USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 79 HIS : no HD1:sc= -1.67! X(o=-3!,f=-3.3) USER MOD Set 1.2: B 9 ASN : amide:sc= -1.38 K(o=-3,f=-6.1!) USER MOD Set 2.1: A 52 ASN :FLIP amide:sc= -3.2! C(o=-13!,f=-7.9!) USER MOD Set 2.2: B 16 SER OG : rot 113:sc= -4.73! USER MOD Single : A 8 THR OG1 : rot 180:sc=-0.00758 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -113:sc= -4.97! (180deg=-12.9!) USER MOD Single : A 14 SER OG : rot -9:sc= 1.02 USER MOD Single : A 18 GLN : amide:sc= 0.00854 K(o=0.0085,f=-5.5!) USER MOD Single : A 20 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.0044) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -2.03! C(o=-2!,f=-5.1!) USER MOD Single : A 23 MET CE :methyl -163:sc= -0.0528 (180deg=-0.27) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HD1:sc= -7.33! C(o=-9.1!,f=-7.3!) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -3.19! (180deg=-3.35) USER MOD Single : A 44 THR OG1 : rot 77:sc= 0.953 USER MOD Single : A 46 MET CE :methyl -133:sc= -0.0284 (180deg=-2.33!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.44 X(o=-0.44,f=-0.91) USER MOD Single : A 58 MET CE :methyl 162:sc= -5.59! (180deg=-6.38!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 83:sc= 0.205 USER MOD Single : A 68 LYS NZ :NH3+ -132:sc= 0.973 (180deg=-0.16) USER MOD Single : A 77 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.15) USER MOD Single : B 5 LYS NZ :NH3+ 151:sc= -0.0276 (180deg=-1.21) USER MOD Single : B 7 SER OG : rot 108:sc= 0.793 USER MOD Single : B 14 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= -1.6! USER MOD ----------------------------------------------------------------- ATOM 94 N THR A 8 -3.377 -7.353 -12.209 1.00 0.00 N ATOM 95 CA THR A 8 -4.265 -6.254 -11.860 1.00 0.00 C ATOM 96 C THR A 8 -5.303 -6.040 -12.949 1.00 0.00 C ATOM 97 O THR A 8 -6.457 -5.732 -12.656 1.00 0.00 O ATOM 98 CB THR A 8 -3.454 -4.969 -11.662 1.00 0.00 C ATOM 99 OG1 THR A 8 -3.024 -4.454 -12.910 1.00 0.00 O ATOM 100 CG2 THR A 8 -2.224 -5.156 -10.797 1.00 0.00 C ATOM 0 HA THR A 8 -4.777 -6.506 -10.931 1.00 0.00 H new ATOM 0 HB THR A 8 -4.129 -4.279 -11.156 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.509 -3.633 -12.765 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.699 -4.206 -10.700 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.524 -5.507 -9.810 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.563 -5.890 -11.258 1.00 0.00 H new ATOM 108 N ALA A 9 -4.910 -6.246 -14.200 1.00 0.00 N ATOM 109 CA ALA A 9 -5.842 -6.110 -15.300 1.00 0.00 C ATOM 110 C ALA A 9 -7.000 -7.081 -15.100 1.00 0.00 C ATOM 111 O ALA A 9 -8.135 -6.673 -14.846 1.00 0.00 O ATOM 112 CB ALA A 9 -5.140 -6.369 -16.626 1.00 0.00 C ATOM 0 H ALA A 9 -3.961 -6.505 -14.471 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.232 -5.092 -15.322 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.854 -6.263 -17.443 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.331 -5.650 -16.756 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.732 -7.380 -16.630 1.00 0.00 H new ATOM 118 N SER A 10 -6.708 -8.372 -15.240 1.00 0.00 N ATOM 119 CA SER A 10 -7.724 -9.410 -15.101 1.00 0.00 C ATOM 120 C SER A 10 -8.423 -9.345 -13.745 1.00 0.00 C ATOM 121 O SER A 10 -9.570 -9.781 -13.611 1.00 0.00 O ATOM 122 CB SER A 10 -7.080 -10.791 -15.291 1.00 0.00 C ATOM 123 OG SER A 10 -7.850 -11.812 -14.677 1.00 0.00 O ATOM 0 H SER A 10 -5.774 -8.724 -15.450 1.00 0.00 H new ATOM 0 HA SER A 10 -8.479 -9.243 -15.869 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.976 -11.002 -16.355 