USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 560 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 Single : A 1 GLY N :NH3+ -136:sc= 0.0137 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 165:sc= -0.0422 (180deg=-0.211) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.75 K(o=-0.75,f=-0.014) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= -0.0405 (180deg=-0.333) USER MOD Single : A 15 SER OG : rot 74:sc= 1.24 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.0838 (180deg=-0.426) USER MOD Single : A 17 ASN : amide:sc= -0.511 X(o=-0.51,f=-0.085) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 22 ASN : amide:sc= -1.05 K(o=-1.1,f=0.11) USER MOD Single : A 28 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0694) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ -136:sc= 0.0118 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 165:sc= -0.148 (180deg=-0.516) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 GLN : amide:sc= -0.71 K(o=-0.71,f=-0.013) USER MOD Single : B 9 LYS NZ :NH3+ 161:sc= -0.0461 (180deg=-0.341) USER MOD Single : B 15 SER OG : rot 73:sc= 1.23 USER MOD Single : B 16 LYS NZ :NH3+ -162:sc= -0.0697 (180deg=-0.393) USER MOD Single : B 17 ASN : amide:sc= -0.788 K(o=-0.79,f=-0.089) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : B 22 ASN : amide:sc= -1.03 K(o=-1,f=0.19) USER MOD Single : B 28 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0833) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.546 3.634 -5.108 1.00 0.00 N ATOM 2 CA GLY A 1 25.846 2.331 -5.218 1.00 0.00 C ATOM 3 C GLY A 1 24.397 2.506 -5.611 1.00 0.00 C ATOM 4 O GLY A 1 24.068 3.385 -6.406 1.00 0.00 O ATOM 0 H1 GLY A 1 27.479 3.567 -5.563 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.983 4.371 -5.579 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.667 3.879 -4.105 1.00 0.00 H new ATOM 0 HA2 GLY A 1 26.351 1.708 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.904 1.805 -4.265 1.00 0.00 H new ATOM 10 N SER A 2 23.526 1.679 -5.051 1.00 0.00 N ATOM 11 CA SER A 2 22.104 1.750 -5.351 1.00 0.00 C ATOM 12 C SER A 2 21.298 1.915 -4.066 1.00 0.00 C ATOM 13 O SER A 2 20.145 1.494 -3.982 1.00 0.00 O ATOM 14 CB SER A 2 21.662 0.484 -6.090 1.00 0.00 C ATOM 15 OG SER A 2 22.495 0.230 -7.211 1.00 0.00 O ATOM 0 H SER A 2 23.780 0.950 -4.385 1.00 0.00 H new ATOM 0 HA SER A 2 21.923 2.615 -5.989 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.693 -0.367 -5.410 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.628 0.593 -6.418 1.00 0.00 H new ATOM 0 HG SER A 2 22.193 -0.584 -7.665 1.00 0.00 H new ATOM 21 N MET A 3 21.913 2.539 -3.071 1.00 0.00 N ATOM 22 CA MET A 3 21.284 2.698 -1.766 1.00 0.00 C ATOM 23 C MET A 3 20.036 3.566 -1.883 1.00 0.00 C ATOM 24 O MET A 3 18.975 3.222 -1.362 1.00 0.00 O ATOM 25 CB MET A 3 22.266 3.325 -0.775 1.00 0.00 C ATOM 26 CG MET A 3 21.890 3.093 0.677 1.00 0.00 C ATOM 27 SD MET A 3 22.039 1.359 1.153 1.00 0.00 S ATOM 28 CE MET A 3 21.541 1.438 2.869 1.00 0.00 C ATOM 0 H MET A 3 22.847 2.944 -3.142 1.00 0.00 H new ATOM 0 HA MET A 3 20.995 1.713 -1.399 1.00 0.00 H new ATOM 0 HB2 MET A 3 23.261 2.918 -0.954 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.323 4.398 -0.961 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.530 3.700 1.317 1.00 0.00 H new ATOM 0 HG3 MET A 3 20.866 3.426 0.843 1.00 0.00 H new ATOM 0 HE1 MET A 3 21.323 0.433 3.231 1.00 0.00 H new ATOM 0 HE2 MET A 3 22.347 1.871 3.462 1.00 0.00 H new ATOM 0 HE3 MET A 3 20.649 2.058 2.961 1.00 0.00 H new ATOM 38 N LYS A 4 20.166 4.682 -2.596 1.00 0.00 N ATOM 39 CA LYS A 4 19.046 5.596 -2.801 1.00 0.00 C ATOM 40 C LYS A 4 17.947 4.955 -3.649 1.00 0.00 C ATOM 41 O LYS A 4 16.791 5.369 -3.586 1.00 0.00 O ATOM 42 CB LYS A 4 19.509 6.905 -3.448 1.00 0.00 C ATOM 43 CG LYS A 4 20.081 7.923 -2.467 1.00 0.00 C ATOM 44 CD LYS A 4 21.332 7.414 -1.770 1.00 0.00 C ATOM 45 CE LYS A 4 21.881 8.447 -0.800 1.00 0.00 C ATOM 46 NZ LYS A 4 23.086 7.954 -0.088 1.00 0.00 N ATOM 0 H LYS A 4 21.036 4.975 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 4 18.634 5.820 -1.817 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.265 6.677 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 4 18.666 7.356 -3.971 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.314 8.845 -2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 4 19.326 8.168 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.103 6.493 -1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 4 22.091 7.170 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 4 22.128 9.359 -1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 4 21.111 8.707 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 23.429 8.688 0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.845 7.098 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 23.830 7.730 -0.779 1.00 0.00 H new ATOM 60 N GLN A 5 18.305 3.940 -4.432 1.00 0.00 N ATOM 61 CA GLN A 5 17.326 3.216 -5.233 1.00 0.00 C ATOM 62 C GLN A 5 16.298 2.549 -4.327 1.00 0.00 C ATOM 63 O GLN A 5 15.092 2.646 -4.562 1.00 0.00 O ATOM 64 CB GLN A 5 18.020 2.175 -6.119 1.00 0.00 C ATOM 65 CG GLN A 5 17.062 1.278 -6.890 1.00 0.00 C ATOM 66 CD GLN A 5 16.152 2.043 -7.837 1.00 0.00 C ATOM 67 OE1 GLN A 5 15.010 1.645 -8.069 1.00 0.00 O ATOM 68 NE2 GLN A 5 16.650 3.129 -8.408 1.00 0.00 N ATOM 0 H GLN A 5 19.263 3.603 -4.528 1.00 0.00 H new ATOM 0 HA GLN A 5 16.811 3.925 -5.881 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.668 2.691 -6.828 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.662 1.552 -5.495 1.00 0.00 H new ATOM 0 HG2 GLN A 5 17.638 0.549 -7.460 1.00 0.00 H new ATOM 0 HG3 GLN A 5 16.450 0.718 -6.182 1.00 0.00 H new ATOM 0 HE21 GLN A 5 17.601 3.429 -8.192 1.00 0.00 H new ATOM 0 HE22 GLN A 5 16.083 3.666 -9.064 1.00 0.00 H new ATOM 77 N LEU A 6 16.774 1.891 -3.277 1.00 0.00 N ATOM 78 CA LEU A 6 15.876 1.264 -2.319 1.00 0.00 C ATOM 79 C LEU A 6 15.221 2.322 -1.438 1.00 0.00 C ATOM 80 O LEU A 6 14.097 2.139 -0.978 1.00 0.00 O ATOM 81 CB LEU A 6 16.583 0.214 -1.457 1.00 0.00 C ATOM 82 CG LEU A 6 17.012 -1.071 -2.179 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.119 -0.806 -3.185 1.00 0.00 C ATOM 84 CD2 LEU A 6 17.454 -2.115 -1.171 1.00 0.00 C ATOM 0 H LEU A 6 17.766 1.779 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 6 15.107 0.744 -2.890 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.468 0.672 -1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.921 -0.058 -0.635 1.00 0.00 H new ATOM 0 HG LEU A 6 16.150 -1.447 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.396 -1.739 -3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 6 17.769 -0.093 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 6 18.988 -0.395 -2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.756 -3.022 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.296 -1.731 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 6 16.628 -2.343 -0.497 1.00 0.00 H new ATOM 96 N GLU A 7 15.922 3.434 -1.214 1.00 0.00 N ATOM 97 CA GLU A 7 15.351 4.562 -0.480 1.00 0.00 C ATOM 98 C GLU A 7 14.070 5.043 -1.154 1.00 0.00 C ATOM 99 O GLU A 7 13.007 5.065 -0.531 1.00 0.00 O ATOM 100 CB GLU A 7 16.343 5.726 -0.389 1.00 0.00 C ATOM 101 CG GLU A 7 17.496 5.494 0.575 1.00 0.00 C ATOM 102 CD GLU A 7 17.052 5.459 2.026 1.00 0.00 C ATOM 103 OE1 GLU A 7 16.006 6.061 2.353 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.757 4.849 2.856 1.00 0.00 O ATOM 0 H GLU A 7 16.882 3.577 -1.529 1.00 0.00 H new ATOM 0 HA GLU A 7 15.125 4.216 0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 7 16.749 5.920 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.805 6.623 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.987 4.553 0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.236 6.283 0.445 1.00 0.00 H new ATOM 111 N ASP A 8 14.174 5.404 -2.434 1.00 0.00 N ATOM 112 CA ASP A 8 13.022 5.886 -3.195 1.00 0.00 C ATOM 113 C ASP A 8 11.930 4.825 -3.245 1.00 0.00 C ATOM 114 O ASP A 8 10.746 5.142 -3.196 1.00 0.00 O ATOM 115 CB ASP A 8 13.420 6.279 -4.623 1.00 0.00 C ATOM 116 CG ASP A 8 14.308 7.509 -4.680 1.00 0.00 C ATOM 117 OD1 ASP A 8 15.409 7.425 -5.262 1.00 0.00 O ATOM 118 OD2 ASP A 8 13.910 8.572 -4.153 1.00 0.00 O ATOM 0 H ASP A 8 15.044 5.371 -2.965 1.00 0.00 H new ATOM 0 HA ASP A 8 12.642 6.771 -2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.938 