg=-1.88) USER MOD Single : B 9 GLN : amide:sc= 0.0753 X(o=0.075,f=-0.00071) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN : amide:sc= 0.278 X(o=0.28,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= -3.22! USER MOD Single : B 17 HIS : no HD1:sc= -0.585 K(o=-0.58,f=0) USER MOD Single : B 20 ASN : amide:sc= 1.04 K(o=1,f=0) 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 8.432 -11.893 16.899 1.00 0.00 N ATOM 2 CA MET A 1 9.149 -11.714 15.648 1.00 0.00 C ATOM 3 C MET A 1 8.588 -12.678 14.602 1.00 0.00 C ATOM 4 O MET A 1 8.433 -12.266 13.443 1.00 0.00 O ATOM 5 CB MET A 1 10.641 -11.986 15.845 1.00 0.00 C ATOM 6 CG MET A 1 11.488 -11.062 14.968 1.00 0.00 C ATOM 7 SD MET A 1 13.005 -11.916 14.449 1.00 0.00 S ATOM 8 CE MET A 1 13.151 -11.293 12.747 1.00 0.00 C ATOM 0 H1 MET A 1 8.663 -11.113 17.547 1.00 0.00 H new ATOM 0 H2 MET A 1 7.408 -11.898 16.715 1.00 0.00 H new ATOM 0 H3 MET A 1 8.710 -12.797 17.332 1.00 0.00 H new ATOM 0 HA MET A 1 9.022 -10.685 15.310 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.905 -11.842 16.893 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.860 -13.026 15.601 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.917 -10.754 14.092 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.741 -10.156 15.519 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.037 -11.721 12.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.266 -11.578 12.178 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.238 -10.207 12.763 1.00 0.00 H new ATOM 18 N ASP A 2 8.298 -13.923 15.023 1.00 0.00 N ATOM 19 CA ASP A 2 7.760 -14.933 14.128 1.00 0.00 C ATOM 20 C ASP A 2 6.530 -14.372 13.413 1.00 0.00 C ATOM 21 O ASP A 2 6.322 -14.714 12.240 1.00 0.00 O ATOM 22 CB ASP A 2 7.329 -16.181 14.902 1.00 0.00 C ATOM 23 CG ASP A 2 8.365 -16.719 15.890 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.094 -15.950 16.535 1.00 0.00 O ATOM 25 OD2 ASP A 2 8.410 -18.005 15.986 1.00 0.00 O ATOM 0 H ASP A 2 8.432 -14.242 15.982 1.00 0.00 H new ATOM 0 HA ASP A 2 8.540 -15.202 13.415 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.413 -15.954 15.447 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.088 -16.968 14.187 1.00 0.00 H new ATOM 30 N ALA A 3 5.752 -13.534 14.121 1.00 0.00 N ATOM 31 CA ALA A 3 4.555 -12.933 13.558 1.00 0.00 C ATOM 32 C ALA A 3 4.919 -11.597 12.905 1.00 0.00 C ATOM 33 O ALA A 3 4.094 -11.066 12.148 1.00 0.00 O ATOM 34 CB ALA A 3 3.565 -12.607 14.678 1.00 0.00 C ATOM 0 H ALA A 3 5.941 -13.264 15.086 1.00 0.00 H new ATOM 0 HA ALA A 3 4.125 -13.630 12.839 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.669 -12.156 14.252 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.296 -13.523 15.204 1.00 0.00 H new ATOM 0 HB3 ALA A 3 4.024 -11.909 15.378 1.00 0.00 H new ATOM 40 N ILE A 4 6.127 -11.089 13.208 1.00 0.00 N ATOM 41 CA ILE A 4 6.593 -9.829 12.655 1.00 0.00 C ATOM 42 C ILE A 4 7.080 -10.053 11.222 1.00 0.00 C ATOM 43 O ILE A 4 6.723 -9.252 10.345 1.00 0.00 O ATOM 44 CB ILE A 4 7.646 -9.199 13.570 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.067 -8.917 14.957 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.245 -7.944 12.932 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.459 -7.518 15.441 1.00 0.00 C ATOM 0 H ILE A 4 6.791 -11.542 13.836 1.00 0.00 H new ATOM 0 HA ILE A 4 5.775 -9.110 12.605 1.00 0.00 H new ATOM 0 HB ILE A 4 8.459 -9.913 13.700 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.981 -9.004 14.926 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.427 -9.664 15.664 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.990 -7.515 13.602 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.717 -8.207 11.985 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.455 -7.214 12.754 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.035 -7.343 16.430 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.545 -7.442 15.494 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.077 -6.772 14.745 1.00 0.00 H new ATOM 59 N LYS A 5 7.872 -11.121 11.015 1.00 0.00 N ATOM 60 CA LYS A 5 8.400 -11.445 9.701 1.00 0.00 C ATOM 61 C LYS A 5 7.248 -11.522 8.698 1.00 0.00 C ATOM 62 O LYS A 5 7.447 -11.128 7.539 1.00 0.00 O ATOM 63 CB LYS A 5 9.248 -12.717 9.763 1.00 0.00 C ATOM 64 CG LYS A 5 8.824 -13.602 10.937 1.00 0.00 C ATOM 65 CD LYS A 5 9.006 -15.084 10.600 1.00 0.00 C ATOM 66 CE LYS A 5 10.375 -15.586 11.063 1.00 0.00 C ATOM 67 NZ LYS A 5 10.874 -16.632 10.157 1.00 0.00 N ATOM 0 H LYS A 5 8.154 -11.769 11.751 1.00 0.00 H new ATOM 0 HA LYS A 5 9.071 -10.659 9.356 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.147 -13.271 8.830 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.300 -12.452 9.864 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.414 -13.351 11.818 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.781 -13.407 11.186 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.220 -15.669 11.077 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.905 -15.231 9.525 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.081 -14.757 11.094 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.301 -15.980 12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.804 -16.961 10.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.207 -17.430 10.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.964 -16.245 9.196 1.00 0.00 H new ATOM 81 N LYS A 6 6.084 -12.018 9.153 1.00 0.00 N ATOM 82 CA LYS A 6 4.914 -12.145 8.302 1.00 0.00 C ATOM 83 C LYS A 6 4.146 -10.821 8.297 1.00 0.00 C ATOM 84 O LYS A 6 3.533 -10.499 7.270 1.00 0.00 O ATOM 85 CB LYS A 6 4.067 -13.346 8.729 1.00 0.00 C ATOM 86 CG LYS A 6 4.948 -14.474 9.267 1.00 0.00 C ATOM 87 CD LYS A 6 4.163 -15.783 9.365 1.00 0.00 C ATOM 88 CE LYS A 6 4.429 -16.675 8.151 1.00 0.00 C ATOM 89 NZ LYS A 6 5.736 -17.341 8.277 1.00 0.00 N ATOM 0 H LYS A 6 5.940 -12.336 10.112 1.00 0.00 H new ATOM 0 HA LYS A 6 5.212 -12.345 7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.355 -13.039 9.495 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.487 -13.707 7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.810 -14.611 8.614 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.333 -14.202 10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.442 -16.311 10.277 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.097 -15.567 9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.641 -17.422 8.062 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.406 -16.076 7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.064 -17.643 7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.425 -16.679 8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.644 -18.172 8.895 1.00 0.00 H new ATOM 103 N LYS A 7 4.195 -10.094 9.427 1.00 0.00 N ATOM 104 CA LYS A 7 3.508 -8.819 9.552 1.00 0.00 C ATOM 105 C LYS A 7 3.874 -7.929 8.363 1.00 0.00 C ATOM 106 O LYS A 7 2.971 -7.293 7.802 1.00 0.00 O ATOM 107 CB LYS A 7 3.805 -8.182 10.912 1.00 0.00 C ATOM 108 CG LYS A 7 3.102 -6.830 11.048 1.00 0.00 C ATOM 109 CD LYS A 7 1.635 -6.929 10.628 1.00 0.00 C ATOM 110 CE LYS A 7 0.825 -5.757 11.186 1.00 0.00 C ATOM 111 NZ LYS A 7 0.979 -5.673 12.648 1.00 0.00 N ATOM 0 H LYS A 7 4.707 -10.378 10.262 1.00 0.00 H new ATOM 0 HA LYS A 7 2.428 -8.963 9.522 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.477 -8.849 11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.881 -8.050 11.029 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.166 -6.485 12.080 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.611 -6.088 10.432 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.564 -6.940 9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.214 -7.869 10.984 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.156 -4.826 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.228 -5.881 10.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.122 -5.256 13.