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.076 -10.787 -14.868 1.00 0.00 H new ATOM 0 HG SER A 10 -7.415 -12.679 -14.817 1.00 0.00 H new ATOM 129 N MET A 11 -7.755 -8.786 -12.742 1.00 0.00 N ATOM 130 CA MET A 11 -8.365 -8.682 -11.430 1.00 0.00 C ATOM 131 C MET A 11 -9.596 -7.785 -11.505 1.00 0.00 C ATOM 132 O MET A 11 -10.631 -8.081 -10.905 1.00 0.00 O ATOM 133 CB MET A 11 -7.346 -8.168 -10.405 1.00 0.00 C ATOM 134 CG MET A 11 -7.714 -6.861 -9.739 1.00 0.00 C ATOM 135 SD MET A 11 -9.086 -7.044 -8.587 1.00 0.00 S ATOM 136 CE MET A 11 -10.126 -5.673 -9.080 1.00 0.00 C ATOM 0 H MET A 11 -6.811 -8.406 -12.812 1.00 0.00 H new ATOM 0 HA MET A 11 -8.687 -9.669 -11.099 1.00 0.00 H new ATOM 0 HB2 MET A 11 -7.214 -8.927 -9.634 1.00 0.00 H new ATOM 0 HB3 MET A 11 -6.383 -8.047 -10.901 1.00 0.00 H new ATOM 0 HG2 MET A 11 -6.846 -6.469 -9.208 1.00 0.00 H new ATOM 0 HG3 MET A 11 -7.978 -6.129 -10.502 1.00 0.00 H new ATOM 0 HE1 MET A 11 -10.159 -4.935 -8.279 1.00 0.00 H new ATOM 0 HE2 MET A 11 -9.719 -5.213 -9.980 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.134 -6.035 -9.281 1.00 0.00 H new ATOM 146 N LEU A 12 -9.477 -6.697 -12.251 1.00 0.00 N ATOM 147 CA LEU A 12 -10.580 -5.761 -12.419 1.00 0.00 C ATOM 148 C LEU A 12 -11.795 -6.471 -13.003 1.00 0.00 C ATOM 149 O LEU A 12 -12.861 -6.511 -12.388 1.00 0.00 O ATOM 150 CB LEU A 12 -10.163 -4.588 -13.321 1.00 0.00 C ATOM 151 CG LEU A 12 -10.764 -3.235 -12.938 1.00 0.00 C ATOM 152 CD1 LEU A 12 -12.208 -3.130 -13.409 1.00 0.00 C ATOM 153 CD2 LEU A 12 -10.677 -3.040 -11.435 1.00 0.00 C ATOM 0 H LEU A 12 -8.626 -6.440 -12.751 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.845 -5.365 -11.439 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.076 -4.504 -13.304 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.449 -4.819 -14.347 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.193 -2.448 -13.431 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.614 -2.159 -13.125 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.246 -3.236 -14.493 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.800 -3.920 -12.947 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.107 -2.074 -11.168 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.229 -3.834 -10.932 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.633 -3.071 -11.124 1.00 0.00 H new ATOM 165 N ALA A 13 -11.617 -7.052 -14.183 1.00 0.00 N ATOM 166 CA ALA A 13 -12.688 -7.786 -14.848 1.00 0.00 C ATOM 167 C ALA A 13 -12.992 -9.105 -14.137 1.00 0.00 C ATOM 168 O ALA A 13 -13.774 -9.921 -14.628 1.00 0.00 O ATOM 169 CB ALA A 13 -12.311 -8.053 -16.291 1.00 0.00 C ATOM 0 H ALA A 13 -10.739 -7.029 -14.701 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.588 -7.171 -14.812 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -13.115 -8.601 -16.782 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.151 -7.106 -16.806 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -11.396 -8.644 -16.325 1.00 0.00 H new ATOM 175 N SER A 14 -12.375 -9.302 -12.978 1.00 0.00 N ATOM 176 CA SER A 14 -12.583 -10.508 -12.191 1.00 0.00 C ATOM 177 C SER A 14 -13.532 -10.256 -11.018 1.00 0.00 C ATOM 178 O SER A 14 -13.721 -11.128 -10.169 1.00 0.00 O ATOM 179 CB SER A 14 -11.244 -11.043 -11.680 1.00 0.00 C ATOM 180 OG SER A 14 -11.432 -12.144 -10.809 1.00 0.00 O ATOM 0 H SER A 14 -11.723 -8.637 -12.562 1.00 0.00 H new ATOM 0 HA SER A 14 -13.044 -11.253 -12.839 1.00 0.00 H new ATOM 0 HB2 SER A 14 -10.624 -11.345 -12.524 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.708 -10.250 -11.158 