5.443 -5.092 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.518 6.463 -5.207 1.00 0.00 H new ATOM 123 N LYS A 9 12.346 3.570 -3.339 1.00 0.00 N ATOM 124 CA LYS A 9 11.429 2.433 -3.332 1.00 0.00 C ATOM 125 C LYS A 9 10.553 2.413 -2.091 1.00 0.00 C ATOM 126 O LYS A 9 9.324 2.409 -2.183 1.00 0.00 O ATOM 127 CB LYS A 9 12.218 1.142 -3.346 1.00 0.00 C ATOM 128 CG LYS A 9 12.402 0.512 -4.712 1.00 0.00 C ATOM 129 CD LYS A 9 11.077 0.080 -5.323 1.00 0.00 C ATOM 130 CE LYS A 9 11.285 -0.728 -6.594 1.00 0.00 C ATOM 131 NZ LYS A 9 11.975 -2.019 -6.325 1.00 0.00 N ATOM 0 H LYS A 9 13.328 3.309 -3.422 1.00 0.00 H new ATOM 0 HA LYS A 9 10.799 2.530 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.201 1.331 -2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.719 0.423 -2.696 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.893 1.223 -5.376 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.061 -0.352 -4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.519 -0.515 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.474 0.960 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.320 -0.923 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.871 -0.144 -7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.831 -2.663 -7.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.993 -1.848 -6.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.584 -2.449 -5.462 1.00 0.00 H new ATOM 145 N VAL A 10 11.213 2.393 -0.936 1.00 0.00 N ATOM 146 CA VAL A 10 10.542 2.300 0.356 1.00 0.00 C ATOM 147 C VAL A 10 9.564 3.446 0.477 1.00 0.00 C ATOM 148 O VAL A 10 8.473 3.320 1.030 1.00 0.00 O ATOM 149 CB VAL A 10 11.557 2.367 1.523 1.00 0.00 C ATOM 150 CG1 VAL A 10 10.846 2.374 2.867 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.534 1.205 1.450 1.00 0.00 C ATOM 0 H VAL A 10 12.230 2.441 -0.870 1.00 0.00 H new ATOM 0 HA VAL A 10 10.024 1.343 0.413 1.00 0.00 H new ATOM 0 HB VAL A 10 12.114 3.299 1.428 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.583 2.421 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.189 3.242 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.255 1.464 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.239 1.270 2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.986 0.265 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.078 1.246 0.506 1.00 0.00 H new ATOM 161 N GLU A 11 9.970 4.552 -0.110 1.00 0.00 N ATOM 162 CA GLU A 11 9.196 5.787 -0.051 1.00 0.00 C ATOM 163 C GLU A 11 7.997 5.770 -1.006 1.00 0.00 C ATOM 164 O GLU A 11 6.889 6.137 -0.608 1.00 0.00 O ATOM 165 CB GLU A 11 10.090 6.993 -0.332 1.00 0.00 C ATOM 166 CG GLU A 11 11.160 7.198 0.726 1.00 0.00 C ATOM 167 CD GLU A 11 11.912 8.500 0.558 1.00 0.00 C ATOM 168 OE1 GLU A 11 12.949 8.514 -0.139 1.00 0.00 O ATOM 169 OE2 GLU A 11 11.470 9.520 1.127 1.00 0.00 O ATOM 0 H GLU A 11 10.839 4.627 -0.639 1.00 0.00 H new ATOM 0 HA GLU A 11 8.798 5.868 0.960 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.567 6.866 -1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.473 7.889 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.697 7.176 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.866 6.369 0.687 1.00 0.00 H new ATOM 176 N GLU A 12 8.206 5.354 -2.258 1.00 0.00 N ATOM 177 CA GLU A 12 7.111 5.309 -3.230 1.00 0.00 C ATOM 178 C GLU A 12 6.008 4.361 -2.770 1.00 0.00 C ATOM 179 O GLU A 12 4.844 4.750 -2.652 1.00 0.00 O ATOM 180 CB GLU A 12 7.624 4.876 -4.605 1.00 0.00 C ATOM 181 CG GLU A 12 8.521 5.905 -5.269 1.00 0.00 C ATOM 182 CD GLU A 12 7.818 7.226 -5.494 1.00 0.00 C ATOM 183 OE1 GLU A 12 7.166 7.386 -6.545 1.00 0.00 O ATOM 184 OE2 GLU A 12 7.922 8.116 -4.627 1.00 0.00 O ATOM 0 H GLU A 12 9.110 5.048 -2.619 1.00 0.00 H new ATOM 0 HA GLU A 12 6.697 6.314 -3.306 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.173 3.940 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.772 4.675 -5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.403 6.067 -4.650 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.870 5.515 -6.225 1.00 0.00 H new ATOM 191 N LEU A 13 6.390 3.119 -2.510 1.00 0.00 N ATOM 192 CA LEU A 13 5.460 2.092 -2.051 1.00 0.00 C ATOM 193 C LEU A 13 4.712 2.517 -0.789 1.00 0.00 C ATOM 194 O LEU A 13 3.521 2.257 -0.663 1.00 0.00 O ATOM 195 CB LEU A 13 6.206 0.781 -1.795 1.00 0.00 C ATOM 196 CG LEU A 13 6.873 0.162 -3.025 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.622 -1.100 -2.639 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.841 -0.142 -4.102 1.00 0.00 C ATOM 0 H LEU A 13 7.351 2.793 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 13 4.722 1.947 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.969 0.958 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.505 0.058 -1.379 1.00 0.00 H new ATOM 0 HG LEU A 13 7.585 0.882 -3.428 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.091 -1.530 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.389 -0.857 -1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.925 -1.821 -2.212 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.337 -0.581 -4.967 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.103 -0.843 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.343 0.781 -4.399 1.00 0.00 H new ATOM 210 N LEU A 14 5.411 3.162 0.141 1.00 0.00 N ATOM 211 CA LEU A 14 4.797 3.652 1.371 1.00 0.00 C ATOM 212 C LEU A 14 3.765 4.738 1.073 1.00 0.00 C ATOM 213 O LEU A 14 2.684 4.744 1.657 1.00 0.00 O ATOM 214 CB LEU A 14 5.864 4.182 2.340 1.00 0.00 C ATOM 215 CG LEU A 14 5.335 4.726 3.670 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.699 3.617 4.496 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.454 5.400 4.448 1.00 0.00 C ATOM 0 H LEU A 14 6.409 3.358 0.065 1.00 0.00 H new ATOM 0 HA LEU A 14 4.285 2.814 1.844 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.569 3.378 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.423 4.973 1.840 1.00 0.00 H new ATOM 0 HG LEU A 14 4.566 5.468 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.331 4.029 5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.868 3.181 3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.441 2.846 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.063 5.782 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.244 4.677 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.858 6.226 3.862 1.00 0.00 H new ATOM 229 N SER A 15 4.092 5.647 0.158 1.00 0.00 N ATOM 230 CA SER A 15 3.159 6.693 -0.234 1.00 0.00 C ATOM 231 C SER A 15 1.906 6.089 -0.870 1.00 0.00 C ATOM 232 O SER A 15 0.787 6.558 -0.641 1.00 0.00 O ATOM 233 CB SER A 15 3.843 7.659 -1.199 1.00 0.00 C ATOM 234 OG SER A 15 5.032 8.182 -0.620 1.00 0.00 O ATOM 0 H SER A 15 4.991 5.679 -0.322 1.00 0.00 H new ATOM 0 HA SER A 15 2.851 7.243 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.081 7.145 -2.130 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.164 8.474 -1.449 1.00 0.00 H new ATOM 0 HG SER A 15 5.729 7.493 -0.625 1.00 0.00 H new ATOM 240 N LYS A 16 2.101 5.037 -1.656 1.00 0.00 N ATOM 241 CA LYS A 16 0.991 4.320 -2.266 1.00 0.00 C ATOM 242 C LYS A 16 0.232 3.530 -1.200 1.00 0.00 C ATOM 243 O LYS A 16 -0.999 3.540 -1.160 1.00 0.00 O ATOM 244 CB LYS A 16 1.515 3.383 -3.358 1.00 0.00 C ATOM 245 CG LYS A 16 0.427 2.747 -4.208 1.00 0.00 C ATOM 246 CD LYS A 16 -0.369 3.791 -4.975 1.00 0.00 C ATOM 247 CE LYS A 16 -1.335 3.146 -5.957 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.624 2.341 -6.987 1.00 0.00 N ATOM 0 H LYS A 16 3.021 4.662 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 16 0.306 5.036 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.188 3.942 -4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.104 2.593 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.877 2.045 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.245 2.173 -3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.924 4.414 -4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.314 4.448 -5.514 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.032 2.507 -5.414 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.927 3.920 -6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.251 2.188 -7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.229 2.849 -7.