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.125 -6.626 13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.800 -5.077 12.877 1.00 0.00 H new ATOM 125 N MET A 8 5.172 -7.902 8.007 1.00 0.00 N ATOM 126 CA MET A 8 5.649 -7.097 6.896 1.00 0.00 C ATOM 127 C MET A 8 5.276 -7.782 5.579 1.00 0.00 C ATOM 128 O MET A 8 5.243 -7.096 4.547 1.00 0.00 O ATOM 129 CB MET A 8 7.168 -6.930 6.973 1.00 0.00 C ATOM 130 CG MET A 8 7.883 -8.214 6.552 1.00 0.00 C ATOM 131 SD MET A 8 8.411 -8.092 4.818 1.00 0.00 S ATOM 132 CE MET A 8 10.211 -7.987 5.042 1.00 0.00 C ATOM 0 H MET A 8 5.901 -8.434 8.482 1.00 0.00 H new ATOM 0 HA MET A 8 5.185 -6.112 6.946 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.480 -6.108 6.329 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.457 -6.665 7.990 1.00 0.00 H new ATOM 0 HG2 MET A 8 8.748 -8.385 7.193 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.218 -9.068 6.679 1.00 0.00 H new ATOM 0 HE1 MET A 8 10.687 -7.800 4.080 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.445 -7.173 5.728 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.582 -8.926 5.454 1.00 0.00 H new ATOM 142 N GLN A 9 5.008 -9.099 5.640 1.00 0.00 N ATOM 143 CA GLN A 9 4.643 -9.865 4.462 1.00 0.00 C ATOM 144 C GLN A 9 3.191 -9.560 4.089 1.00 0.00 C ATOM 145 O GLN A 9 2.854 -9.652 2.900 1.00 0.00 O ATOM 146 CB GLN A 9 4.850 -11.365 4.680 1.00 0.00 C ATOM 147 CG GLN A 9 6.326 -11.742 4.545 1.00 0.00 C ATOM 148 CD GLN A 9 6.483 -13.197 4.100 1.00 0.00 C ATOM 149 OE1 GLN A 9 5.948 -13.626 3.092 1.00 0.00 O ATOM 150 NE2 GLN A 9 7.243 -13.930 4.909 1.00 0.00 N ATOM 0 H GLN A 9 5.041 -9.645 6.501 1.00 0.00 H new ATOM 0 HA GLN A 9 5.295 -9.571 3.639 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.489 -11.645 5.670 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.260 -11.926 3.955 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.808 -11.083 3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 9 6.831 -11.594 5.499 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.661 -13.507 5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.407 -14.915 4.701 1.00 0.00 H new ATOM 159 N MET A 10 2.372 -9.208 5.097 1.00 0.00 N ATOM 160 CA MET A 10 0.972 -8.893 4.878 1.00 0.00 C ATOM 161 C MET A 10 0.852 -7.467 4.339 1.00 0.00 C ATOM 162 O MET A 10 -0.021 -7.227 3.492 1.00 0.00 O ATOM 163 CB MET A 10 0.187 -9.011 6.186 1.00 0.00 C ATOM 164 CG MET A 10 1.004 -9.747 7.249 1.00 0.00 C ATOM 165 SD MET A 10 -0.005 -10.006 8.739 1.00 0.00 S ATOM 166 CE MET A 10 -1.668 -9.915 8.014 1.00 0.00 C ATOM 0 H MET A 10 2.669 -9.138 6.070 1.00 0.00 H new ATOM 0 HA MET A 10 0.560 -9.598 4.156 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.076 -8.017 6.548 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.747 -9.543 6.007 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.344 -10.706 6.859 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.895 -9.171 7.499 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.411 -10.142 8.778 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.841 -8.911 7.626 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.751 -10.637 7.202 1.00 0.00 H new ATOM 176 N LEU A 11 1.718 -6.562 4.830 1.00 0.00 N ATOM 177 CA LEU A 11 1.710 -5.174 4.401 1.00 0.00 C ATOM 178 C LEU A 11 2.366 -5.067 3.023 1.00 0.00 C ATOM 179 O LEU A 11 2.002 -4.156 2.265 1.00 0.00 O ATOM 180 CB LEU A 11 2.356 -4.281 5.462 1.00 0.00 C ATOM 181 CG LEU A 11 1.772 -4.384 6.871 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.682 -3.698 7.893 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.345 -3.834 6.915 1.00 0.00 C ATOM 0 H LEU A 11 2.430 -6.780 5.527 1.00 0.00 H new ATOM 0 HA LEU A 11 0.687 -4.814 4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.418 -4.520 5.512 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.278 -3.245 5.133 1.00 0.00 H new ATOM 0 HG LEU A 11 1.719 -5.438 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.244 -3.786 8.887 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.662 -4.175 7.885 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.789 -2.644 7.635 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.047 -3.919 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.349 -2.786 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.286 -4.404 6.233 1.00 0.00 H new ATOM 195 N LYS A 12 3.306 -5.983 2.731 1.00 0.00 N ATOM 196 CA LYS A 12 4.005 -5.992 1.458 1.00 0.00 C ATOM 197 C LYS A 12 3.082 -6.561 0.378 1.00 0.00 C ATOM 198 O LYS A 12 3.177 -6.113 -0.774 1.00 0.00 O ATOM 199 CB LYS A 12 5.338 -6.733 1.582 1.00 0.00 C ATOM 200 CG LYS A 12 6.484 -5.760 1.860 1.00 0.00 C ATOM 201 CD LYS A 12 7.356 -5.570 0.617 1.00 0.00 C ATOM 202 CE LYS A 12 8.366 -4.440 0.824 1.00 0.00 C ATOM 203 NZ LYS A 12 7.793 -3.152 0.401 1.00 0.00 N ATOM 0 H LYS A 12 3.592 -6.725 3.370 1.00 0.00 H new ATOM 0 HA LYS A 12 4.260 -4.976 1.157 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.277 -7.467 2.386 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.539 -7.283 0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.080 -4.798 2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.093 -6.136 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.883 -6.497 0.393 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.725 -5.346 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.654 -4.389 1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.273 -4.646 0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.142 -2.395 1.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.075 -2.952 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.756 -3.197 0.460 1.00 0.00 H new ATOM 217 N LEU A 13 2.224 -7.521 0.765 1.00 0.00 N ATOM 218 CA LEU A 13 1.295 -8.143 -0.163 1.00 0.00 C ATOM 219 C LEU A 13 0.208 -7.135 -0.543 1.00 0.00 C ATOM 220 O LEU A 13 -0.185 -7.107 -1.718 1.00 0.00 O ATOM 221 CB LEU A 13 0.747 -9.447 0.420 1.00 0.00 C ATOM 222 CG LEU A 13 0.239 -10.474 -0.595 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.781 -11.417 0.045 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.320 -9.784 -1.840 1.00 0.00 C ATOM 0 H LEU A 13 2.163 -7.876 1.719 1.00 0.00 H new ATOM 0 HA LEU A 13 1.807 -8.423 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.531 -9.913 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.069 -9.203 1.100 1.00 0.00 H new ATOM 0 HG LEU A 13 1.083 -11.083 -0.917 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.126 -12.137 -0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.315 -11.947 0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.629 -10.840 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.674 -10.536 -2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.148 -9.135 -1.555 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.463 -9.188 -2.308 1.00 0.00 H new ATOM 236 N ASP A 14 -0.248 -6.341 0.442 1.00 0.00 N ATOM 237 CA ASP A 14 -1.278 -5.343 0.213 1.00 0.00 C ATOM 238 C ASP A 14 -0.704 -4.211 -0.641 1.00 0.00 C ATOM 239 O ASP A 14 -1.468 -3.604 -1.406 1.00 0.00 O ATOM 240 CB ASP A 14 -1.765 -4.740 1.532 1.00 0.00 C ATOM 241 CG ASP A 14 -3.278 -4.537 1.631 1.00 0.00 C ATOM 242 OD1 ASP A 14 -4.065 -5.464 1.390 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.647 -3.349 1.976 1.00 0.00 O ATOM 0 H ASP A 14 0.090 -6.381 1.404 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.113 -5.830 -0.290 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.446 -5.387 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.274 -3.778 1.677 1.00 0.00 H new ATOM 248 N ASN A 15 0.608 -3.953 -0.496 1.00 0.00 N ATOM 249 CA ASN A 15 1.274 -2.903 -1.249 1.00 0.00 C ATOM 250 C ASN A 15 1.213 -3.235 -2.741 1.00 0.00 C ATOM 251 O ASN A 15 0.843 -2.351 -3.526 1.00 0.00 O ATOM 252 CB ASN A 15 2.747 -2.791 -0.850 1.00 0.00 C ATOM 253 CG ASN A 15 3.256 -1.360 -1.032 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.697 -0.961 -2.097 1.00 0.00 O ATOM 255 ND2 ASN A 15 3.171 -0.611 0.065 1.00 0.00 N ATOM 0 H ASN A 15 1.220 -4.465 0.140 1.00 0.00 H new ATOM 0 HA ASN A 15 0.769 -1.961 -1.035 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.870 -3.095 0.189 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.344 -3.473 -1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.485 0.359 0.046 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.791 -1.007 0.925 1.00 0.00 H new ATOM 262 N TYR A 16 1.572 -4.482 -3.096 1.00 0.00 N ATOM 263 CA TYR A 16 1.540 -4.858 -4.500 1.00 0.00 C ATOM 264 C TYR A 16 0.106 -4.741 -5.021 1.00 0.00 C ATOM 265 O TYR A 16 -0.060 -4.338 -6.181 1.00 0.00 O ATOM 266 CB TYR A 16 2.100 -6.280 -4.679 1.00 0.00 C ATOM 267 CG TYR A 16 3.325 -6.589 -3.827 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.278 -5.581 -3.552 1.00 0.00 C ATOM 269 CD2 TYR A 16 3.515 -7.890 -3.310 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.411 -5.873 -2.766 1.00 0.00 C ATOM 271 CE2 TYR A 16 4.650 -8.182 -2.522 1.00 0.00 C ATOM 272 CZ TYR A 16 5.599 -7.174 -2.248 1.00 0.00 C ATOM 273 OH TYR A 16 6.694 -7.460 -1.484 1.00 0.00 O ATOM 0 H TYR A 16 1.874 -5.213 -2.452 1.00 0.00 H new ATOM 0 HA TYR A 16 2.170 -4.185 -5.082 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.316 -6.998 -4.439 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.357 -6.426 -5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.137 -4.585 -3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.790 -8.663 -3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.137 -5.101 -2.559 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.792 -9.178 -2.129 1.00 0.00 H new ATOM 0 HH TYR A 16 6.665 -8.400 -1.210 1.00 0.00 H new ATOM 283 N HIS A 17 -0.881 -5.096 -4.179 1.00 0.00 N ATOM 284 CA HIS A 17 -2.280 -5.037 -4.565 1.00 0.00 C ATOM 285 C HIS A 17 -2.714 -3.574 -4.673 1.00 0.00 C ATOM 286 O HIS A 17 -3.563 -3.271 -5.525 1.00 0.00 O ATOM 287 CB HIS A 17 -3.149 -5.844 -3.599 1.00 0.00 C ATOM 288 CG HIS A 17 -4.328 -5.079 -3.047 1.00 0.00 C ATOM 289 ND1 HIS A 17 -5.512 -4.919 -3.746 1.00 0.00 N ATOM 290 CD2 HIS A 17 -4.493 -4.432 -1.858 1.00 0.00 C ATOM 291 CE1 HIS A 17 -6.344 -4.205 -3.001 1.00 0.00 C ATOM 292 NE2 HIS A 17 -5.710 -3.904 -1.831 1.00 0.00 N ATOM 0 H HIS A 17 -0.723 -5.426 -3.227 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.412 -5.497 -5.544 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.514 -6.734 -4.112 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.530 -6.186 -2.769 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.757 -4.361 -1.071 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.348 -3.913 -3.273 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -6.106 -3.363 -1.063 1.00 0.00 H new ATOM 300 N LEU A 18 -2.136 -2.710 -3.820 1.00 0.00 N ATOM 301 CA LEU A 18 -2.460 -1.294 -3.819 1.00 0.00 C ATOM 302 C LEU A 18 -1.776 -0.617 -5.009 1.00 0.00 C ATOM 303 O LEU A 18 -2.434 0.178 -5.694 1.00 0.00 O ATOM 304 CB LEU A 18 -2.111 -0.665 -2.469 1.00 0.00 C ATOM 305 CG LEU A 18 -3.012 -1.052 -1.295 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.339 -0.734 0.042 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.387 -0.392 -1.416 1.00 0.00 C ATOM 0 H LEU A 18 -1.441 -2.980 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.533 -1.149 -3.944 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.085 -0.936 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.136 0.419 -2.578 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.169 -2.130 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.001 -1.019 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.405 -1.290 0.121 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.131 0.334 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.007 -0.684 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.271 0.692 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.864 -0.713 -2.342 1.00 0.00 H new ATOM 319 N GLU A 19 -0.489 -0.941 -5.226 1.00 0.00 N ATOM 320 CA GLU A 19 0.275 -0.369 -6.322 1.00 0.00 C ATOM 321 C GLU A 19 -0.358 -0.786 -7.651 1.00 0.00 C ATOM 322 O GLU A 19 -0.346 0.024 -8.589 1.00 0.00 O ATOM 323 CB GLU A 19 1.746 -0.785 -6.260 1.00 0.00 C ATOM 324 CG GLU A 19 2.666 0.421 -6.451 1.00 0.00 C ATOM 325 CD GLU A 19 3.913 0.305 -5.571 1.00 0.00 C ATOM 326 OE1 GLU A 19 4.725 -0.610 -5.765 1.00 0.00 O ATOM 327 OE2 GLU A 19 4.021 1.210 -4.658 1.00 0.00 O ATOM 0 H GLU A 19 0.035 -1.599 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 19 0.249 0.717 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.954 -1.257 -5.300 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.950 -1.528 -7.031 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.961 0.496 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.127 1.336 -6.206 1.00 0.00 H new ATOM 334 N ASN A 20 -0.888 -2.021 -7.704 1.00 0.00 N ATOM 335 CA ASN A 20 -1.519 -2.537 -8.908 1.00 0.00 C ATOM 336 C ASN A 20 -2.833 -1.793 -9.149 1.00 0.00 C ATOM 337 O ASN A 20 -3.259 -1.708 -10.310 1.00 0.00 O ATOM 338 CB ASN A 20 -1.837 -4.027 -8.767 1.00 0.00 C ATOM 339 CG ASN A 20 -0.643 -4.885 -9.192 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.167 -4.502 -10.019 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.582 -6.065 -8.582 1.00 0.00 N ATOM 0 H ASN A 20 -0.886 -2.673 -6.920 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.829 -2.393 -9.739 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.100 -4.250 -7.733 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.705 -4.277 -9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.177 -6.712 -8.797 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.294 -6.323 -7.899 1.00 0.00 H new ATOM 348 N GLU A 21 -3.440 -1.278 -8.065 1.00 0.00 N ATOM 349 CA GLU A 21 -4.694 -0.548 -8.159 1.00 0.00 C ATOM 350 C GLU A 21 -4.406 0.906 -8.541 1.00 0.00 C ATOM 351 O GLU A 21 -5.215 1.494 -9.274 1.00 0.00 O ATOM 352 CB GLU A 21 -5.487 -0.626 -6.853 1.00 0.00 C ATOM 353 CG GLU A 21 -6.994 -0.607 -7.125 1.00 0.00 C ATOM 354 CD GLU A 21 -7.595 -2.004 -6.971 1.00 0.00 C ATOM 355 OE1 GLU A 21 -6.883 -2.962 -7.462 1.00 0.00 O ATOM 356 OE2 GLU A 21 -8.691 -2.150 -6.410 1.00 0.00 O ATOM 0 H GLU A 21 -3.073 -1.360 -7.117 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.310 -1.007 -8.933 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.222 -1.537 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.219 0.212 -6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.483 0.081 -6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.181 -0.236 -8.133 1.00 0.00 H new ATOM 363 N VAL A 22 -3.279 1.447 -8.046 1.00 0.00 N ATOM 364 CA VAL A 22 -2.892 2.817 -8.334 1.00 0.00 C ATOM 365 C VAL A 22 -2.283 2.887 -9.735 1.00 0.00 C ATOM 366 O VAL A 22 -2.597 3.837 -10.467 1.00 0.00 O ATOM 367 CB VAL A 22 -1.948 3.334 -7.246 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.358 4.692 -7.631 1.00 0.00 C ATOM 369 CG2 VAL A 22 -2.660 3.408 -5.893 1.00 0.00 C ATOM 0 H VAL A 22 -2.626 0.945 -7.444 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.765 3.470 -8.326 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.124 2.626 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.691 5.036 -6.841 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.798 4.595 -8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.164 5.414 -7.766 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.967 3.778 -5.137 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.512 4.084 -5.967 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.008 2.415 -5.610 1.00 0.00 H new ATOM 379 N ALA A 23 -1.440 1.895 -10.076 1.00 0.00 N ATOM 380 CA ALA A 23 -0.795 1.846 -11.377 1.00 0.00 C ATOM 381 C ALA A 23 -1.852 1.593 -12.455 1.00 0.00 C ATOM 382 O ALA A 23 -1.557 1.827 -13.636 1.00 0.00 O ATOM 383 CB ALA A 23 0.166 0.657 -11.430 1.00 0.00 C ATOM 0 H ALA A 23 -1.197 1.120 -9.459 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.271 2.788 -11.539 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.648 0.622 -12.407 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.924 0.767 -10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.389 -0.267 -11.267 1.00 0.00 H new ATOM 389 N ARG A 24 -3.042 1.127 -12.035 1.00 0.00 N ATOM 390 CA ARG A 24 -4.128 0.847 -12.957 1.00 0.00 C ATOM 391 C ARG A 24 -5.092 2.035 -12.980 1.00 0.00 C ATOM 392 O ARG A 24 -5.779 2.218 -13.995 1.00 0.00 O ATOM 393 CB ARG A 24 -4.895 -0.415 -12.557 1.00 0.00 C ATOM 394 CG ARG A 24 -4.373 -1.637 -13.316 1.00 0.00 C ATOM 395 CD ARG A 24 -2.948 -1.984 -12.883 1.00 0.00 C ATOM 396 NE ARG A 24 -2.127 -2.323 -14.066 1.00 0.00 N ATOM 397 CZ ARG A 24 -1.291 -3.382 -14.129 1.00 0.00 C ATOM 398 NH1 ARG A 24 -1.182 -4.188 -13.064 1.00 0.00 N ATOM 399 NH2 ARG A 24 -0.581 -3.622 -15.240 1.00 0.00 N ATOM 0 H ARG A 24 -3.264 0.940 -11.057 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.698 0.685 -13.945 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.797 -0.580 -11.484 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.957 -0.280 -12.763 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.029 -2.489 -13.136 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.393 -1.440 -14.388 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.505 -1.141 -12.352 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.965 -2.824 -12.189 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.197 -1.719 -14.885 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.726 -3.997 -12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.555 -4.992 -13.095 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.670 -3.003 -16.046 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.048 -4.424 -15.280 1.00 0.00 H new ATOM 413 N LEU A 25 -5.124 2.806 -11.878 1.00 0.00 N ATOM 414 CA LEU A 25 -5.996 3.964 -11.773 1.00 0.00 C ATOM 415 C LEU A 25 -5.273 5.193 -12.329 1.00 0.00 C ATOM 416 O LEU A 