1.00 0.00 H new ATOM 0 HG SER A 14 -12.386 -12.242 -10.607 1.00 0.00 H new ATOM 186 N ALA A 15 -14.143 -9.068 -10.980 1.00 0.00 N ATOM 187 CA ALA A 15 -15.083 -8.722 -9.917 1.00 0.00 C ATOM 188 C ALA A 15 -16.340 -8.074 -10.495 1.00 0.00 C ATOM 189 O ALA A 15 -16.274 -7.367 -11.497 1.00 0.00 O ATOM 190 CB ALA A 15 -14.428 -7.790 -8.911 1.00 0.00 C ATOM 0 H ALA A 15 -14.002 -8.333 -11.673 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.372 -9.641 -9.407 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.142 -7.542 -8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.561 -8.282 -8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.111 -6.877 -9.414 1.00 0.00 H new ATOM 196 N PRO A 16 -17.512 -8.331 -9.876 1.00 0.00 N ATOM 197 CA PRO A 16 -18.798 -7.792 -10.322 1.00 0.00 C ATOM 198 C PRO A 16 -18.719 -6.342 -10.814 1.00 0.00 C ATOM 199 O PRO A 16 -17.659 -5.717 -10.781 1.00 0.00 O ATOM 200 CB PRO A 16 -19.681 -7.869 -9.070 1.00 0.00 C ATOM 201 CG PRO A 16 -18.964 -8.741 -8.080 1.00 0.00 C ATOM 202 CD PRO A 16 -17.669 -9.195 -8.702 1.00 0.00 C ATOM 0 HA PRO A 16 -19.176 -8.355 -11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -19.851 -6.875 -8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -20.659 -8.285 -9.313 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -18.771 -8.191 -7.159 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -19.580 -9.600 -7.815 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.834 -9.083 -8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -17.710 -10.247 -8.984 1.00 0.00 H new ATOM 210 N PRO A 17 -19.857 -5.788 -11.282 1.00 0.00 N ATOM 211 CA PRO A 17 -19.920 -4.411 -11.791 1.00 0.00 C ATOM 212 C PRO A 17 -19.235 -3.395 -10.872 1.00 0.00 C ATOM 213 O PRO A 17 -18.095 -3.008 -11.117 1.00 0.00 O ATOM 214 CB PRO A 17 -21.425 -4.142 -11.902 1.00 0.00 C ATOM 215 CG PRO A 17 -22.034 -5.486 -12.106 1.00 0.00 C ATOM 216 CD PRO A 17 -21.169 -6.462 -11.353 1.00 0.00 C ATOM 0 HA PRO A 17 -19.388 -4.305 -12.736 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -21.810 -3.665 -11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -21.648 -3.475 -12.735 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -23.059 -5.509 -11.735 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -22.073 -5.738 -13.166 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -21.568 -6.666 -10.359 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -21.100 -7.418 -11.872 1.00 0.00 H new ATOM 224 N GLN A 18 -19.928 -2.958 -9.822 1.00 0.00 N ATOM 225 CA GLN A 18 -19.378 -1.976 -8.888 1.00 0.00 C ATOM 226 C GLN A 18 -18.099 -2.471 -8.221 1.00 0.00 C ATOM 227 O GLN A 18 -17.327 -1.672 -7.695 1.00 0.00 O ATOM 228 CB GLN A 18 -20.425 -1.606 -7.831 1.00 0.00 C ATOM 229 CG GLN A 18 -20.940 -2.792 -7.031 1.00 0.00 C ATOM 230 CD GLN A 18 -22.184 -3.417 -7.637 1.00 0.00 C ATOM 231 OE1 GLN A 18 -22.552 -3.122 -8.774 1.00 0.00 O ATOM 232 NE2 GLN A 18 -22.834 -4.288 -6.873 1.00 0.00 N ATOM 0 H GLN A 18 -20.873 -3.269 -9.596 1.00 0.00 H new ATOM 0 HA GLN A 18 -19.119 -1.087 -9.463 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -19.992 -0.878 -7.145 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -21.267 -1.119 -8.323 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -20.156 -3.546 -6.964 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -21.160 -2.470 -6.013 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -22.490 -4.501 -5.936 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -23.677 -4.744 -7.223 1.00 0.00 H new ATOM 241 N GLU A 19 -17.854 -3.777 -8.257 1.00 0.00 N ATOM 242 CA GLU A 19 -16.643 -4.327 -7.660 1.00 0.00 C ATOM 243 C GLU A 19 -15.476 -4.214 -8.633 1.00 0.00 C ATOM 244 O GLU A 19 -14.613 -5.085 -8.692 1.00 0.00 O ATOM 245 CB GLU A 19 -16.860 -5.784 -7.247 1.00 0.00 C ATOM 246 CG GLU A 19 -17.893 -5.932 -6.141 1.00 0.00 C ATOM 247 CD GLU A 19 -17.343 -6.630 -4.912 1.00 0.00 C ATOM 248 OE1 GLU A 19 -17.322 -7.877 -4.896 1.00 0.00 O ATOM 249 OE2 GLU A 19 -16.930 -5.924 -3.966 1.00 0.00 O ATOM 0 H GLU A 19 -18.470 -4.467 -8.688 1.00 0.00 H new ATOM 0 HA GLU A 19 -16.406 -3.751 -6.765 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.179 -6.360 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.913 -6.208 -6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.260 -4.945 -5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.747 -6.493 -6.520 1.00 0.00 H new ATOM 256 N GLN A 20 -15.428 -3.094 -9.345 1.00 0.00 N ATOM 257 CA GLN A 20 -14.335 -2.819 -10.269 1.00 0.00 C ATOM 258 C GLN A 20 -13.058 -2.537 -9.480 1.00 0.00 C ATOM 259 O GLN A 20 -12.268 -3.436 -9.190 1.00 0.00 O ATOM 260 CB GLN A 20 -14.640 -1.636 -11.219 1.00 0.00 C ATOM 261 CG GLN A 20 -15.913 -0.862 -10.899 1.00 0.00 C ATOM 262 CD GLN A 20 -16.350 0.040 -12.035 1.00 0.00 C ATOM 263 OE1 GLN A 20 -17.535 0.111 -12.364 1.00 0.00 O ATOM 264 NE2 GLN A 20 -15.397 0.740 -12.642 1.00 0.00 N ATOM 0 H GLN A 20 -16.135 -2.360 -9.300 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.206 -3.703 -10.893 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.797 -0.945 -11.196 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -14.711 -2.017 -12.238 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -16.713 -1.566 -10.671 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -15.752 -0.261 -10.004 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.427 0.652 -12.338 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -15.635 1.365 -13.412 1.00 0.00 H new ATOM 273 N LYS A 21 -12.889 -1.269 -9.115 1.00 0.00 N ATOM 274 CA LYS A 21 -11.732 -0.813 -8.347 1.00 0.00 C ATOM 275 C LYS A 21 -11.879 -1.162 -6.866 1.00 0.00 C ATOM 276 O LYS A 21 -11.196 -0.591 -6.017 1.00 0.00 O ATOM 277 CB LYS A 21 -11.567 0.700 -8.517 1.00 0.00 C ATOM 278 CG LYS A 21 -12.054 1.206 -9.871 1.00 0.00 C ATOM 279 CD LYS A 21 -10.915 1.736 -10.728 1.00 0.00 C ATOM 280 CE LYS A 21 -10.898 1.069 -12.093 1.00 0.00 C ATOM 281 NZ LYS A 21 -11.720 1.818 -13.082 1.00 0.00 N ATOM 0 H LYS A 21 -13.551 -0.527 -9.343 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.845 -1.322 -8.725 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.116 1.211 -7.726 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.516 0.961 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.558 0.397 -10.400 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.790 1.995 -9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.018 2.814 -10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.965 1.561 -10.223 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.871 1.000 -12.451 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.274 0.050 -12.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.684 1.333 -14.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.705 1.862 -12.