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.352 1.422 -6.583 1.00 0.00 H new ATOM 262 N ASN A 17 0.992 2.855 -0.337 1.00 0.00 N ATOM 263 CA ASN A 17 0.448 2.107 0.798 1.00 0.00 C ATOM 264 C ASN A 17 -0.491 2.979 1.624 1.00 0.00 C ATOM 265 O ASN A 17 -1.595 2.565 1.974 1.00 0.00 O ATOM 266 CB ASN A 17 1.605 1.619 1.683 1.00 0.00 C ATOM 267 CG ASN A 17 1.150 0.804 2.887 1.00 0.00 C ATOM 268 OD1 ASN A 17 0.823 1.363 3.935 1.00 0.00 O ATOM 269 ND2 ASN A 17 1.151 -0.520 2.770 1.00 0.00 N ATOM 0 H ASN A 17 2.009 2.811 -0.406 1.00 0.00 H new ATOM 0 HA ASN A 17 -0.117 1.257 0.417 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.282 1.014 1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.173 2.481 2.032 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.876 -1.102 3.561 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.427 -0.954 1.889 1.00 0.00 H new ATOM 276 N TYR A 18 -0.040 4.194 1.911 1.00 0.00 N ATOM 277 CA TYR A 18 -0.783 5.141 2.703 1.00 0.00 C ATOM 278 C TYR A 18 -2.158 5.418 2.100 1.00 0.00 C ATOM 279 O TYR A 18 -3.172 5.336 2.792 1.00 0.00 O ATOM 280 CB TYR A 18 0.044 6.419 2.802 1.00 0.00 C ATOM 281 CG TYR A 18 -0.694 7.578 3.393 1.00 0.00 C ATOM 282 CD1 TYR A 18 -1.092 8.634 2.597 1.00 0.00 C ATOM 283 CD2 TYR A 18 -0.996 7.614 4.741 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.770 9.700 3.126 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.676 8.677 5.282 1.00 0.00 C ATOM 286 CZ TYR A 18 -2.063 9.723 4.473 1.00 0.00 C ATOM 287 OH TYR A 18 -2.742 10.794 5.009 1.00 0.00 O ATOM 0 H TYR A 18 0.863 4.544 1.592 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.961 4.732 3.698 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.930 6.220 3.405 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.391 6.693 1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.865 8.619 1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.693 6.795 5.377 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.074 10.519 2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -1.907 8.693 6.337 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.869 10.653 5.970 1.00 0.00 H new ATOM 297 N HIS A 19 -2.195 5.720 0.806 1.00 0.00 N ATOM 298 CA HIS A 19 -3.455 6.045 0.150 1.00 0.00 C ATOM 299 C HIS A 19 -4.363 4.822 0.081 1.00 0.00 C ATOM 300 O HIS A 19 -5.579 4.944 0.213 1.00 0.00 O ATOM 301 CB HIS A 19 -3.225 6.614 -1.252 1.00 0.00 C ATOM 302 CG HIS A 19 -4.497 7.028 -1.933 1.00 0.00 C ATOM 303 ND1 HIS A 19 -4.798 6.698 -3.234 1.00 0.00 N ATOM 304 CD2 HIS A 19 -5.557 7.734 -1.472 1.00 0.00 C ATOM 305 CE1 HIS A 19 -5.987 7.178 -3.543 1.00 0.00 C ATOM 306 NE2 HIS A 19 -6.472 7.811 -2.491 1.00 0.00 N ATOM 0 H HIS A 19 -1.377 5.746 0.197 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.947 6.811 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.559 7.474 -1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.719 5.867 -1.863 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.662 8.158 -0.484 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.481 7.071 -4.497 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -7.377 8.280 -2.444 1.00 0.00 H new ATOM 315 N LEU A 20 -3.777 3.649 -0.125 1.00 0.00 N ATOM 316 CA LEU A 20 -4.554 2.416 -0.137 1.00 0.00 C ATOM 317 C LEU A 20 -5.207 2.208 1.218 1.00 0.00 C ATOM 318 O LEU A 20 -6.399 1.928 1.302 1.00 0.00 O ATOM 319 CB LEU A 20 -3.681 1.212 -0.484 1.00 0.00 C ATOM 320 CG LEU A 20 -3.006 1.264 -1.853 1.00 0.00 C ATOM 321 CD1 LEU A 20 -2.093 0.069 -2.027 1.00 0.00 C ATOM 322 CD2 LEU A 20 -4.044 1.303 -2.963 1.00 0.00 C ATOM 0 H LEU A 20 -2.777 3.526 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.323 2.506 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.909 1.113 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.295 0.313 -0.435 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.410 2.175 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.616 0.115 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.328 0.079 -1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.676 -0.849 -1.950 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.542 1.340 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.666 0.409 -2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.670 2.188 -2.845 1.00 0.00 H new ATOM 334 N GLU A 21 -4.416 2.381 2.272 1.00 0.00 N ATOM 335 CA GLU A 21 -4.902 2.267 3.644 1.00 0.00 C ATOM 336 C GLU A 21 -6.071 3.226 3.870 1.00 0.00 C ATOM 337 O GLU A 21 -7.042 2.894 4.554 1.00 0.00 O ATOM 338 CB GLU A 21 -3.759 2.580 4.623 1.00 0.00 C ATOM 339 CG GLU A 21 -3.539 1.533 5.710 1.00 0.00 C ATOM 340 CD GLU A 21 -4.741 1.359 6.611 1.00 0.00 C ATOM 341 OE1 GLU A 21 -5.608 0.525 6.298 1.00 0.00 O ATOM 342 OE2 GLU A 21 -4.822 2.058 7.645 1.00 0.00 O ATOM 0 H GLU A 21 -3.423 2.603 2.201 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.251 1.249 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.835 2.693 4.056 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.960 3.540 5.099 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.299 0.577 5.244 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.677 1.818 6.313 1.00 0.00 H new ATOM 349 N ASN A 22 -5.971 4.413 3.282 1.00 0.00 N ATOM 350 CA ASN A 22 -7.042 5.401 3.358 1.00 0.00 C ATOM 351 C ASN A 22 -8.299 4.886 2.666 1.00 0.00 C ATOM 352 O ASN A 22 -9.377 4.864 3.260 1.00 0.00 O ATOM 353 CB ASN A 22 -6.617 6.726 2.716 1.00 0.00 C ATOM 354 CG ASN A 22 -5.493 7.431 3.457 1.00 0.00 C ATOM 355 OD1 ASN A 22 -4.684 8.130 2.847 1.00 0.00 O ATOM 356 ND2 ASN A 22 -5.440 7.273 4.772 1.00 0.00 N ATOM 0 H ASN A 22 -5.157 4.715 2.746 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.255 5.572 4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.302 6.538 1.690 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.480 7.389 2.667 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.711 7.739 5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.128 6.686 5.243 1.00 0.00 H new ATOM 363 N GLU A 23 -8.149 4.459 1.412 1.00 0.00 N ATOM 364 CA GLU A 23 -9.279 3.983 0.616 1.00 0.00 C ATOM 365 C GLU A 23 -9.955 2.790 1.281 1.00 0.00 C ATOM 366 O GLU A 23 -11.182 2.679 1.261 1.00 0.00 O ATOM 367 CB GLU A 23 -8.824 3.606 -0.798 1.00 0.00 C ATOM 368 CG GLU A 23 -8.238 4.769 -1.584 1.00 0.00 C ATOM 369 CD GLU A 23 -9.212 5.917 -1.749 1.00 0.00 C ATOM 370 OE1 GLU A 23 -10.192 5.758 -2.502 1.00 0.00 O ATOM 371 OE2 GLU A 23 -8.991 6.986 -1.146 1.00 0.00 O ATOM 0 H GLU A 23 -7.253 4.433 0.925 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.003 4.795 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.079 2.813 -0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.674 3.200 -1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.342 5.129 -1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.929 4.417 -2.568 1.00 0.00 H new ATOM 378 N VAL A 24 -9.150 1.905 1.867 1.00 0.00 N ATOM 379 CA VAL A 24 -9.676 0.757 2.596 1.00 0.00 C ATOM 380 C VAL A 24 -10.656 1.223 3.675 1.00 0.00 C ATOM 381 O VAL A 24 -11.805 0.788 3.719 1.00 0.00 O ATOM 382 CB VAL A 24 -8.553 -0.076 3.259 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.138 -1.186 4.124 1.00 0.00 C ATOM 384 CG2 VAL A 24 -7.630 -0.669 2.207 1.00 0.00 C ATOM 0 H VAL A 24 -8.132 1.963 1.850 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.187 0.123 1.871 1.00 0.00 H new ATOM 0 HB VAL A 24 -7.974 0.593 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.329 -1.757 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.758 -0.749 4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -9.746 -1.847 3.506 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.848 -1.251 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.203 -1.317 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.176 0.134 1.627 1.00 0.00 H new ATOM 394 N ALA A 25 -10.194 2.130 4.528 1.00 0.00 N ATOM 395 CA ALA A 25 -11.017 2.669 5.608 1.00 0.00 C ATOM 396 C ALA A 25 -12.264 3.379 5.081 1.00 0.00 C ATOM 397 O ALA A 25 -13.365 3.174 5.600 1.00 0.00 O ATOM 398 CB ALA A 25 -10.202 3.621 6.466 1.00 0.00 C ATOM 0 H ALA A 25 -9.248 2.510 4.493 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.349 1.826 6.214 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.828 4.015 7.267 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.354 3.088 6.897 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.838 4.444 5.851 1.00 0.00 H new ATOM 404 N ARG A 26 -12.086 4.215 4.057 1.00 0.00 N ATOM 405 CA ARG A 26 -13.193 4.968 3.468 1.00 0.00 C