25 -5.939 6.045 -12.934 1.00 0.00 O ATOM 417 CB LEU A 25 -6.485 4.137 -10.334 1.00 0.00 C ATOM 418 CG LEU A 25 -7.572 3.164 -9.874 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.762 3.232 -8.357 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.881 3.408 -10.626 1.00 0.00 C ATOM 0 H LEU A 25 -4.550 2.638 -11.052 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.893 3.822 -12.375 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.629 4.037 -9.666 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.862 5.153 -10.219 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.247 2.151 -10.114 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.540 2.531 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.827 2.971 -7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.054 4.243 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.637 2.703 -10.280 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.223 4.426 -10.440 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.718 3.269 -11.695 1.00 0.00 H new ATOM 432 N LYS A 26 -3.946 5.258 -12.117 1.00 0.00 N ATOM 433 CA LYS A 26 -3.145 6.372 -12.593 1.00 0.00 C ATOM 434 C LYS A 26 -3.266 6.468 -14.116 1.00 0.00 C ATOM 435 O LYS A 26 -3.081 7.570 -14.653 1.00 0.00 O ATOM 436 CB LYS A 26 -1.702 6.245 -12.098 1.00 0.00 C ATOM 437 CG LYS A 26 -1.421 7.241 -10.970 1.00 0.00 C ATOM 438 CD LYS A 26 -2.579 7.281 -9.972 1.00 0.00 C ATOM 439 CE LYS A 26 -3.455 8.515 -10.198 1.00 0.00 C ATOM 440 NZ LYS A 26 -3.378 9.421 -9.041 1.00 0.00 N ATOM 0 H LYS A 26 -3.416 4.544 -11.617 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.517 7.311 -12.183 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.523 5.230 -11.745 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.013 6.421 -12.924 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.502 6.962 -10.455 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.263 8.235 -11.389 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.182 6.379 -10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.187 7.290 -8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.132 9.037 -11.098 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.489 8.210 -10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.729 10.361 -9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.960 9.044 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.390 9.498 -8.726 1.00 0.00 H new ATOM 454 N LYS A 27 -3.569 5.332 -14.769 1.00 0.00 N ATOM 455 CA LYS A 27 -3.712 5.290 -16.214 1.00 0.00 C ATOM 456 C LYS A 27 -5.083 5.847 -16.602 1.00 0.00 C ATOM 457 O LYS A 27 -5.295 6.112 -17.794 1.00 0.00 O ATOM 458 CB LYS A 27 -3.454 3.875 -16.736 1.00 0.00 C ATOM 459 CG LYS A 27 -2.592 3.907 -18.000 1.00 0.00 C ATOM 460 CD LYS A 27 -2.186 2.493 -18.423 1.00 0.00 C ATOM 461 CE LYS A 27 -1.003 1.992 -17.593 1.00 0.00 C ATOM 462 NZ LYS A 27 0.235 2.684 -17.990 1.00 0.00 N ATOM 0 H LYS A 27 -3.718 4.435 -14.307 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.963 5.923 -16.690 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.956 3.285 -15.967 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.403 3.384 -16.951 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.143 4.388 -18.808 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.700 4.507 -17.821 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.032 1.816 -18.303 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.921 2.488 -19.480 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.197 2.160 -16.534 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.885 0.917 -17.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.058 2.142 -17.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.271 2.764 -19.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.252 3.634 -17.568 1.00 0.00 H new ATOM 476 N LEU A 28 -5.971 6.012 -15.606 1.00 0.00 N ATOM 477 CA LEU A 28 -7.306 6.534 -15.843 1.00 0.00 C ATOM 478 C LEU A 28 -7.407 7.948 -15.268 1.00 0.00 C ATOM 479 O LEU A 28 -8.116 8.776 -15.860 1.00 0.00 O ATOM 480 CB LEU A 28 -8.363 5.571 -15.295 1.00 0.00 C ATOM 481 CG LEU A 28 -9.499 5.207 -16.252 1.00 0.00 C ATOM 482 CD1 LEU A 28 -9.114 4.016 -17.132 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.801 4.957 -15.489 1.00 0.00 C ATOM 0 H LEU A 28 -5.776 5.787 -14.630 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.500 6.610 -16.913 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.864 4.652 -14.989 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.798 6.012 -14.398 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.672 6.055 -16.914 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.939 3.778 -17.803 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.230 4.268 -17.718 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.898 3.153 -16.502 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.592 4.700 -16.194 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.659 4.135 -14.787 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.081 5.857 -14.942 1.00 0.00 H new ATOM 495 N VAL A 29 -6.707 8.193 -14.146 1.00 0.00 N ATOM 496 CA VAL A 29 -6.717 9.495 -13.501 1.00 0.00 C ATOM 497 C VAL A 29 -5.355 10.165 -13.691 1.00 0.00 C ATOM 498 O VAL A 29 -5.305 11.231 -14.321 1.00 0.00 O ATOM 499 CB VAL A 29 -7.110 9.347 -12.029 1.00 0.00 C ATOM 500 CG1 VAL A 29 -7.452 10.705 -11.414 1.00 0.00 C ATOM 501 CG2 VAL A 29 -8.271 8.364 -11.869 1.00 0.00 C ATOM 0 H VAL A 29 -6.129 7.497 -13.675 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.464 10.142 -13.960 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.252 8.943 -11.491 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.728 10.572 -10.368 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.585 11.363 -11.480 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.287 11.150 -11.955 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.531 8.277 -10.814 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.134 8.727 -12.427 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.976 7.387 -12.252 1.00 0.00 H new ATOM 511 N GLY A 30 -4.294 9.536 -13.152 1.00 0.00 N ATOM 512 CA GLY A 30 -2.947 10.068 -13.263 1.00 0.00 C ATOM 513 C GLY A 30 -2.635 10.354 -14.732 1.00 0.00 C ATOM 514 O GLY A 30 -1.604 10.987 -15.004 1.00 0.00 O ATOM 0 H GLY A 30 -4.357 8.658 -12.637 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.855 10.982 -12.675 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.228 9.355 -12.859 1.00 0.00 H new ATOM 518 N GLU A 31 -3.516 9.890 -15.636 1.00 0.00 N ATOM 519 CA GLU A 31 -3.335 10.097 -17.064 1.00 0.00 C ATOM 520 C GLU A 31 -3.270 11.597 -17.354 1.00 0.00 C ATOM 521 O GLU A 31 -3.749 12.380 -16.521 1.00 0.00 O ATOM 522 CB GLU A 31 -4.449 9.428 -17.874 1.00 0.00 C ATOM 523 CG GLU A 31 -3.873 8.628 -19.043 1.00 0.00 C ATOM 524 CD GLU A 31 -4.931 8.398 -20.124 1.00 0.00 C ATOM 525 OE1 GLU A 31 -5.639 9.340 -20.509 1.00 0.00 O ATOM 526 OE2 GLU A 31 -5.003 7.190 -20.567 1.00 0.00 O ATOM 0 H GLU A 31 -4.358 9.370 -15.392 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.398 9.632 -17.369 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.027 8.768 -17.227 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.135 10.187 -18.251 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.023 9.161 -19.469 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.501 7.669 -18.683 1.00 0.00 H new ATOM 533 N ARG A 32 -2.688 11.962 -18.511 1.00 0.00 N ATOM 534 CA ARG A 32 -2.564 13.355 -18.904 1.00 0.00 C ATOM 535 C ARG A 32 -3.948 13.909 -19.250 1.00 0.00 C ATOM 536 O ARG A 32 -4.883 13.147 -19.485 1.00 0.00 O ATOM 537 CB ARG A 32 -1.639 13.519 -20.113 1.00 0.00 C ATOM 538 CG ARG A 32 -0.208 13.829 -19.669 1.00 0.00 C ATOM 539 CD ARG A 32 0.337 12.723 -18.764 1.00 0.00 C ATOM 540 NE ARG A 32 -0.047 11.397 -19.296 1.00 0.00 N ATOM 541 CZ ARG A 32 0.023 10.248 -18.592 1.00 0.00 C ATOM 542 NH1 ARG A 32 0.467 10.288 -17.327 1.00 0.00 N ATOM 543 NH2 ARG A 32 -0.344 9.085 -19.146 1.00 0.00 N ATOM 0 H ARG A 32 -2.299 11.301 -19.183 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.131 13.905 -18.068 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.649 12.607 -20.710 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.008 14.322 -20.752 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.433 13.936 -20.544 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.186 14.781 -19.139 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.423 12.797 -18.699 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.052 12.845 -17.753 