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.346 2.783 -13.185 1.00 0.00 H new ATOM 295 N GLN A 22 -12.766 -2.106 -6.563 1.00 0.00 N ATOM 296 CA GLN A 22 -12.996 -2.525 -5.179 1.00 0.00 C ATOM 297 C GLN A 22 -11.758 -3.167 -4.574 1.00 0.00 C ATOM 298 O GLN A 22 -11.266 -2.722 -3.537 1.00 0.00 O ATOM 299 CB GLN A 22 -14.174 -3.500 -5.092 1.00 0.00 C ATOM 300 CG GLN A 22 -15.301 -3.021 -4.184 1.00 0.00 C ATOM 301 CD GLN A 22 -15.045 -3.308 -2.713 1.00 0.00 C ATOM 302 OE1 GLN A 22 -15.149 -2.420 -1.868 1.00 0.00 O ATOM 303 NE2 GLN A 22 -14.717 -4.555 -2.399 1.00 0.00 N ATOM 0 H GLN A 22 -13.337 -2.595 -7.253 1.00 0.00 H new ATOM 0 HA GLN A 22 -13.231 -1.626 -4.609 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.572 -3.666 -6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.812 -4.462 -4.730 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -15.438 -1.948 -4.320 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.232 -3.502 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -14.641 -5.262 -3.130 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -14.541 -4.806 -1.426 1.00 0.00 H new ATOM 312 N MET A 23 -11.266 -4.221 -5.207 1.00 0.00 N ATOM 313 CA MET A 23 -10.099 -4.922 -4.705 1.00 0.00 C ATOM 314 C MET A 23 -8.886 -3.991 -4.637 1.00 0.00 C ATOM 315 O MET A 23 -8.700 -3.301 -3.641 1.00 0.00 O ATOM 316 CB MET A 23 -9.817 -6.148 -5.569 1.00 0.00 C ATOM 317 CG MET A 23 -11.020 -7.070 -5.716 1.00 0.00 C ATOM 318 SD MET A 23 -10.842 -8.605 -4.788 1.00 0.00 S ATOM 319 CE MET A 23 -9.531 -9.406 -5.707 1.00 0.00 C ATOM 0 H MET A 23 -11.657 -4.607 -6.066 1.00 0.00 H new ATOM 0 HA MET A 23 -10.302 -5.259 -3.689 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.495 -5.821 -6.558 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.989 -6.708 -5.134 1.00 0.00 H new ATOM 0 HG2 MET A 23 -11.915 -6.548 -5.378 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.166 -7.303 -6.771 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.509 -10.467 -5.459 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.710 -9.287 -6.776 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.575 -8.952 -5.447 1.00 0.00 H new ATOM 329 N LEU A 24 -8.063 -3.970 -5.687 1.00 0.00 N ATOM 330 CA LEU A 24 -6.871 -3.114 -5.708 1.00 0.00 C ATOM 331 C LEU A 24 -7.217 -1.630 -5.630 1.00 0.00 C ATOM 332 O LEU A 24 -6.865 -0.869 -6.534 1.00 0.00 O ATOM 333 CB LEU A 24 -6.005 -3.352 -6.957 1.00 0.00 C ATOM 334 CG LEU A 24 -6.625 -4.148 -8.096 1.00 0.00 C ATOM 335 CD1 LEU A 24 -7.787 -3.382 -8.719 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.546 -4.446 -9.121 1.00 0.00 C ATOM 0 H LEU A 24 -8.196 -4.530 -6.529 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.305 -3.393 -4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.705 -2.380 -7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.095 -3.864 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.028 -5.087 -7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.216 -3.969 -9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -8.549 -3.199 -7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.427 -2.430 -9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.974 -5.017 -9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.137 -3.510 -9.502 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.750 -5.026 -8.653 1.00 0.00 H new ATOM 348 N GLY A 25 -7.885 -1.205 -4.557 1.00 0.00 N ATOM 349 CA GLY A 25 -8.233 0.199 -4.416 1.00 0.00 C ATOM 350 C GLY A 25 -8.373 0.891 -5.759 1.00 0.00 C ATOM 351 O GLY A 25 -8.915 0.308 -6.701 1.00 0.00 O ATOM 0 H GLY A 25 -8.189 -1.804 -3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.169 0.286 -3.865 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.468 0.704 -3.827 1.00 0.00 H new ATOM 355 N GLU A 26 -7.861 2.108 -5.872 1.00 0.00 N ATOM 356 CA GLU A 26 -7.918 2.812 -7.140 1.00 0.00 C ATOM 357 C GLU A 26 -6.885 2.223 -8.105 1.00 0.00 C