ATOM 406 C ARG A 26 -14.299 4.032 3.004 1.00 0.00 C ATOM 407 O ARG A 26 -15.441 4.133 3.443 1.00 0.00 O ATOM 408 CB ARG A 26 -12.706 5.798 2.277 1.00 0.00 C ATOM 409 CG ARG A 26 -11.607 6.782 2.623 1.00 0.00 C ATOM 410 CD ARG A 26 -11.122 7.540 1.396 1.00 0.00 C ATOM 411 NE ARG A 26 -12.160 8.407 0.838 1.00 0.00 N ATOM 412 CZ ARG A 26 -12.074 9.002 -0.352 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.036 8.767 -1.147 1.00 0.00 N ATOM 414 NH2 ARG A 26 -13.044 9.813 -0.758 1.00 0.00 N ATOM 0 H ARG A 26 -11.182 4.388 3.617 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.586 5.633 4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.345 5.124 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.551 6.344 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.973 7.490 3.366 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.771 6.249 3.075 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.253 8.141 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -10.797 6.829 0.636 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.001 8.566 1.393 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.299 8.128 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.976 9.225 -2.056 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.853 9.980 -0.160 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.980 10.269 -1.668 1.00 0.00 H new ATOM 428 N LEU A 27 -13.938 3.112 2.127 1.00 0.00 N ATOM 429 CA LEU A 27 -14.895 2.165 1.563 1.00 0.00 C ATOM 430 C LEU A 27 -15.535 1.293 2.643 1.00 0.00 C ATOM 431 O LEU A 27 -16.699 0.906 2.534 1.00 0.00 O ATOM 432 CB LEU A 27 -14.194 1.290 0.526 1.00 0.00 C ATOM 433 CG LEU A 27 -13.679 2.040 -0.699 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.814 1.135 -1.554 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.837 2.593 -1.516 1.00 0.00 C ATOM 0 H LEU A 27 -12.984 2.997 1.786 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.694 2.733 1.087 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.355 0.785 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.887 0.516 0.196 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.070 2.876 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.456 1.688 -2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.962 0.787 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.401 0.278 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.448 3.124 -2.385 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.473 1.772 -1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.420 3.279 -0.902 1.00 0.00 H new ATOM 447 N LYS A 28 -14.779 1.014 3.694 1.00 0.00 N ATOM 448 CA LYS A 28 -15.223 0.120 4.750 1.00 0.00 C ATOM 449 C LYS A 28 -16.311 0.776 5.599 1.00 0.00 C ATOM 450 O LYS A 28 -17.334 0.156 5.893 1.00 0.00 O ATOM 451 CB LYS A 28 -14.029 -0.277 5.616 1.00 0.00 C ATOM 452 CG LYS A 28 -14.299 -1.431 6.565 1.00 0.00 C ATOM 453 CD LYS A 28 -13.037 -1.840 7.312 1.00 0.00 C ATOM 454 CE LYS A 28 -12.037 -2.555 6.407 1.00 0.00 C ATOM 455 NZ LYS A 28 -12.504 -3.914 6.024 1.00 0.00 N ATOM 0 H LYS A 28 -13.845 1.399 3.838 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.651 -0.775 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.197 -0.545 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.713 0.589 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.070 -1.144 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.685 -2.283 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.568 -0.955 7.741 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -13.304 -2.493 8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -11.873 -1.961 5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.077 -2.632 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.726 -4.433 5.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.813 -4.427 6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.300 -3.833 5.360 1.00 0.00 H new ATOM 469 N LYS A 29 -16.098 2.036 5.980 1.00 0.00 N ATOM 470 CA LYS A 29 -17.093 2.778 6.745 1.00 0.00 C ATOM 471 C LYS A 29 -18.332 3.062 5.899 1.00 0.00 C ATOM 472 O LYS A 29 -19.375 3.444 6.424 1.00 0.00 O ATOM 473 CB LYS A 29 -16.506 4.091 7.269 1.00 0.00 C ATOM 474 CG LYS A 29 -16.216 5.111 6.185 1.00 0.00 C ATOM 475 CD LYS A 29 -15.663 6.393 6.769 1.00 0.00 C ATOM 476 CE LYS A 29 -15.496 7.461 5.701 1.00 0.00 C ATOM 477 NZ LYS A 29 -14.898 8.708 6.245 1.00 0.00 N ATOM 0 H LYS A 29 -15.248 2.560 5.771 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.387 2.161 7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -17.200 4.527 7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -15.583 3.876 7.808 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.502 4.696 5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -17.130 5.326 5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -16.331 6.757 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -14.701 6.194 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.865 7.076 4.900 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.467 7.687 5.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.802 9.409 5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.513 9.091 6.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.960 8.499 6.642 1.00 0.00 H new ATOM 491 N LEU A 30 -18.212 2.891 4.587 1.00 0.00 N ATOM 492 CA LEU A 30 -19.343 3.087 3.694 1.00 0.00 C ATOM 493 C LEU A 30 -20.163 1.808 3.565 1.00 0.00 C ATOM 494 O LEU A 30 -21.363 1.803 3.847 1.00 0.00 O ATOM 495 CB LEU A 30 -18.872 3.542 2.311 1.00 0.00 C ATOM 496 CG LEU A 30 -18.114 4.870 2.278 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.685 5.202 0.859 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.966 5.992 2.852 1.00 0.00 C ATOM 0 H LEU A 30 -17.346 2.618 4.122 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.973 3.865 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.231 2.767 1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.742 3.624 1.659 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.222 4.769 2.896 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.147 6.150 0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -17.034 4.413 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.566 5.281 0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.407 6.927 2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.878 6.093 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.224 5.761 3.885 1.00 0.00 H new ATOM 510 N VAL A 31 -19.515 0.723 3.141 1.00 0.00 N ATOM 511 CA VAL A 31 -20.205 -0.544 2.930 1.00 0.00 C ATOM 512 C VAL A 31 -20.660 -1.190 4.249 1.00 0.00 C ATOM 513 O VAL A 31 -21.682 -1.874 4.287 1.00 0.00 O ATOM 514 CB VAL A 31 -19.319 -1.532 2.134 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.101 -1.960 2.937 1.00 0.00 C ATOM 516 CG2 VAL A 31 -20.124 -2.740 1.693 1.00 0.00 C ATOM 0 H VAL A 31 -18.516 0.698 2.938 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.099 -0.318 2.348 1.00 0.00 H new ATOM 0 HB VAL A 31 -18.962 -1.012 1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.502 -2.654 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.502 -1.084 3.185 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.424 -2.450 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.482 -3.421 1.135 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.522 -3.252 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -20.948 -2.416 1.057 1.00 0.00 H new ATOM 526 N GLY A 32 -19.919 -0.962 5.328 1.00 0.00 N ATOM 527 CA GLY A 32 -20.279 -1.546 6.603 1.00 0.00 C ATOM 528 C GLY A 32 -20.872 -0.526 7.548 1.00 0.00 C ATOM 529 O GLY A 32 -20.339 -0.286 8.633 1.00 0.00 O ATOM 0 H GLY A 32 -19.078 -0.385 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -20.996 -2.351 6.443 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -19.395 -1.992 7.060 1.00 0.00 H new ATOM 533 N GLU A 33 -21.970 0.084 7.136 1.00 0.00 N ATOM 534 CA GLU A 33 -22.632 1.094 7.942 1.00 0.00 C ATOM 535 C GLU A 33 -24.073 1.240 7.470 1.00 0.00 C ATOM 536 O GLU A 33 -24.952 0.552 8.024 1.00 0.00 O ATOM 537 CB GLU A 33 -21.877 2.430 7.825 1.00 0.00 C ATOM 538 CG GLU A 33 -21.998 3.361 9.031 1.00 0.00 C ATOM 539 CD GLU A 33 -23.417 3.803 9.316 1.00 0.00 C ATOM 540 OE1 GLU A 33 -23.863 4.802 8.716 1.00 0.00 O ATOM 541 OE2 GLU A 33 -24.090 3.160 10.148 1.00 0.00 O ATOM 542 OXT GLU A 33 -24.316 2.013 6.519 1.00 0.00 O ATOM 0 