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.386 11.348 -20.257 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.745 11.177 -16.912 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.526 9.429 -16.780 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.680 9.062 -20.109 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.287 8.222 -18.605 1.00 0.00 H new TER 557 ARG A 32 ATOM 558 N MET B 1 16.318 -6.828 13.104 1.00 0.00 N ATOM 559 CA MET B 1 15.000 -6.469 13.599 1.00 0.00 C ATOM 560 C MET B 1 14.891 -4.945 13.686 1.00 0.00 C ATOM 561 O MET B 1 13.801 -4.416 13.427 1.00 0.00 O ATOM 562 CB MET B 1 14.767 -7.078 14.984 1.00 0.00 C ATOM 563 CG MET B 1 13.318 -7.543 15.140 1.00 0.00 C ATOM 564 SD MET B 1 13.090 -8.330 16.763 1.00 0.00 S ATOM 565 CE MET B 1 13.419 -6.911 17.850 1.00 0.00 C ATOM 0 H1 MET B 1 16.321 -7.828 12.819 1.00 0.00 H new ATOM 0 H2 MET B 1 16.555 -6.234 12.284 1.00 0.00 H new ATOM 0 H3 MET B 1 17.023 -6.679 13.854 1.00 0.00 H new ATOM 0 HA MET B 1 14.246 -6.856 12.914 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.442 -7.921 15.133 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.002 -6.342 15.753 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.642 -6.694 15.040 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.066 -8.247 14.347 1.00 0.00 H new ATOM 0 HE1 MET B 1 14.339 -7.086 18.408 1.00 0.00 H new ATOM 0 HE2 MET B 1 13.526 -6.009 17.248 1.00 0.00 H new ATOM 0 HE3 MET B 1 12.590 -6.787 18.547 1.00 0.00 H new ATOM 575 N ASP B 2 16.005 -4.281 14.044 1.00 0.00 N ATOM 576 CA ASP B 2 16.035 -2.833 14.163 1.00 0.00 C ATOM 577 C ASP B 2 15.392 -2.211 12.921 1.00 0.00 C ATOM 578 O ASP B 2 14.876 -1.088 13.024 1.00 0.00 O ATOM 579 CB ASP B 2 17.471 -2.318 14.261 1.00 0.00 C ATOM 580 CG ASP B 2 18.126 -2.486 15.634 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.011 -3.543 16.272 1.00 0.00 O ATOM 582 OD2 ASP B 2 18.789 -1.461 16.052 1.00 0.00 O ATOM 0 H ASP B 2 16.893 -4.737 14.254 1.00 0.00 H new ATOM 0 HA ASP B 2 15.492 -2.557 15.067 1.00 0.00 H new ATOM 0 HB2 ASP B 2 18.078 -2.837 13.519 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.481 -1.260 13.998 1.00 0.00 H new ATOM 587 N ALA B 3 15.435 -2.940 11.792 1.00 0.00 N ATOM 588 CA ALA B 3 14.862 -2.462 10.545 1.00 0.00 C ATOM 589 C ALA B 3 13.511 -3.142 10.317 1.00 0.00 C ATOM 590 O ALA B 3 12.705 -2.608 9.540 1.00 0.00 O ATOM 591 CB ALA B 3 15.755 -2.879 9.375 1.00 0.00 C ATOM 0 H ALA B 3 15.864 -3.863 11.729 1.00 0.00 H new ATOM 0 HA ALA B 3 14.764 -1.378 10.603 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.323 -2.519 8.441 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.748 -2.449 9.504 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.831 -3.966 9.345 1.00 0.00 H new ATOM 597 N ILE B 4 13.293 -4.288 10.986 1.00 0.00 N ATOM 598 CA ILE B 4 12.051 -5.032 10.856 1.00 0.00 C ATOM 599 C ILE B 4 10.935 -4.286 11.591 1.00 0.00 C ATOM 600 O ILE B 4 9.831 -4.184 11.039 1.00 0.00 O ATOM 601 CB ILE B 4 12.238 -6.475 11.327 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.282 -7.199 10.474 1.00 0.00 C ATOM 603 CG2 ILE B 4 10.903 -7.221 11.355 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.743 -8.539 9.968 1.00 0.00 C ATOM 0 H ILE B 4 13.970 -4.711 11.621 1.00 0.00 H new ATOM 0 HA ILE B 4 11.756 -5.099 9.809 1.00 0.00 H new ATOM 0 HB ILE B 4 12.616 -6.454 12.349 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.563 -6.573 9.627 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.185 -7.365 11.061 1.00 0.00 H new ATOM 0 HG21 ILE B 4 11.065 -8.244 11.693 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.219 -6.717 12.038 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.472 -7.234 10.354 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.505 -9.033 9.365 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.486 -9.172 10.817 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.854 -8.368 9.361 1.00 0.00 H new ATOM 616 N LYS B 5 11.242 -3.786 12.802 1.00 0.00 N ATOM 617 CA LYS B 5 10.272 -3.057 13.602 1.00 0.00 C ATOM 618 C LYS B 5 9.803 -1.823 12.828 1.00 0.00 C ATOM 619 O LYS B 5 8.640 -1.428 12.997 1.00 0.00 O ATOM 620 CB LYS B 5 10.849 -2.734 14.982 1.00 0.00 C ATOM 621 CG LYS B 5 12.155 -1.946 14.859 1.00 0.00 C ATOM 622 CD LYS B 5 13.219 -2.495 15.812 1.00 0.00 C ATOM 623 CE LYS B 5 12.587 -2.973 17.121 1.00 0.00 C ATOM 624 NZ LYS B 5 13.326 -2.439 18.277 1.00 0.00 N ATOM 0 H LYS B 5 12.159 -3.880 13.238 1.00 0.00 H new ATOM 0 HA LYS B 5 9.391 -3.673 13.786 1.00 0.00 H new ATOM 0 HB2 LYS B 5 10.125 -2.157 15.557 1.00 0.00 H new ATOM 0 HB3 LYS B 5 11.028 -3.659 15.531 1.00 0.00 H new ATOM 0 HG2 LYS B 5 12.519 -1.997 13.833 1.00 0.00 H new ATOM 0 HG3 LYS B 5 11.972 -0.895 15.080 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.748 -3.321 15.336 1.00 0.00 H new ATOM 0 HD3 LYS B 5 13.958 -1.722 16.022 1.00 0.00 H new ATOM 0 HE2 LYS B 5 11.546 -2.652 17.168 1.00 0.00 H new ATOM 0 HE3 LYS B 5 12.586 -4.062 17.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 12.883 -2.773 19.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 14.312 -2.766 18.240 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 13.305 -1.400 18.252 1.00 0.00 H new ATOM 638 N LYS B 6 10.702 -1.249 12.008 1.00 0.00 N ATOM 639 CA LYS B 6 10.381 -0.073 11.218 1.00 0.00 C ATOM 640 C LYS B 6 9.827 -0.510 9.861 1.00 0.00 C ATOM 641 O LYS B 6 9.038 0.245 9.275 1.00 0.00 O ATOM 642 CB LYS B 6 11.597 0.852 11.117 1.00 0.00 C ATOM 643 CG LYS B 6 12.464 0.757 12.373 1.00 0.00 C ATOM 644 CD LYS B 6 13.602 1.780 12.333 1.00 0.00 C ATOM 645 CE LYS B 6 14.270 1.910 13.703 1.00 0.00 C ATOM 646 NZ LYS B 6 14.313 3.321 14.123 1.00 0.00 N ATOM 0 H LYS B 6 11.655 -1.590 11.883 1.00 0.00 H new ATOM 0 HA LYS B 6 9.602 0.513 11.706 1.00 0.00 H new ATOM 0 HB2 LYS B 6 12.189 0.586 10.241 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.265 1.881 10.977 1.00 0.00 H new ATOM 0 HG2 LYS B 6 11.849 0.926 13.257 1.00 0.00 H new ATOM 0 HG3 LYS B 6 12.877 -0.248 12.459 1.00 0.00 H new ATOM 0 HD2 LYS B 6 14.341 1.478 11.591 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.214 2.749 12.020 1.00 0.00 H new ATOM 0 HE2 LYS B 6 13.722 1.322 14.439 1.00 0.00 H new ATOM 0 HE3 LYS B 6 15.281 1.506 13.661 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 14.769 3.392 15.055 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 14.855 3.873 13.429 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 13.344 3.695 14.182 1.00 0.00 H new ATOM 660 N LYS B 7 10.242 -1.702 9.397 1.00 0.00 N ATOM 661 CA LYS B 7 9.791 -2.232 8.121 1.00 0.00 C ATOM 662 C LYS B 7 8.263 -2.335 8.129 1.00 0.00 C ATOM 663 O LYS B 7 7.636 -1.866 7.169 1.00 0.00 O ATOM 664 CB LYS B 7 10.494 -3.554 7.811 1.00 0.00 C ATOM 665 CG LYS B 7 9.997 -4.143 6.489 1.00 0.00 C ATOM 666 CD LYS B 7 9.906 -3.064 5.408 1.00 0.00 C ATOM 667 CE LYS B 7 10.127 -3.661 4.017 1.00 0.00 C ATOM 668 NZ LYS B 7 9.663 -5.058 3.976 1.00 0.00 N ATOM 0 H LYS B 7 10.891 -2.310 9.897 1.00 0.00 H new ATOM 0 HA LYS B 7 10.062 -1.556 7.310 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.571 -3.394 7.760 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.315 -4.263 8.619 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.672 -4.934 6.162 1.00 0.00 H new ATOM 0 HG3 LYS B 7 9.018 -4.600 6.635 1.00 0.00 H new ATOM 0 HD2 LYS B 7 8.929 -2.584 5.450 1.00 0.00 H new ATOM 0 HD3 LYS B 7 10.650 -2.290 5.598 1.00 0.00 H new ATOM 0 HE2 LYS B 7 9.592 -3.072 3.273 1.00 0.00 H new ATOM 0 HE3 LYS B 7 11.185 -3.615 3.759 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 10.478 -5.697 4.071 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 8.998 -5.226 4.758 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 9.185 -5.239 3.070 1.00 0.00 H new ATOM 682 N MET B 8 7.707 -2.937 9.195 1.00 0.00 N ATOM 683 CA MET B 8 6.268 -3.099 9.323 1.00 0.00 C ATOM 684 C MET B 8 5.610 -1.721 9.412 1.00 0.00 C ATOM 685 O MET B 8 4.427 -1.608 9.058 1.00 0.00 O ATOM 686 CB MET B 8 5.933 -3.907 10.578 1.00 0.00 C ATOM 687 CG MET B 8 6.715 -3.391 11.787 1.00 0.00 C ATOM 688 SD MET B 8 5.594 -3.152 13.197 1.00 0.00 S ATOM 689 CE MET B 8 5.825 -4.737 14.056 1.00 0.00 C ATOM 0 H MET B 8 8.243 -3.316 9.976 1.00 0.00 H new ATOM 0 HA MET B 8 5.892 -3.633 8.451 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.863 -3.846 10.779 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.167 -4.958 10.411 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.500 -4.099 12.052 1.00 0.00 H new ATOM 0 HG3 MET B 8 7.206 -2.450 11.538 1.00 0.00 H new ATOM 0 