ATOM 358 O GLU A 26 -7.209 1.373 -8.934 1.00 0.00 O ATOM 359 CB GLU A 26 -7.746 4.338 -6.969 1.00 0.00 C ATOM 360 CG GLU A 26 -7.823 4.839 -5.527 1.00 0.00 C ATOM 361 CD GLU A 26 -8.368 6.254 -5.417 1.00 0.00 C ATOM 362 OE1 GLU A 26 -9.216 6.637 -6.250 1.00 0.00 O ATOM 363 OE2 GLU A 26 -7.943 6.981 -4.496 1.00 0.00 O ATOM 0 H GLU A 26 -7.409 2.620 -5.114 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.911 2.670 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.783 4.629 -7.388 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.514 4.843 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.455 4.166 -4.948 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.828 4.803 -5.082 1.00 0.00 H new ATOM 370 N ARG A 27 -5.652 2.701 -7.993 1.00 0.00 N ATOM 371 CA ARG A 27 -4.563 2.253 -8.861 1.00 0.00 C ATOM 372 C ARG A 27 -3.227 2.139 -8.110 1.00 0.00 C ATOM 373 O ARG A 27 -2.178 1.979 -8.730 1.00 0.00 O ATOM 374 CB ARG A 27 -4.410 3.238 -10.021 1.00 0.00 C ATOM 375 CG ARG A 27 -4.438 2.601 -11.401 1.00 0.00 C ATOM 376 CD ARG A 27 -5.753 1.889 -11.667 1.00 0.00 C ATOM 377 NE ARG A 27 -5.559 0.460 -11.895 1.00 0.00 N ATOM 378 CZ ARG A 27 -6.539 -0.382 -12.215 1.00 0.00 C ATOM 379 NH1 ARG A 27 -7.783 0.057 -12.338 1.00 0.00 N ATOM 380 NH2 ARG A 27 -6.272 -1.664 -12.413 1.00 0.00 N ATOM 0 H ARG A 27 -5.377 3.403 -7.306 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.818 1.259 -9.228 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.209 3.977 -9.960 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.469 3.775 -9.902 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.280 3.368 -12.159 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.616 1.891 -11.490 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.423 2.034 -10.820 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.238 2.333 -12.536 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.615 0.084 -11.804 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.993 1.044 -12.187 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.531 -0.592 -12.583 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.316 -2.006 -12.320 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.023 -2.309 -12.658 1.00 0.00 H new ATOM 394 N LEU A 28 -3.261 2.227 -6.784 1.00 0.00 N ATOM 395 CA LEU A 28 -2.037 2.146 -5.982 1.00 0.00 C ATOM 396 C LEU A 28 -1.516 0.728 -5.864 1.00 0.00 C ATOM 397 O LEU A 28 -0.324 0.484 -6.040 1.00 0.00 O ATOM 398 CB LEU A 28 -2.283 2.703 -4.591 1.00 0.00 C ATOM 399 CG LEU A 28 -2.237 4.215 -4.522 1.00 0.00 C ATOM 400 CD1 LEU A 28 -3.189 4.730 -3.445 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.812 4.683 -4.285 1.00 0.00 C ATOM 0 H LEU A 28 -4.115 2.354 -6.241 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.282 2.739 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.257 2.362 -4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.537 2.294 -3.909 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.569 4.627 -5.475 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.143 5.818 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.207 4.417 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.898 4.323 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.790 5.772 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.445 4.271 -3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.177 4.343 -5.103 1.00 0.00 H new ATOM 413 N PHE A 29 -2.411 -0.206 -5.572 1.00 0.00 N ATOM 414 CA PHE A 29 -2.031 -1.606 -5.437 1.00 0.00 C ATOM 415 C PHE A 29 -1.123 -2.034 -6.588 1.00 0.00 C ATOM 416 O