H GLU A 33 -22.424 -0.105 6.242 1.00 0.00 H new ATOM 0 HA GLU A 33 -22.633 0.795 8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -20.821 2.217 7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -22.241 2.957 6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -21.600 2.855 9.911 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -21.379 4.242 8.863 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 26.656 -3.766 5.387 1.00 0.00 N ATOM 551 CA GLY B 1 25.931 -2.480 5.516 1.00 0.00 C ATOM 552 C GLY B 1 24.488 -2.682 5.923 1.00 0.00 C ATOM 553 O GLY B 1 24.180 -3.570 6.718 1.00 0.00 O ATOM 0 H1 GLY B 1 27.592 -3.683 5.833 1.00 0.00 H new ATOM 0 H2 GLY B 1 26.114 -4.519 5.857 1.00 0.00 H new ATOM 0 H3 GLY B 1 26.772 -4.000 4.380 1.00 0.00 H new ATOM 0 HA2 GLY B 1 26.432 -1.854 6.254 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.969 -1.946 4.567 1.00 0.00 H new ATOM 559 N SER B 2 23.602 -1.864 5.382 1.00 0.00 N ATOM 560 CA SER B 2 22.186 -1.953 5.700 1.00 0.00 C ATOM 561 C SER B 2 21.368 -2.115 4.425 1.00 0.00 C ATOM 562 O SER B 2 20.210 -1.706 4.358 1.00 0.00 O ATOM 563 CB SER B 2 21.744 -0.699 6.453 1.00 0.00 C ATOM 564 OG SER B 2 22.600 -0.441 7.555 1.00 0.00 O ATOM 0 H SER B 2 23.839 -1.127 4.717 1.00 0.00 H new ATOM 0 HA SER B 2 22.020 -2.825 6.333 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.747 0.156 5.777 1.00 0.00 H new ATOM 0 HB3 SER B 2 20.720 -0.823 6.804 1.00 0.00 H new ATOM 0 HG SER B 2 22.299 0.367 8.021 1.00 0.00 H new ATOM 570 N MET B 3 21.977 -2.725 3.418 1.00 0.00 N ATOM 571 CA MET B 3 21.333 -2.881 2.121 1.00 0.00 C ATOM 572 C MET B 3 20.100 -3.767 2.246 1.00 0.00 C ATOM 573 O MET B 3 19.027 -3.437 1.741 1.00 0.00 O ATOM 574 CB MET B 3 22.309 -3.484 1.113 1.00 0.00 C ATOM 575 CG MET B 3 21.912 -3.250 -0.334 1.00 0.00 C ATOM 576 SD MET B 3 22.032 -1.513 -0.805 1.00 0.00 S ATOM 577 CE MET B 3 21.511 -1.593 -2.515 1.00 0.00 C ATOM 0 H MET B 3 22.916 -3.120 3.474 1.00 0.00 H new ATOM 0 HA MET B 3 21.025 -1.897 1.767 1.00 0.00 H new ATOM 0 HB2 MET B 3 23.300 -3.062 1.282 1.00 0.00 H new ATOM 0 HB3 MET B 3 22.385 -4.557 1.291 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.552 -3.846 -0.985 1.00 0.00 H new ATOM 0 HG3 MET B 3 20.890 -3.596 -0.489 1.00 0.00 H new ATOM 0 HE1 MET B 3 21.275 -0.590 -2.871 1.00 0.00 H new ATOM 0 HE2 MET B 3 22.314 -2.013 -3.121 1.00 0.00 H new ATOM 0 HE3 MET B 3 20.626 -2.224 -2.597 1.00 0.00 H new ATOM 587 N LYS B 4 20.257 -4.885 2.949 1.00 0.00 N ATOM 588 CA LYS B 4 19.154 -5.819 3.164 1.00 0.00 C ATOM 589 C LYS B 4 18.057 -5.200 4.029 1.00 0.00 C ATOM 590 O LYS B 4 16.907 -5.634 3.979 1.00 0.00 O ATOM 591 CB LYS B 4 19.645 -7.126 3.797 1.00 0.00 C ATOM 592 CG LYS B 4 20.215 -8.130 2.800 1.00 0.00 C ATOM 593 CD LYS B 4 21.449 -7.599 2.089 1.00 0.00 C ATOM 594 CE LYS B 4 22.005 -8.619 1.109 1.00 0.00 C ATOM 595 NZ LYS B 4 23.196 -8.101 0.388 1.00 0.00 N ATOM 0 H LYS B 4 21.137 -5.167 3.380 1.00 0.00 H new ATOM 0 HA LYS B 4 18.733 -6.045 2.184 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.410 -6.893 4.538 1.00 0.00 H new ATOM 0 HB3 LYS B 4 18.816 -7.592 4.330 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.468 -9.053 3.322 1.00 0.00 H new ATOM 0 HG3 LYS B 4 19.452 -8.379 2.062 1.00 0.00 H new ATOM 0 HD2 LYS B 4 21.198 -6.681 1.558 1.00 0.00 H new ATOM 0 HD3 LYS B 4 22.213 -7.344 2.824 1.00 0.00 H new ATOM 0 HE2 LYS B 4 22.273 -9.529 1.645 1.00 0.00 H new ATOM 0 HE3 LYS B 4 21.233 -8.889 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 23.545 -8.826 -0.271 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 22.935 -7.246 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 23.942 -7.867 1.074 1.00 0.00 H new ATOM 609 N GLN B 5 18.410 -4.186 4.815 1.00 0.00 N ATOM 610 CA GLN B 5 17.434 -3.484 5.636 1.00 0.00 C ATOM 611 C GLN B 5 16.383 -2.823 4.750 1.00 0.00 C ATOM 612 O GLN B 5 15.182 -2.936 5.001 1.00 0.00 O ATOM 613 CB GLN B 5 18.129 -2.443 6.522 1.00 0.00 C ATOM 614 CG GLN B 5 17.172 -1.562 7.312 1.00 0.00 C ATOM 615 CD GLN B 5 16.280 -2.340 8.264 1.00 0.00 C ATOM 616 OE1 GLN B 5 15.141 -1.947 8.511 1.00 0.00 O ATOM 617 NE2 GLN B 5 16.790 -3.427 8.821 1.00 0.00 N ATOM 0 H GLN B 5 19.364 -3.834 4.899 1.00 0.00 H new ATOM 0 HA GLN B 5 16.937 -4.205 6.285 1.00 0.00 H new ATOM 0 HB2 GLN B 5 18.791 -2.958 7.218 1.00 0.00 H new ATOM 0 HB3 GLN B 5 18.756 -1.809 5.896 1.00 0.00 H new ATOM 0 HG2 GLN B 5 17.748 -0.832 7.881 1.00 0.00 H new ATOM 0 HG3 GLN B 5 16.547 -1.003 6.616 1.00 0.00 H new ATOM 0 HE21 GLN B 5 17.739 -3.721 8.590 1.00 0.00 H new ATOM 0 HE22 GLN B 5 16.234 -3.971 9.481 1.00 0.00 H new ATOM 626 N LEU B 6 16.837 -2.152 3.698 1.00 0.00 N ATOM 627 CA LEU B 6 15.917 -1.532 2.756 1.00 0.00 C ATOM 628 C LEU B 6 15.264 -2.593 1.878 1.00 0.00 C ATOM 629 O LEU B 6 14.128 -2.425 1.441 1.00 0.00 O ATOM 630 CB LEU B 6 16.598 -0.467 1.892 1.00 0.00 C ATOM 631 CG LEU B 6 17.019 0.819 2.618 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.143 0.563 3.606 1.00 0.00 C ATOM 633 CD2 LEU B 6 17.432 1.877 1.611 1.00 0.00 C ATOM 0 H LEU B 6 17.825 -2.025 3.478 1.00 0.00 H new ATOM 0 HA LEU B 6 15.148 -1.026 3.340 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.483 -0.909 1.435 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.921 -0.198 1.081 1.00 0.00 H new ATOM 0 HG LEU B 6 16.159 1.179 3.183 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.413 1.496 4.100 1.00 0.00 H new ATOM 0 HD12 LEU B 6 17.814 -0.160 4.352 1.00 0.00 H new ATOM 0 HD13 LEU B 6 19.010 0.169 3.076 1.00 0.00 H new ATOM 0 HD21 LEU B 6 17.728 2.784 2.137 1.00 0.00 H new ATOM 0 HD22 LEU B 6 18.271 1.509 1.021 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.593 2.098 0.951 1.00 0.00 H new ATOM 645 N GLU B 7 15.978 -3.693 1.635 1.00 0.00 N ATOM 646 CA GLU B 7 15.412 -4.825 0.902 1.00 0.00 C ATOM 647 C GLU B 7 14.146 -5.325 1.588 1.00 0.00 C ATOM 648 O GLU B 7 13.074 -5.351 0.983 1.00 0.00 O ATOM 649 CB GLU B 7 16.418 -5.973 0.793 1.00 0.00 C ATOM 650 CG GLU B 7 17.555 -5.721 -0.186 1.00 0.00 C ATOM 651 CD GLU B 7 17.087 -5.679 -1.629 1.00 0.00 C ATOM 652 OE1 GLU B 7 16.056 -6.312 -1.948 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.755 -5.028 -2.455 1.00 0.00 O ATOM 0 H GLU B 7 16.945 -3.824 1.934 1.00 0.00 H new ATOM 0 HA GLU B 7 15.168 -4.478 -0.102 1.00 0.00 H new ATOM 0 HB2 GLU B 7 16.840 -6.165 1.779 1.00 0.00 H new ATOM 0 HB3 GLU B 7 15.888 -6.877 0.491 1.00 0.00 H new ATOM 0 HG2 GLU B 7 18.040 -4.777 0.062 1.00 0.00 H new ATOM 0 HG3 GLU B 7 18.305 -6.504 -0.074 1.00 0.00 H new ATOM 660 N ASP B 8 14.275 -5.697 2.863 1.00 0.00 N ATOM 661 CA ASP B 8 13.140 -6.200 3.638 1.00 0.00 C ATOM 662 C ASP B 8 12.035 -5.156 3.709 1.00 0.00 C ATOM 663 O ASP B 8 10.854 -5.488 3.681 1.00 0.00 O ATOM 664 CB ASP B 8 13.559 -6.592 5.060 1.00 0.00 C ATOM 665 CG ASP B 8 14.463 -7.807 5.105 1.00 0.00 C ATOM 666 OD1 ASP B 8 15.581 -7.702 5.652 1.00 0.00 O ATOM 667 OD2 ASP B 8 14.063 -8.876 4.601 1.00 0.00 O ATOM 0 H ASP B 8 15.153 -5.659 3.380 1.00 0.00 H new ATOM 0 HA ASP B 8 12.769 -7.089 3.128 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.071 -5.750 5.526 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.666 -6.790 5.653 1.00 0.00 H new ATOM 672 N LYS B 9 12.435 -3.897 3.807 1.00 0.00 N ATOM 673 CA LYS B 9 11.500 -2.775 3.821 1.00 0.00 C ATOM 674 C LYS B 9 10.605 -2.758 2.593 1.00 0.00 C ATOM 675 O LYS B 9 9.377 -2.772 2.702 1.00 0.00 O ATOM 676 CB LYS B 9 12.269 -1.471 3.835 1.00 0.00 C ATOM 677 CG LYS B 9 12.460 -0.847 5.204 1.00 0.00 C ATOM 678 CD LYS B 9 11.136 -0.442 5.835 1.00 0.00 C ATOM 679 CE LYS B 9 11.348 0.358 7.112 1.00 0.00 C ATOM 680 NZ LYS B 9 12.021 1.658 6.849 1.00 0.00 N ATOM 0 H LYS B 9 13.414 -3.622 3.879 1.00 0.00 H new ATOM 0 HA LYS B 9 10.883 -2.890 4.712 1.00 0.00 H new ATOM 0 HB2 LYS B 9 13.250 -1.642 3.391 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.751 -0.755 3.197 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.971 -1.554 5.857 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.103 0.029 5.117 1.00 0.00 H new ATOM 0 HD2 LYS B 9 10.560 0.151 5.125 1.00 0.00 H new ATOM 0 HD3 LYS B 9 10.549 -1.334 6.056 1.00 0.00 H new ATOM 0 HE2 LYS B 9 10.386 0.538 7.591 1.00 0.00 H new ATOM 0 HE3 LYS B 9 11.947 -0.226 7.810 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 11.864 2.299 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.042 1.502 6.725 