HE1 MET B 8 4.927 -4.976 14.626 1.00 0.00 H new ATOM 0 HE2 MET B 8 6.011 -5.524 13.325 1.00 0.00 H new ATOM 0 HE3 MET B 8 6.676 -4.663 14.733 1.00 0.00 H new ATOM 699 N GLN B 9 6.376 -0.716 9.874 1.00 0.00 N ATOM 700 CA GLN B 9 5.870 0.639 10.008 1.00 0.00 C ATOM 701 C GLN B 9 5.970 1.351 8.657 1.00 0.00 C ATOM 702 O GLN B 9 5.230 2.322 8.446 1.00 0.00 O ATOM 703 CB GLN B 9 6.620 1.415 11.092 1.00 0.00 C ATOM 704 CG GLN B 9 6.340 0.830 12.478 1.00 0.00 C ATOM 705 CD GLN B 9 6.772 1.799 13.581 1.00 0.00 C ATOM 706 OE1 GLN B 9 6.226 2.879 13.741 1.00 0.00 O ATOM 707 NE2 GLN B 9 7.779 1.355 14.327 1.00 0.00 N ATOM 0 H GLN B 9 7.349 -0.830 10.158 1.00 0.00 H new ATOM 0 HA GLN B 9 4.825 0.593 10.316 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.691 1.386 10.890 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.320 2.463 11.068 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.276 0.612 12.576 1.00 0.00 H new ATOM 0 HG3 GLN B 9 6.871 -0.115 12.591 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.189 0.441 14.138 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.141 1.929 15.089 1.00 0.00 H new ATOM 716 N MET B 10 6.869 0.862 7.783 1.00 0.00 N ATOM 717 CA MET B 10 7.061 1.447 6.467 1.00 0.00 C ATOM 718 C MET B 10 5.951 0.964 5.532 1.00 0.00 C ATOM 719 O MET B 10 5.501 1.758 4.693 1.00 0.00 O ATOM 720 CB MET B 10 8.422 1.042 5.898 1.00 0.00 C ATOM 721 CG MET B 10 9.549 1.382 6.875 1.00 0.00 C ATOM 722 SD MET B 10 10.754 2.482 6.075 1.00 0.00 S ATOM 723 CE MET B 10 11.609 1.288 5.003 1.00 0.00 C ATOM 0 H MET B 10 7.470 0.061 7.977 1.00 0.00 H new ATOM 0 HA MET B 10 7.026 2.533 6.553 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.428 -0.028 5.688 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.591 1.554 4.951 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.139 1.863 7.763 1.00 0.00 H new ATOM 0 HG3 MET B 10 10.042 0.468 7.206 1.00 0.00 H new ATOM 0 HE1 MET B 10 12.387 1.800 4.436 1.00 0.00 H new ATOM 0 HE2 MET B 10 12.060 0.507 5.615 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.893 0.840 4.314 1.00 0.00 H new ATOM 733 N LEU B 11 5.540 -0.306 5.691 1.00 0.00 N ATOM 734 CA LEU B 11 4.494 -0.885 4.866 1.00 0.00 C ATOM 735 C LEU B 11 3.132 -0.390 5.356 1.00 0.00 C ATOM 736 O LEU B 11 2.202 -0.317 4.540 1.00 0.00 O ATOM 737 CB LEU B 11 4.619 -2.411 4.836 1.00 0.00 C ATOM 738 CG LEU B 11 5.977 -2.963 4.397 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.027 -4.484 4.558 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.312 -2.527 2.970 1.00 0.00 C ATOM 0 H LEU B 11 5.925 -0.943 6.388 1.00 0.00 H new ATOM 0 HA LEU B 11 4.600 -0.558 3.831 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.398 -2.794 5.832 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.855 -2.805 4.166 1.00 0.00 H new ATOM 0 HG LEU B 11 6.743 -2.544 5.049 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.002 -4.852 4.239 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.865 -4.745 5.604 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.249 -4.940 3.946 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.282 -2.933 2.684 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.548 -2.898 2.287 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.345 -1.439 2.920 1.00 0.00 H new ATOM 752 N LYS B 12 3.042 -0.067 6.659 1.00 0.00 N ATOM 753 CA LYS B 12 1.805 0.417 7.248 1.00 0.00 C ATOM 754 C LYS B 12 1.613 1.891 6.887 1.00 0.00 C ATOM 755 O LYS B 12 0.472 2.288 6.613 1.00 0.00 O ATOM 756 CB LYS B 12 1.787 0.145 8.754 1.00 0.00 C ATOM 757 CG LYS B 12 0.397 -0.297 9.216 1.00 0.00 C ATOM 758 CD LYS B 12 0.144 -1.765 8.866 1.00 0.00 C ATOM 759 CE LYS B 12 -0.147 -2.586 10.124 1.00 0.00 C ATOM 760 NZ LYS B 12 0.881 -2.339 11.149 1.00 0.00 N ATOM 0 H LYS B 12 3.819 -0.137 7.316 1.00 0.00 H new ATOM 0 HA LYS B 12 0.952 -0.124 6.839 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.517 -0.627 8.996 1.00 0.00 H new ATOM 0 HB3 LYS B 12 2.084 1.045 9.293 1.00 0.00 H new ATOM 0 HG2 LYS B 12 0.306 -0.155 10.293 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -0.362 0.329 8.747 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -0.697 -1.839 8.177 1.00 0.00 H new ATOM 0 HD3 LYS B 12 1.014 -2.175 8.353 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.130 -2.326 10.516 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -0.174 -3.647 9.875 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 0.857 -3.101 11.856 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 1.819 -2.312 10.701 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 0.694 -1.428 11.616 1.00 0.00 H new ATOM 774 N LEU B 13 2.717 2.660 6.894 1.00 0.00 N ATOM 775 CA LEU B 13 2.670 4.075 6.569 1.00 0.00 C ATOM 776 C LEU B 13 2.301 4.245 5.094 1.00 0.00 C ATOM 777 O LEU B 13 1.506 5.144 4.784 1.00 0.00 O ATOM 778 CB LEU B 13 3.984 4.758 6.956 1.00 0.00 C ATOM 779 CG LEU B 13 3.989 6.287 6.898 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.499 6.782 5.543 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.608 6.852 7.231 1.00 0.00 C ATOM 0 H LEU B 13 3.648 2.313 7.123 1.00 0.00 H new ATOM 0 HA LEU B 13 1.894 4.573 7.151 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.245 4.452 7.969 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.770 4.387 6.299 1.00 0.00 H new ATOM 0 HG LEU B 13 4.679 6.656 7.657 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.493 7.872 5.528 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.516 6.423 5.384 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.852 6.404 4.751 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.639 7.940 7.183 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.879 6.477 6.513 1.00 0.00 H new ATOM 0 HD23 LEU B 13 2.320 6.541 8.235 1.00 0.00 H new ATOM 793 N ASP B 14 2.874 3.390 4.228 1.00 0.00 N ATOM 794 CA ASP B 14 2.606 3.444 2.802 1.00 0.00 C ATOM 795 C ASP B 14 1.158 3.024 2.541 1.00 0.00 C ATOM 796 O ASP B 14 0.563 3.525 1.576 1.00 0.00 O ATOM 797 CB ASP B 14 3.521 2.487 2.033 1.00 0.00 C ATOM 798 CG ASP B 14 4.057 3.030 0.707 1.00 0.00 C ATOM 799 OD1 ASP B 14 5.117 3.674 0.663 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.330 2.766 -0.325 1.00 0.00 O ATOM 0 H ASP B 14 3.526 2.656 4.504 1.00 0.00 H new ATOM 0 HA ASP B 14 2.785 4.465 2.465 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.366 2.226 2.670 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.974 1.565 1.836 1.00 0.00 H new ATOM 805 N ASN B 15 0.629 2.129 3.394 1.00 0.00 N ATOM 806 CA ASN B 15 -0.736 1.650 3.257 1.00 0.00 C ATOM 807 C ASN B 15 -1.704 2.820 3.440 1.00 0.00 C ATOM 808 O ASN B 15 -2.606 2.975 2.605 1.00 0.00 O ATOM 809 CB ASN B 15 -1.059 0.599 4.321 1.00 0.00 C ATOM 810 CG ASN B 15 -2.068 -0.424 3.793 1.00 0.00 C ATOM 811 OD1 ASN B 15 -3.270 -0.288 3.951 1.00 0.00 O ATOM 812 ND2 ASN B 15 -1.512 -1.452 3.157 1.00 0.00 N ATOM 0 H ASN B 15 1.136 1.729 4.183 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.840 1.206 2.267 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.144 0.090 4.624 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.461 1.087 5.209 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -2.100 -2.188 2.766 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -0.498 -1.504 3.060 1.00 0.00 H new ATOM 819 N TYR B 16 -1.501 3.608 4.511 1.00 0.00 N ATOM 820 CA TYR B 16 -2.389 4.735 4.744 1.00 0.00 C ATOM 821 C TYR B 16 -2.353 5.665 3.530 1.00 0.00 C ATOM 822 O TYR B 16 -3.418 6.182 3.162 1.00 0.00 O ATOM 823 CB TYR B 16 -1.989 5.466 6.039 1.00 0.00 C ATOM 824 CG TYR B 16 -1.476 4.555 7.145 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.136 3.337 7.432 1.00 0.00 C ATOM 826 CD2 TYR B 16 -0.339 4.927 7.899 1.00 0.00 C ATOM 827 CE1 TYR B 16 -1.659 2.498 8.462 1.00 0.00 C ATOM 828 CE2 TYR B 16 0.138 4.088 8.927 1.00 0.00 C ATOM 829 CZ TYR B 16 -0.521 2.872 9.210 1.00 0.00 C ATOM 830 OH TYR B 16 -0.056 2.061 10.207 1.00 0.00 O ATOM 0 H TYR B 16 -0.757 3.485 5.198 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.413 4.383 4.873 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.218 6.200 5.804 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.852 6.018 6.411 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.007 3.049 6.862 1.00 0.00 H new ATOM 0 HD2 TYR B 16 0.166 5.858 7.687 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.165 1.569 8.678 1.00 0.00 H new ATOM 0 HE2 TYR B 16 1.008 4.376 9.498 1.00 0.00 H new ATOM 0 HH TYR B 16 0.734 2.469 10.619 1.00 0.00 H new ATOM 840 N HIS B 17 -1.157 5.867 2.949 1.00 0.00 N ATOM 841 CA HIS B 17 -0.997 