PHE A 29 -0.068 -2.615 -6.366 1.00 0.00 O ATOM 417 CB PHE A 29 -3.272 -2.489 -5.389 1.00 0.00 C ATOM 418 CG PHE A 29 -3.086 -3.788 -4.641 1.00 0.00 C ATOM 419 CD1 PHE A 29 -2.148 -3.918 -3.619 1.00 0.00 C ATOM 420 CD2 PHE A 29 -3.860 -4.888 -4.971 1.00 0.00 C ATOM 421 CE1 PHE A 29 -1.996 -5.125 -2.955 1.00 0.00 C ATOM 422 CE2 PHE A 29 -3.711 -6.086 -4.315 1.00 0.00 C ATOM 423 CZ PHE A 29 -2.781 -6.210 -3.305 1.00 0.00 C ATOM 0 H PHE A 29 -3.403 -0.020 -5.424 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.480 -1.722 -4.504 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.083 -1.929 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.583 -2.713 -6.409 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.535 -3.073 -3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.594 -4.803 -5.758 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.266 -5.219 -2.165 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.323 -6.932 -4.591 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.665 -7.151 -2.788 1.00 0.00 H new ATOM 433 N PRO A 30 -1.513 -1.718 -7.836 1.00 0.00 N ATOM 434 CA PRO A 30 -0.715 -2.052 -9.019 1.00 0.00 C ATOM 435 C PRO A 30 0.674 -1.429 -8.946 1.00 0.00 C ATOM 436 O PRO A 30 1.678 -2.072 -9.258 1.00 0.00 O ATOM 437 CB PRO A 30 -1.498 -1.438 -10.184 1.00 0.00 C ATOM 438 CG PRO A 30 -2.874 -1.192 -9.664 1.00 0.00 C ATOM 439 CD PRO A 30 -2.741 -0.991 -8.183 1.00 0.00 C ATOM 0 HA PRO A 30 -0.566 -3.127 -9.117 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.035 -0.510 -10.520 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.518 -2.112 -11.040 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.316 -0.315 -10.136 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.528 -2.036 -9.884 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.665 0.066 -7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.604 -1.386 -7.647 1.00 0.00 H new ATOM 447 N LEU A 31 0.712 -0.161 -8.546 1.00 0.00 N ATOM 448 CA LEU A 31 1.963 0.581 -8.439 1.00 0.00 C ATOM 449 C LEU A 31 2.814 0.070 -7.269 1.00 0.00 C ATOM 450 O LEU A 31 4.020 -0.188 -7.414 1.00 0.00 O ATOM 451 CB LEU A 31 1.666 2.075 -8.275 1.00 0.00 C ATOM 452 CG LEU A 31 0.602 2.625 -9.235 1.00 0.00 C ATOM 453 CD1 LEU A 31 0.005 3.934 -8.727 1.00 0.00 C ATOM 454 CD2 LEU A 31 1.199 2.814 -10.619 1.00 0.00 C ATOM 0 H LEU A 31 -0.116 0.377 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 31 2.534 0.428 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.341 2.257 -7.251 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.591 2.634 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.208 1.898 -9.290 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.744 4.291 -9.434 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.462 3.768 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.794 4.679 -8.627 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.437 3.204 -11.294 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.030 3.517 -10.564 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.559 1.856 -10.994 1.00 0.00 H new ATOM 466 N ILE A 32 2.183 -0.112 -6.114 1.00 0.00 N ATOM 467 CA ILE A 32 2.900 -0.618 -4.958 1.00 0.00 C ATOM 468 C ILE A 32 3.314 -2.052 -5.209 1.00 0.00 C ATOM 469 O ILE A 32 4.423 -2.451 -4.864 1.00 0.00 O ATOM 470 CB ILE A 32 2.081 -0.546 -3.649 1.00 0.00 C ATOM 471 CG1 ILE A 32 2.837 -1.248 -2.517 1.00 0.00 C ATOM 472 CG2 ILE A 32 0.699 -1.153 -3.826 1.00 0.00 C ATOM 473 CD1 ILE A 32 3.694 -0.318 -1.709 1.00 0.00 C ATOM 0 H ILE A 32 1.194 0.080 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 