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 11.629 2.083 5.985 1.00 0.00 H new ATOM 694 N VAL B 10 11.249 -2.719 1.429 1.00 0.00 N ATOM 695 CA VAL B 10 10.560 -2.627 0.147 1.00 0.00 C ATOM 696 C VAL B 10 9.597 -3.788 0.031 1.00 0.00 C ATOM 697 O VAL B 10 8.497 -3.674 -0.504 1.00 0.00 O ATOM 698 CB VAL B 10 11.562 -2.671 -1.032 1.00 0.00 C ATOM 699 CG1 VAL B 10 10.835 -2.683 -2.368 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.522 -1.495 -0.965 1.00 0.00 C ATOM 0 H VAL B 10 12.265 -2.750 1.349 1.00 0.00 H new ATOM 0 HA VAL B 10 10.026 -1.678 0.102 1.00 0.00 H new ATOM 0 HB VAL B 10 12.135 -3.594 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.563 -2.714 -3.178 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.192 -3.561 -2.424 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.228 -1.782 -2.460 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.218 -1.545 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL B 10 11.959 -0.563 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.078 -1.532 -0.029 1.00 0.00 H new ATOM 710 N GLU B 11 10.028 -4.893 0.603 1.00 0.00 N ATOM 711 CA GLU B 11 9.270 -6.138 0.545 1.00 0.00 C ATOM 712 C GLU B 11 8.087 -6.147 1.520 1.00 0.00 C ATOM 713 O GLU B 11 6.978 -6.529 1.139 1.00 0.00 O ATOM 714 CB GLU B 11 10.186 -7.333 0.800 1.00 0.00 C ATOM 715 CG GLU B 11 11.247 -7.505 -0.273 1.00 0.00 C ATOM 716 CD GLU B 11 12.036 -8.785 -0.124 1.00 0.00 C ATOM 717 OE1 GLU B 11 13.083 -8.771 0.550 1.00 0.00 O ATOM 718 OE2 GLU B 11 11.616 -9.814 -0.699 1.00 0.00 O ATOM 0 H GLU B 11 10.906 -4.960 1.119 1.00 0.00 H new ATOM 0 HA GLU B 11 8.855 -6.216 -0.460 1.00 0.00 H new ATOM 0 HB2 GLU B 11 10.672 -7.212 1.768 1.00 0.00 H new ATOM 0 HB3 GLU B 11 9.584 -8.240 0.857 1.00 0.00 H new ATOM 0 HG2 GLU B 11 10.770 -7.491 -1.253 1.00 0.00 H new ATOM 0 HG3 GLU B 11 11.931 -6.657 -0.239 1.00 0.00 H new ATOM 725 N GLU B 12 8.307 -5.738 2.771 1.00 0.00 N ATOM 726 CA GLU B 12 7.226 -5.715 3.758 1.00 0.00 C ATOM 727 C GLU B 12 6.101 -4.779 3.321 1.00 0.00 C ATOM 728 O GLU B 12 4.940 -5.183 3.218 1.00 0.00 O ATOM 729 CB GLU B 12 7.753 -5.286 5.128 1.00 0.00 C ATOM 730 CG GLU B 12 8.678 -6.304 5.771 1.00 0.00 C ATOM 731 CD GLU B 12 8.000 -7.638 6.002 1.00 0.00 C ATOM 732 OE1 GLU B 12 7.335 -7.796 7.046 1.00 0.00 O ATOM 733 OE2 GLU B 12 8.126 -8.534 5.143 1.00 0.00 O ATOM 0 H GLU B 12 9.211 -5.422 3.121 1.00 0.00 H new ATOM 0 HA GLU B 12 6.827 -6.727 3.832 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.284 -4.340 5.023 1.00 0.00 H new ATOM 0 HB3 GLU B 12 6.908 -5.105 5.792 1.00 0.00 H new ATOM 0 HG2 GLU B 12 9.551 -6.449 5.135 1.00 0.00 H new ATOM 0 HG3 GLU B 12 9.038 -5.913 6.723 1.00 0.00 H new ATOM 740 N LEU B 13 6.462 -3.531 3.065 1.00 0.00 N ATOM 741 CA LEU B 13 5.512 -2.514 2.624 1.00 0.00 C ATOM 742 C LEU B 13 4.753 -2.942 1.369 1.00 0.00 C ATOM 743 O LEU B 13 3.556 -2.700 1.263 1.00 0.00 O ATOM 744 CB LEU B 13 6.233 -1.190 2.368 1.00 0.00 C ATOM 745 CG LEU B 13 6.908 -0.570 3.593 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.633 0.706 3.207 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.885 -0.291 4.686 1.00 0.00 C ATOM 0 H LEU B 13 7.420 -3.192 3.156 1.00 0.00 H new ATOM 0 HA LEU B 13 4.783 -2.385 3.424 1.00 0.00 H new ATOM 0 HB2 LEU B 13 6.988 -1.349 1.598 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.515 -0.475 1.968 1.00 0.00 H new ATOM 0 HG LEU B 13 7.638 -1.281 3.981 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.108 1.136 4.089 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.393 0.481 2.459 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.919 1.420 2.796 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.385 0.150 5.548 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.131 0.401 4.311 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.405 -1.224 4.982 1.00 0.00 H new ATOM 759 N LEU B 14 5.448 -3.569 0.424 1.00 0.00 N ATOM 760 CA LEU B 14 4.823 -4.058 -0.801 1.00 0.00 C ATOM 761 C LEU B 14 3.811 -5.161 -0.496 1.00 0.00 C ATOM 762 O LEU B 14 2.721 -5.177 -1.063 1.00 0.00 O ATOM 763 CB LEU B 14 5.883 -4.566 -1.787 1.00 0.00 C ATOM 764 CG LEU B 14 5.344 -5.106 -3.115 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.684 -3.999 -3.923 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.462 -5.758 -3.914 1.00 0.00 C ATOM 0 H LEU B 14 6.450 -3.751 0.484 1.00 0.00 H new ATOM 0 HA LEU B 14 4.293 -3.224 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU B 14 6.575 -3.752 -2.000 1.00 0.00 H new ATOM 0 HB3 LEU B 14 6.458 -5.354 -1.301 1.00 0.00 H new ATOM 0 HG LEU B 14 4.588 -5.860 -2.896 1.00 0.00 H new ATOM 0 HD11 LEU B 14 4.309 -4.407 -4.862 1.00 0.00 H new ATOM 0 HD12 LEU B 14 3.855 -3.578 -3.354 1.00 0.00 H new ATOM 0 HD13 LEU B 14 5.414 -3.217 -4.133 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.063 -6.137 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU B 14 7.239 -5.022 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU B 14 6.885 -6.583 -3.341 1.00 0.00 H new ATOM 778 N SER B 15 4.163 -6.072 0.408 1.00 0.00 N ATOM 779 CA SER B 15 3.250 -7.135 0.805 1.00 0.00 C ATOM 780 C SER B 15 1.999 -6.550 1.463 1.00 0.00 C ATOM 781 O SER B 15 0.885 -7.031 1.249 1.00 0.00 O ATOM 782 CB SER B 15 3.959 -8.101 1.753 1.00 0.00 C ATOM 783 OG SER B 15 5.146 -8.601 1.158 1.00 0.00 O ATOM 0 H SER B 15 5.069 -6.094 0.876 1.00 0.00 H new ATOM 0 HA SER B 15 2.938 -7.683 -0.084 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.200 -7.592 2.687 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.294 -8.928 2.003 1.00 0.00 H new ATOM 0 HG SER B 15 5.828 -7.897 1.146 1.00 0.00 H new ATOM 789 N LYS B 16 2.191 -5.501 2.253 1.00 0.00 N ATOM 790 CA LYS B 16 1.079 -4.805 2.882 1.00 0.00 C ATOM 791 C LYS B 16 0.294 -4.019 1.831 1.00 0.00 C ATOM 792 O LYS B 16 -0.937 -4.046 1.810 1.00 0.00 O ATOM 793 CB LYS B 16 1.602 -3.868 3.974 1.00 0.00 C ATOM 794 CG LYS B 16 0.514 -3.254 4.840 1.00 0.00 C ATOM 795 CD LYS B 16 -0.252 -4.318 5.611 1.00 0.00 C ATOM 796 CE LYS B 16 -1.215 -3.702 6.614 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.501 -2.906 7.647 1.00 0.00 N ATOM 0 H LYS B 16 3.109 -5.114 2.473 1.00 0.00 H new ATOM 0 HA LYS B 16 0.411 -5.535 3.340 1.00 0.00 H new ATOM 0 HB2 LYS B 16 2.291 -4.421 4.613 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.174 -3.067 3.506 1.00 0.00 H new ATOM 0 HG2 LYS B 16 0.960 -2.547 5.539 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -0.176 -2.690 4.213 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -0.806 -4.945 4.913 1.00 0.00 H new ATOM 0 HD3 LYS B 16 0.452 -4.966 6.133 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.926 -3.063 6.090 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.791 -4.491 7.097 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -1.126 -2.760 8.466 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.353 -3.417 7.950 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -0.230 -1.984 7.249 1.00 0.00 H new ATOM 811 N ASN B 17 1.031 -3.327 0.963 1.00 0.00 N ATOM 812 CA ASN B 17 0.462 -2.581 -0.159 1.00 0.00 C ATOM 813 C ASN B 17 -0.476 -3.462 -0.978 1.00 0.00 C ATOM 814 O ASN B 17 -1.593 -3.065 -1.306 1.00 0.00 O ATOM 815 CB ASN B 17 1.600 -2.069 -1.054 1.00 0.00 C ATOM 816 CG ASN B 17 1.118 -1.256 -2.247 1.00 0.00 C ATOM 817 OD1 ASN B 17 0.786 -1.813 -3.291 1.00 0.00 O ATOM 818 ND2 ASN B 17 1.101 0.067 -2.122 1.00 0.00 N ATOM 0 H ASN B 17 2.048 -3.268 1.019 1.00 0.00 H new ATOM 0 HA ASN B 17 -0.112 -1.741 0.234 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.274 -1.456 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.178 -2.920 -1.414 1.00 0.00 H new ATOM 0 HD21 ASN B 17 0.807 0.650 -2.906 1.00 0.00 H new ATOM 0 HD22 ASN B 17 1.382 0.500 -1.242 1.00 0.00 H new ATOM 825 N TYR B 18 -0.009 -4.667 -1.281 1.00 0.00 N ATOM 826 CA TYR B 18 -0.748 -5.620 -2.068 1.00 0.00 C ATOM 827 C TYR B 18 -2.111 -5.923 -1.450 1.00 0.00 C ATOM 828 O TYR B 18 -3.134 -5.857 -2.132 1.00 0.00 O ATOM 829 CB TYR B 18 0.095 -6.886 -2.189 1.00 0.00 C ATOM 830 CG TYR B 18 -0.635 -8.050 -2.781 1.00 0.00 C ATOM 831 CD1 TYR B 18 -1.009 -9.118 -1.990 1.00 0.00 C ATOM 832 CD2 TYR B 18 -0.954 -8.078 -4.125 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.683 -10.188 -2.521 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.629 -9.144 -4.668 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.993 -10.201 -3.864 1.00 0.00 C ATOM 836 OH TYR B 18 -2.670 -11.272 -4.403 1.00 0.00 O ATOM 0 H TYR B 18 0.905 -5.004 -0.979 1.00 0.00 H new ATOM 0 HA TYR B 18 -0.944 -5.205 -3.056 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.970 -6.670 -2.801 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.459 -7.164 -1.200 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.767 -9.111 -0.937 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.669 -7.250 -4.757 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.969 -11.016 -1.890 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -1.873 -9.153 -5.720 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.810 -11.122 -5.361 1.00 0.00 H new ATOM 846 N HIS B 19 -2.129 -6.234 -0.157 1.00 0.00 N ATOM 847 CA HIS B 19 -3.376 -6.581 0.513 1.00 0.00 C ATOM 848 C HIS B 19 -4.300 -5.372 0.601 1.00 0.00 C ATOM 849 O HIS B 19 -5.515 -5.511 0.479 1.00 0.00 O ATOM 850 CB HIS B 19 -3.123 -7.155 1.910 1.00 0.00 C ATOM 851 CG HIS B 19 -4.382 -7.586 2.606 1.00 0.00 C ATOM 852 ND1 HIS B 19 -4.671 -7.274 3.915 1.00 0.00 N ATOM 853 CD2 HIS B 19 -5.439 -8.300 2.152 1.00 0.00 C ATOM 854 CE1 HIS B 19 -5.851 -7.774 4.233 1.00 0.00 C ATOM 855 NE2 HIS B 19 -6.338 -8.400 3.180 1.00 0.00 N ATOM 0 H HIS B 19 -1.303 -6.253 0.441 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.862 -7.351 -0.086 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -2.449 -8.008 1.829 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.617 -6.405 2.518 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -5.552 -8.714 1.161 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -6.336 -7.685 5.194 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -7.237 -8.880 3.138 1.00 0.00 H new ATOM 864 N LEU B 20 -3.730 -4.192 0.811 1.00 0.00 N ATOM 865 CA LEU B 20 -4.525 -2.972 0.844 1.00 0.00 C ATOM 866 C LEU B 20 -5.200 -2.763 -0.502 1.00 0.00 C ATOM 867 O LEU B 20 -6.397 -2.502 -0.569 1.00 0.00 O ATOM 868 CB LEU B 20 -3.663 -1.759 1.188 1.00 0.00 C ATOM 869 CG LEU B 20 -2.971 -1.807 2.549 1.00 0.00 C ATOM 870 CD1 LEU B 20 -2.072 -0.600 2.719 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.995 -1.870 3.672 1.00 0.00 C ATOM 0 H LEU B 20 -2.730 -4.055 0.960 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.282 -3.079 1.620 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -2.901 -1.646 0.417 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.289 -0.868 1.150 1.00 0.00 H new ATOM 0 HG LEU B 20 -2.361 -2.709 2.595 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -1.584 -0.644 3.693 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -1.316 -0.596 1.934 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -2.668 0.310 2.653 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.480 -1.904 4.632 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -4.633 -0.987 3.633 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -4.607 -2.765 3.557 1.00 0.00 H new ATOM 883 N GLU B 21 -4.420 -2.914 -1.569 1.00 0.00 N ATOM 884 CA GLU B 21 -4.927 -2.798 -2.933 1.00 0.00 C ATOM 885 C GLU B 21 -6.084 -3.775 -3.152 1.00 0.00 C ATOM 886 O GLU B 21 -7.067 -3.454 -3.824 1.00 0.00 O ATOM 887 CB GLU B 21 -3.793 -3.086 -3.929 1.00 0.00 C ATOM 888 CG GLU B 21 -3.599 -2.028 -5.011 1.00 0.00 C ATOM 889 CD GLU B 21 -4.809 -1.861 -5.900 1.00 0.00 C ATOM 890 OE1 GLU B 21 -5.672 -1.016 -5.594 1.00 0.00 O ATOM 891 OE2 GLU B 21 -4.898 -2.573 -6.924 1.00 0.00 O ATOM 0 H GLU B 21 -3.422 -3.119 -1.513 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.295 -1.785 -3.093 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.861 -3.191 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.988 -4.044 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.367 -1.073 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -2.739 -2.298 -5.624 1.00 0.00 H new ATOM 898 N ASN B 22 -5.958 -4.964 -2.573 1.00 0.00 N ATOM 899 CA ASN B 22 -7.016 -5.968 -2.641 1.00 0.00 C ATOM 900 C ASN B 22 -8.270 -5.477 -1.926 1.00 0.00 C ATOM 901 O ASN B 22 -9.356 -5.469 -2.504 1.00 0.00 O ATOM 902 CB ASN B 22 -6.564 -7.294 -2.016 1.00 0.00 C ATOM 903 CG ASN B 22 -5.438 -7.976 -2.776 1.00 0.00 C ATOM 904 OD1 ASN B 22 -4.612 -8.669 -2.181 1.00 0.00 O ATOM 905 ND2 ASN B 22 -5.402 -7.805 -4.091 1.00 0.00 N ATOM 0 H ASN B 22 -5.133 -5.257 -2.050 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.241 -6.134 -3.695 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.240 -7.111 -0.992 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.417 -7.970 -1.964 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.673 -8.255 -4.644 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -6.104 -7.223 -4.549 1.00 0.00 H new ATOM 912 N GLU B 23 -8.108 -5.055 -0.672 1.00 0.00 N ATOM 913 CA GLU B 23 -9.235 -4.602 0.143 1.00 0.00 C ATOM 914 C GLU B 23 -9.938 -3.415 -0.505 1.00 0.00 C ATOM 915 O GLU B 23 -11.167 -3.324 -0.473 1.00 0.00 O ATOM 916 CB GLU B 23 -8.769 -4.228 1.555 1.00 0.00 C ATOM 917 CG GLU B 23 -8.159 -5.390 2.322 1.00 0.00 C ATOM 918 CD GLU B 23 -9.113 -6.558 2.468 1.00 0.00 C ATOM 919 OE1 GLU B 23 -10.104 -6.432 3.216 1.00 0.00 O ATOM 920 OE2 GLU B 23 -8.869 -7.614 1.845 1.00 0.00 O ATOM 0 H GLU B 23 -7.206 -5.017 -0.198 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.944 -5.427 0.214 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -8.036 -3.424 1.486 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.617 -3.838 2.117 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -7.257 -5.725 1.810 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.856 -5.048 3.311 1.00 0.00 H new ATOM 927 N VAL B 24 -9.154 -2.514 -1.096 1.00 0.00 N ATOM 928 CA VAL B 24 -9.705 -1.369 -1.810 1.00 0.00 C ATOM 929 C VAL B 24 -10.694 -1.840 -2.879 1.00 0.00 C ATOM 930 O VAL B 24 -11.848 -1.418 -2.904 1.00 0.00 O ATOM 931 CB VAL B 24 -8.603 -0.515 -2.483 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.216 0.591 -3.333 1.00 0.00 C ATOM 933 CG2 VAL B 24 -7.675 0.083 -1.438 1.00 0.00 C ATOM 0 H VAL B 24 -8.135 -2.557 -1.093 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.214 -0.748 -1.073 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.022 -1.169 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.422 1.177 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -9.840 0.149 -4.110 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -9.825 1.239 -2.703 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -6.908 0.679 -1.931 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.249 0.717 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.202 -0.718 -0.870 1.00 0.00 H new ATOM 943 N ALA B 25 -10.232 -2.734 -3.748 1.00 0.00 N ATOM 944 CA ALA B 25 -11.064 -3.276 -4.819 1.00 0.00 C ATOM 945 C ALA B 25 -12.294 -4.004 -4.274 1.00 0.00 C ATOM 946 O ALA B 25 -13.409 -3.796 -4.760 1.00 0.00 O ATOM 947 CB ALA B 25 -10.249 -4.211 -5.695 1.00 0.00 C ATOM 0 H ALA B 25 -9.280 -3.101 -3.731 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.417 -2.436 -5.417 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.881 -4.608 -6.489 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.415 -3.664 -6.134 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.865 -5.033 -5.091 1.00 0.00 H new ATOM 953 N ARG B 26 -12.088 -4.849 -3.263 1.00 0.00 N ATOM 954 CA ARG B 26 -13.175 -5.624 -2.663 1.00 0.00 C ATOM 955 C ARG B 26 -14.287 -4.708 -2.175 1.00 0.00 C ATOM 956 O ARG B 26 -15.438 -4.826 -2.591 1.00 0.00 O ATOM 957 CB ARG B 26 -12.658 -6.456 -1.486 1.00 0.00 C ATOM 958 CG ARG B 26 -11.550 -7.422 -1.856 1.00 0.00 C ATOM 959 CD ARG B 26 -11.035 -8.180 -0.642 1.00 0.00 C ATOM 960 NE ARG B 26 -12.050 -9.067 -0.074 1.00 0.00 N ATOM 961 CZ ARG B 26 -11.938 -9.666 1.113 1.00 0.00 C ATOM 962 NH1 ARG B 26 -10.895 -9.420 1.898 1.00 0.00 N ATOM 963 NH2 ARG B 26 -12.886 -10.500 1.526 1.00 0.00 N ATOM 0 H ARG B 26 -11.174 -5.015 -2.841 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.570 -6.289 -3.431 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.295 -5.783 -0.709 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.488 -7.018 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -11.918 -8.131 -2.598 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -10.729 -6.874 -2.318 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -10.160 -8.766 -0.925 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -10.710 -7.469 0.117 