6.736 1.797 1.00 0.00 C ATOM 842 C HIS B 17 -1.639 6.079 0.573 1.00 0.00 C ATOM 843 O HIS B 17 -2.261 6.796 -0.223 1.00 0.00 O ATOM 844 CB HIS B 17 0.476 7.088 1.577 1.00 0.00 C ATOM 845 CG HIS B 17 0.933 6.947 0.145 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.930 8.001 -0.751 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.409 5.864 -0.536 1.00 0.00 C ATOM 848 CE1 HIS B 17 1.384 7.563 -1.916 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.680 6.238 -1.781 1.00 0.00 N ATOM 0 H HIS B 17 -0.291 5.433 3.269 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.510 7.681 1.975 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.646 8.114 1.903 1.00 0.00 H new ATOM 0 HB3 HIS B 17 1.091 6.447 2.209 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.543 4.872 -0.131 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.499 8.151 -2.814 1.00 0.00 H new ATOM 0 HE2 HIS B 17 2.049 5.634 -2.516 1.00 0.00 H new ATOM 857 N LEU B 18 -1.478 4.749 0.451 1.00 0.00 N ATOM 858 CA LEU B 18 -2.038 4.006 -0.665 1.00 0.00 C ATOM 859 C LEU B 18 -3.563 3.977 -0.539 1.00 0.00 C ATOM 860 O LEU B 18 -4.241 4.059 -1.573 1.00 0.00 O ATOM 861 CB LEU B 18 -1.402 2.617 -0.757 1.00 0.00 C ATOM 862 CG LEU B 18 0.046 2.573 -1.247 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.646 1.178 -1.061 1.00 0.00 C ATOM 864 CD2 LEU B 18 0.148 3.052 -2.696 1.00 0.00 C ATOM 0 H LEU B 18 -0.962 4.176 1.119 1.00 0.00 H new ATOM 0 HA LEU B 18 -1.805 4.501 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.445 2.154 0.229 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.009 2.005 -1.424 1.00 0.00 H new ATOM 0 HG LEU B 18 0.634 3.260 -0.638 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.676 1.174 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.627 0.912 -0.004 1.00 0.00 H new ATOM 0 HD13 LEU B 18 0.063 0.453 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU B 18 1.188 3.011 -3.020 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.457 2.409 -3.335 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.214 4.078 -2.766 1.00 0.00 H new ATOM 876 N GLU B 19 -4.063 3.863 0.704 1.00 0.00 N ATOM 877 CA GLU B 19 -5.492 3.824 0.959 1.00 0.00 C ATOM 878 C GLU B 19 -6.094 5.203 0.680 1.00 0.00 C ATOM 879 O GLU B 19 -7.085 5.275 -0.062 1.00 0.00 O ATOM 880 CB GLU B 19 -5.796 3.373 2.390 1.00 0.00 C ATOM 881 CG GLU B 19 -7.049 2.495 2.434 1.00 0.00 C ATOM 882 CD GLU B 19 -6.747 1.083 1.928 1.00 0.00 C ATOM 883 OE1 GLU B 19 -5.586 0.768 1.626 1.00 0.00 O ATOM 884 OE2 GLU B 19 -7.769 0.300 1.855 1.00 0.00 O ATOM 0 H GLU B 19 -3.486 3.797 1.543 1.00 0.00 H new ATOM 0 HA GLU B 19 -5.946 3.091 0.292 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.946 2.820 2.789 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -5.936 4.246 3.028 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -7.427 2.446 3.455 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.833 2.944 1.824 1.00 0.00 H new ATOM 891 N ASN B 20 -5.492 6.252 1.268 1.00 0.00 N ATOM 892 CA ASN B 20 -5.965 7.613 1.083 1.00 0.00 C ATOM 893 C ASN B 20 -5.867 7.987 -0.397 1.00 0.00 C ATOM 894 O ASN B 20 -6.687 8.793 -0.859 1.00 0.00 O ATOM 895 CB ASN B 20 -5.114 8.605 1.878 1.00 0.00 C ATOM 896 CG ASN B 20 -5.708 8.848 3.267 1.00 0.00 C ATOM 897 OD1 ASN B 20 -6.630 9.626 3.448 1.00 0.00 O ATOM 898 ND2 ASN B 20 -5.129 8.141 4.234 1.00 0.00 N ATOM 0 H ASN B 20 -4.676 6.171 1.875 1.00 0.00 H new ATOM 0 HA ASN B 20 -6.996 7.661 1.432 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.098 8.222 1.975 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.048 9.549 1.337 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -5.453 8.233 5.197 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -4.361 7.507 4.013 1.00 0.00 H new ATOM 905 N GLU B 21 -4.881 7.402 -1.102 1.00 0.00 N ATOM 906 CA GLU B 21 -4.680 7.671 -2.515 1.00 0.00 C ATOM 907 C GLU B 21 -5.660 6.830 -3.335 1.00 0.00 C ATOM 908 O GLU B 21 -6.098 7.300 -4.394 1.00 0.00 O ATOM 909 CB GLU B 21 -3.235 7.398 -2.940 1.00 0.00 C ATOM 910 CG GLU B 21 -2.934 8.029 -4.301 1.00 0.00 C ATOM 911 CD GLU B 21 -1.711 7.377 -4.948 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.879 6.154 -5.322 1.00 0.00 O ATOM 913 OE2 GLU B 21 -0.661 8.023 -5.080 1.00 0.00 O ATOM 0 H GLU B 21 -4.216 6.740 -0.703 1.00 0.00 H new ATOM 0 HA GLU B 21 -4.871 8.728 -2.699 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.551 7.797 -2.191 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.064 6.323 -2.988 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.798 7.919 -4.956 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.759 9.098 -4.180 1.00 0.00 H new ATOM 920 N VAL B 22 -5.980 5.623 -2.836 1.00 0.00 N ATOM 921 CA VAL B 22 -6.900 4.727 -3.518 1.00 0.00 C ATOM 922 C VAL B 22 -8.335 5.204 -3.285 1.00 0.00 C ATOM 923 O VAL B 22 -9.147 5.109 -4.217 1.00 0.00 O ATOM 924 CB VAL B 22 -6.667 3.287 -3.057 1.00 0.00 C ATOM 925 CG1 VAL B 22 -7.962 2.476 -3.115 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.564 2.620 -3.880 1.00 0.00 C ATOM 0 H VAL B 22 -5.608 5.255 -1.960 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.722 4.743 -4.593 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.338 3.317 -2.018 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.768 1.456 -2.782 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -8.708 2.934 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.335 2.459 -4.139 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.418 1.597 -3.532 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -5.851 2.608 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.635 3.179 -3.764 1.00 0.00 H new ATOM 936 N ALA B 23 -8.615 5.699 -2.066 1.00 0.00 N ATOM 937 CA ALA B 23 -9.940 6.185 -1.718 1.00 0.00 C ATOM 938 C ALA B 23 -10.219 7.482 -2.480 1.00 0.00 C ATOM 939 O ALA B 23 -11.397 7.840 -2.621 1.00 0.00 O ATOM 940 CB ALA B 23 -9.982 6.544 -0.231 1.00 0.00 C ATOM 0 H ALA B 23 -7.932 5.768 -1.312 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.667 5.410 -1.961 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -10.976 6.908 0.027 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -9.754 5.659 0.363 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.246 7.321 -0.023 1.00 0.00 H new ATOM 946 N ARG B 24 -9.148 8.148 -2.949 1.00 0.00 N ATOM 947 CA ARG B 24 -9.278 9.392 -3.688 1.00 0.00 C ATOM 948 C ARG B 24 -9.402 9.081 -5.182 1.00 0.00 C ATOM 949 O ARG B 24 -10.015 9.882 -5.902 1.00 0.00 O ATOM 950 CB ARG B 24 -8.075 10.309 -3.464 1.00 0.00 C ATOM 951 CG ARG B 24 -8.290 11.204 -2.241 1.00 0.00 C ATOM 952 CD ARG B 24 -7.032 12.019 -1.930 1.00 0.00 C ATOM 953 NE ARG B 24 -7.377 13.452 -1.799 1.00 0.00 N ATOM 954 CZ ARG B 24 -7.165 14.373 -2.762 1.00 0.00 C ATOM 955 NH1 ARG B 24 -6.608 13.987 -3.919 1.00 0.00 N ATOM 956 NH2 ARG B 24 -7.506 15.654 -2.566 1.00 0.00 N ATOM 0 H ARG B 24 -8.186 7.835 -2.823 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.169 9.907 -3.329 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.176 9.709 -3.327 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -7.914 10.927 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.128 11.877 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -8.553 10.591 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.575 11.661 -1.007 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.296 11.885 -2.723 1.00 0.00 H new ATOM 0 HE ARG B 24 -7.802 13.763 -0.926 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -6.352 13.010 -4.061 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -6.441 14.670 -4.658 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -7.930 15.940 -1.683 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -7.342 16.343 -3.300 1.00 0.00 H new ATOM 970 N LEU B 25 -8.826 7.942 -5.610 1.00 0.00 N ATOM 971 CA LEU B 25 -8.872 7.533 -7.003 1.00 0.00 C ATOM 972 C LEU B 25 -10.159 6.746 -7.257 1.00 0.00 C ATOM 973 O LEU B 25 -10.758 6.926 -8.328 1.00 0.00 O ATOM 974 CB LEU B 25 -7.599 6.771 -7.380 1.00 0.00 C ATOM 975 CG LEU B 25 -6.359 7.625 -7.648 1.00 0.00 C ATOM 976 CD1 LEU B 25 -5.130 6.746 -7.892 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.605 8.600 -8.801 1.00 0.00 C ATOM 0 H LEU B 25 -8.325 7.296 -5.000 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.898 8.405 -7.656 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.367 6.072 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.806 6.177 -8.270 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.156 8.222 -6.759 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.262 7.378 -8.080 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -4.945 6.127 -7.014 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.306 6.106 -8.756 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.708 9.196 -8.971 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.847 8.041 -9.705 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.436 9.259 -8.549 1.00 0.00 H new ATOM 989 N LYS B 26 -10.552 5.904 -6.286 1.00 0.00 N ATOM 990 CA LYS B 26 -11.756 5.100 -6.404 1.00 0.00 C ATOM 991 C LYS B 26 -12.974 6.022 -6.487 1.00 0.00 C ATOM 992 O LYS B 26 -13.995 5.600 -7.049 1.00 0.00 O ATOM 993 CB LYS B 26 -11.832 4.080 -5.266 1.00 0.00 C ATOM 994 CG LYS B 26 -10.999 2.838 -5.585 1.00 0.00 C ATOM 995 CD LYS B 26 -11.811 1.560 -5.361 1.00 0.00 C ATOM 996 CE LYS B 26 -12.769 1.308 -6.527 1.00 0.00 C ATOM 997 NZ LYS B 26 -13.085 -0.125 -6.634 1.00 0.00 N ATOM 0 H LYS B 26 -10.044 5.770 -5.412 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.736 4.516 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.475 4.534 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -12.870 3.793 -5.099 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.659 2.880 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.108 2.822 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.136 0.711 -5.250 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.376 1.642 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -13.686 1.879 -6.382 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -12.320 1.658 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -13.736 -0.278 -7.430 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -12.209 -0.663 -6.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -13.533 -0.448 -5.753 1.00 0.00 H new ATOM 1011 N LYS B 27 -12.845 7.241 -5.934 1.00 0.00 N ATOM 1012 CA LYS B 27 -13.928 8.210 -5.946 1.00 0.00 C ATOM 1013 C LYS B 27 -13.962 8.914 -7.305 1.00 0.00 C ATOM 1014 O LYS B 27 -14.935 9.634 -7.571 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.803 9.168 -4.760 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.160 9.388 -4.087 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.070 10.473 -3.013 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.956 11.862 -3.645 1.00 0.00 C ATOM 1019 NZ LYS B 27 -15.986 12.761 -3.104 1.00 0.00 N ATOM 0 H LYS B 27 -11.995 7.568 -5.475 1.00 0.00 H new ATOM 0 HA LYS B 27 -14.888 7.710 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.095 8.765 -4.036 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.403 10.123 -5.100 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.899 9.673 -4.836 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.503 8.455 -3.639 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -15.952 10.431 -2.374 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -14.206 10.288 -2.375 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.966 12.276 -3.452 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -15.064 11.785 -4.727 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -15.894 13.699 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -16.929 12.373 -3.310 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -15.865 12.848 -2.075 1.00 0.00 H new ATOM 1033 N LEU B 28 -12.915 8.698 -8.121 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.826 9.309 -9.437 1.00 0.00 C ATOM 1035 C LEU B 28 -13.117 8.252 -10.504 1.00 0.00 C ATOM 1036 O LEU B 28 -13.723 8.600 -11.529 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.475 10.005 -9.614 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.525 11.442 -10.138 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.707 12.437 -8.990 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -10.290 11.761 -10.982 1.00 0.00 C ATOM 0 H LEU B 28 -12.123 8.102 -7.881 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.578 10.090 -9.547 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.961 10.007 -8.653 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.869 9.411 -10.298 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.394 11.538 -10.789 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.739 13.451 -9.389 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.639 12.223 -8.467 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.872 12.347 -8.295 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -10.351 12.788 -11.342 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.393 11.642 -10.374 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -10.245 11.081 -11.832 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.689 7.003 -10.249 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.903 5.910 -11.181 1.00 0.00 C ATOM 1054 C VAL B 29 -13.961 4.962 -10.615 1.00 0.00 C ATOM 1055 O VAL B 29 -15.038 4.849 -11.221 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.575 5.211 -11.483 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.717 4.251 -12.666 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -10.463 6.232 -11.736 1.00 0.00 C ATOM 0 H VAL B 29 -12.192 6.737 -9.399 1.00 0.00 H new ATOM 0 HA VAL B 29 -13.280 6.288 -12.131 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.299 4.624 -10.607 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.759 3.768 -12.859 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.465 3.493 -12.432 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -12.028 4.807 -13.550 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -9.530 5.709 -11.948 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.730 6.857 -12.588 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -10.335 6.858 -10.852 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.643 4.310 -9.482 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.559 3.382 -8.843 1.00 0.00 C ATOM 1070 C GLY B 30 -15.882 4.096 -8.555 1.00 0.00 C ATOM 1071 O GLY B 30 -16.831 3.426 -8.122 1.00 0.00 O ATOM 0 H GLY B 30 -12.752 4.418 -8.998 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.730 2.520 -9.488 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -14.126 3.006 -7.916 1.00 0.00 H new ATOM 1075 N GLU B 31 -15.918 5.418 -8.798 1.00 0.00 N ATOM 1076 CA GLU B 31 -17.113 6.211 -8.566 1.00 0.00 C ATOM 1077 C GLU B 31 -18.172 5.847 -9.609 1.00 0.00 C ATOM 1078 O GLU B 31 -17.905 6.019 -10.807 1.00 0.00 O ATOM 1079 CB GLU B 31 -16.807 7.710 -8.597 1.00 0.00 C ATOM 1080 CG GLU B 31 -17.888 8.474 -9.365 1.00 0.00 C ATOM 1081 CD GLU B 31 -17.784 9.979 -9.106 1.00 0.00 C ATOM 1082 OE1 GLU B 31 -17.957 10.334 -7.879 1.00 0.00 O ATOM 1083 OE2 GLU B 31 -17.551 10.755 -10.045 1.00 0.00 O ATOM 0 H GLU B 31 -15.125 5.950 -9.156 1.00 0.00 H new ATOM 0 HA GLU B 31 -17.495 5.985 -7.570 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -16.740 8.092 -7.578 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -15.837 7.877 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -17.789 8.277 -10.432 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -18.873 8.117 -9.065 1.00 0.00 H new ATOM 1090 N ARG B 32 -19.335 5.357 -9.140 1.00 0.00 N ATOM 1091 CA ARG B 32 -20.420 4.973 -10.026 1.00 0.00 C ATOM 1092 C ARG B 32 -20.811 6.170 -10.896 1.00 0.00 C ATOM 1093 O ARG B 32 -21.776 6.098 -11.657 1.00 0.00 O ATOM 1094 CB ARG B 32 -21.646 4.499 -9.242 1.00 0.00 C ATOM 1095 CG ARG B 32 -21.362 4.480 -7.739 1.00 0.00 C ATOM 1096 CD ARG B 32 -21.371 5.897 -7.162 1.00 0.00 C ATOM 1097 NE ARG B 32 -22.485 6.675 -7.748 1.00 0.00 N ATOM 1098 CZ ARG B 32 -23.420 7.323 -7.020 1.00 0.00 C ATOM 1099 NH1 ARG B 32 -23.354 7.272 -5.684 1.00 0.00 N ATOM 1100 NH2 ARG B 32 -24.399 8.009 -7.628 1.00 0.00 N ATOM 0 H ARG B 32 -19.535 5.222 -8.149 1.00 0.00 H new ATOM 0 HA ARG B 32 -20.073 4.147 -10.647 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -22.490 5.157 -9.448 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -21.931 3.501 -9.574 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -22.111 3.872 -7.231 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -20.394 4.014 -7.554 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -21.476 5.856 -6.078 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -20.422 6.390 -7.372 1.00 0.00 H new ATOM 0 HE ARG B 32 -22.551 6.725 -8.765 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -22.605 6.749 -5.230 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -24.053 7.756 -5.120 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -24.441 8.044 -8.647 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -25.102 8.496 -7.072 1.00 0.00 H new TER 1114 ARG B 32