1.00 0.00 H new ATOM 0 HE ARG B 26 -12.895 -9.238 -0.619 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -10.171 -8.768 1.595 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -10.818 -9.883 2.804 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -13.698 -10.682 0.936 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -12.802 -10.959 2.433 1.00 0.00 H new ATOM 977 N LEU B 27 -13.926 -3.787 -1.299 1.00 0.00 N ATOM 978 CA LEU B 27 -14.887 -2.858 -0.714 1.00 0.00 C ATOM 979 C LEU B 27 -15.554 -1.988 -1.779 1.00 0.00 C ATOM 980 O LEU B 27 -16.723 -1.619 -1.651 1.00 0.00 O ATOM 981 CB LEU B 27 -14.183 -1.980 0.319 1.00 0.00 C ATOM 982 CG LEU B 27 -13.640 -2.730 1.532 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.778 -1.819 2.383 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.779 -3.306 2.358 1.00 0.00 C ATOM 0 H LEU B 27 -12.968 -3.659 -0.973 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.671 -3.440 -0.230 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.358 -1.460 -0.168 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -14.881 -1.217 0.664 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.021 -3.553 1.175 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.401 -2.373 3.242 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -11.939 -1.454 1.790 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.373 -0.974 2.729 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.372 -3.837 3.218 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.424 -2.497 2.702 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.359 -3.997 1.746 1.00 0.00 H new ATOM 996 N LYS B 28 -14.818 -1.693 -2.840 1.00 0.00 N ATOM 997 CA LYS B 28 -15.290 -0.798 -3.885 1.00 0.00 C ATOM 998 C LYS B 28 -16.378 -1.463 -4.727 1.00 0.00 C ATOM 999 O LYS B 28 -17.406 -0.848 -5.018 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.114 -0.376 -4.762 1.00 0.00 C ATOM 1001 CG LYS B 28 -14.414 0.782 -5.700 1.00 0.00 C ATOM 1002 CD LYS B 28 -13.170 1.212 -6.462 1.00 0.00 C ATOM 1003 CE LYS B 28 -12.169 1.937 -5.566 1.00 0.00 C ATOM 1004 NZ LYS B 28 -12.653 3.283 -5.167 1.00 0.00 N ATOM 0 H LYS B 28 -13.882 -2.065 -3.000 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.727 0.086 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.278 -0.100 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.792 -1.233 -5.354 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -15.192 0.490 -6.405 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -14.802 1.625 -5.128 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -12.694 0.336 -6.902 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -13.458 1.865 -7.286 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.982 1.340 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -11.218 2.034 -6.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.877 3.812 -4.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.983 3.797 -6.009 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -13.438 3.184 -4.492 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.156 -2.720 -5.113 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.151 -3.473 -5.869 1.00 0.00 C ATOM 1020 C LYS B 29 -18.373 -3.786 -5.006 1.00 0.00 C ATOM 1021 O LYS B 29 -19.415 -4.191 -5.515 1.00 0.00 O ATOM 1022 CB LYS B 29 -16.550 -4.769 -6.414 1.00 0.00 C ATOM 1023 CG LYS B 29 -16.232 -5.793 -5.343 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.674 -7.065 -5.944 1.00 0.00 C ATOM 1025 CE LYS B 29 -15.472 -8.136 -4.884 1.00 0.00 C ATOM 1026 NZ LYS B 29 -14.862 -9.366 -5.447 1.00 0.00 N ATOM 0 H LYS B 29 -15.298 -3.235 -4.914 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.469 -2.854 -6.708 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -17.245 -5.209 -7.129 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -15.637 -4.533 -6.961 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.512 -5.375 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -17.135 -6.022 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.353 -7.435 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.724 -6.852 -6.434 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.835 -7.745 -4.091 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -16.432 -8.382 -4.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.741 -10.071 -4.692 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -15.482 -9.754 -6.187 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.935 -9.137 -5.858 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.238 -3.613 -3.696 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.354 -3.831 -2.789 1.00 0.00 C ATOM 1042 C LEU B 30 -20.189 -2.562 -2.640 1.00 0.00 C ATOM 1043 O LEU B 30 -21.391 -2.570 -2.905 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.857 -4.290 -1.417 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.080 -5.607 -1.407 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.625 -5.940 0.003 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.926 -6.736 -1.976 1.00 0.00 C ATOM 0 H LEU B 30 -17.371 -3.324 -3.242 1.00 0.00 H new ATOM 0 HA LEU B 30 -19.981 -4.614 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.221 -3.509 -1.000 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.716 -4.389 -0.753 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.199 -5.492 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -17.073 -6.880 -0.005 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -16.980 -5.144 0.375 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.495 -6.035 0.653 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.354 -7.663 -1.959 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.827 -6.855 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.205 -6.500 -3.003 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.551 -1.473 -2.219 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.257 -0.218 -1.990 1.00 0.00 C ATOM 1061 C VAL B 31 -20.739 0.428 -3.300 1.00 0.00 C ATOM 1062 O VAL B 31 -21.777 1.090 -3.324 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.375 0.778 -1.201 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.175 1.229 -2.016 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -20.193 1.969 -0.741 1.00 0.00 C ATOM 0 H VAL B 31 -18.549 -1.435 -2.030 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.139 -0.460 -1.397 1.00 0.00 H new ATOM 0 HB VAL B 31 -18.996 0.259 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.579 1.928 -1.429 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -17.567 0.363 -2.277 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -18.518 1.720 -2.927 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -19.554 2.657 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -20.612 2.480 -1.608 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -21.002 1.627 -0.096 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.010 0.218 -4.392 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.394 0.808 -5.656 1.00 0.00 C ATOM 1077 C GLY B 32 -20.984 -0.211 -6.604 1.00 0.00 C ATOM 1078 O GLY B 32 -20.460 -0.425 -7.701 1.00 0.00 O ATOM 0 H GLY B 32 -19.163 -0.349 -4.422 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -21.120 1.601 -5.479 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -19.523 1.271 -6.119 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.066 -0.846 -6.178 1.00 0.00 N ATOM 1083 CA GLU B 33 -22.724 -1.862 -6.980 1.00 0.00 C ATOM 1084 C GLU B 33 -24.156 -2.043 -6.485 1.00 0.00 C ATOM 1085 O GLU B 33 -25.061 -1.374 -7.022 1.00 0.00 O ATOM 1086 CB GLU B 33 -21.944 -3.183 -6.887 1.00 0.00 C ATOM 1087 CG GLU B 33 -22.072 -4.106 -8.097 1.00 0.00 C ATOM 1088 CD GLU B 33 -23.492 -4.556 -8.361 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -23.930 -5.547 -7.742 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -24.169 -3.932 -9.203 1.00 0.00 O ATOM 1091 OXT GLU B 33 -24.364 -2.824 -5.532 1.00 0.00 O ATOM 0 H GLU B 33 -22.508 -0.673 -5.275 1.00 0.00 H new ATOM 0 HA GLU B 33 -22.749 -1.552 -8.025 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -20.889 -2.953 -6.737 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -22.281 -3.723 -6.002 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -21.692 -3.591 -8.979 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -21.443 -4.983 -7.944 1.00 0.00 H new TER 1098 GLU B 33