32 3.771 0.023 -4.824 1.00 0.00 H new ATOM 0 HB ILE A 32 1.949 0.504 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.119 -1.735 -1.857 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.464 -2.033 -2.940 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.149 -1.086 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.160 -0.610 -4.602 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.796 -2.199 -4.116 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.201 -0.880 -0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.435 0.150 -2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.069 0.453 -1.257 1.00 0.00 H new ATOM 485 N GLN A 33 2.429 -2.829 -5.829 1.00 0.00 N ATOM 486 CA GLN A 33 2.745 -4.212 -6.129 1.00 0.00 C ATOM 487 C GLN A 33 4.148 -4.280 -6.724 1.00 0.00 C ATOM 488 O GLN A 33 4.951 -5.144 -6.377 1.00 0.00 O ATOM 489 CB GLN A 33 1.737 -4.815 -7.114 1.00 0.00 C ATOM 490 CG GLN A 33 1.511 -6.306 -6.910 1.00 0.00 C ATOM 491 CD GLN A 33 2.030 -7.146 -8.066 1.00 0.00 C ATOM 492 OE1 GLN A 33 3.110 -7.732 -7.984 1.00 0.00 O ATOM 493 NE2 GLN A 33 1.262 -7.211 -9.148 1.00 0.00 N ATOM 0 H GLN A 33 1.502 -2.525 -6.127 1.00 0.00 H new ATOM 0 HA GLN A 33 2.696 -4.789 -5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.785 -4.294 -7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.088 -4.644 -8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.003 -6.620 -5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.445 -6.493 -6.782 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.374 -6.710 -9.174 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.560 -7.762 -9.953 1.00 0.00 H new ATOM 502 N ALA A 34 4.421 -3.333 -7.625 1.00 0.00 N ATOM 503 CA ALA A 34 5.716 -3.240 -8.293 1.00 0.00 C ATOM 504 C ALA A 34 6.860 -3.099 -7.298 1.00 0.00 C ATOM 505 O ALA A 34 7.954 -3.613 -7.519 1.00 0.00 O ATOM 506 CB ALA A 34 5.725 -2.068 -9.263 1.00 0.00 C ATOM 0 H ALA A 34 3.754 -2.615 -7.909 1.00 0.00 H new ATOM 0 HA ALA A 34 5.867 -4.169 -8.843 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.696 -2.010 -9.754 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.947 -2.210 -10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.538 -1.143 -8.718 1.00 0.00 H new ATOM 512 N MET A 35 6.604 -2.385 -6.219 1.00 0.00 N ATOM 513 CA MET A 35 7.626 -2.161 -5.194 1.00 0.00 C ATOM 514 C MET A 35 7.457 -3.111 -4.000 1.00 0.00 C ATOM 515 O MET A 35 8.381 -3.839 -3.643 1.00 0.00 O ATOM 516 CB MET A 35 7.595 -0.708 -4.723 1.00 0.00 C ATOM 517 CG MET A 35 8.229 0.258 -5.710 1.00 0.00 C ATOM 518 SD MET A 35 10.025 0.101 -5.782 1.00 0.00 S ATOM 519 CE MET A 35 10.288 0.053 -7.554 1.00 0.00 C ATOM 0 H MET A 35 5.703 -1.948 -6.022 1.00 0.00 H new ATOM 0 HA MET A 35 8.595 -2.371 -5.646 1.00 0.00 H new ATOM 0 HB2 MET A 35 6.561 -0.412 -4.549 1.00 0.00 H new ATOM 0 HB3 MET A 35 8.113 -0.632 -3.767 1.00 0.00 H new ATOM 0 HG2 MET A 35 7.813 0.083 -6.702 1.00 0.00 H new ATOM 0 HG3 MET A 35 7.969 1.279 -5.431 1.00 0.00 H new ATOM 0 HE1 MET A 35 11.354 -0.043 -7.761 1.00 0.00 H new ATOM 0 HE2 MET A 35 9.758 -0.800 -7.977 1.00 0.00 H new ATOM 0 HE3 MET A 35 9.912 0.973 -8.003 1.00 0.00 H new ATOM 529 N HIS A 36 6.264 -3.123 -3.416 1.00 0.00 N ATOM 530 CA HIS A 36 5.954 -4.011 -2.289 1.00 0.00 C ATOM 531 C HIS A 36 6.859 -3.784 -1.072 1.00 0.00 C ATOM 532 O HIS A 36 7.312 -4.742 -0.441 1.00 0.00 O ATOM 533 CB HIS A 36 6.054 -5.477 -2.731 1.00 0.00 C ATOM 534 CG HIS A 36 4.754 -6.058 -3.197 1.00 0.00 C ATOM 535 ND1 HIS A 36 3.505 -5.539 -3.199 1.00 0.00 N flip ATOM 536 CD2 HIS A 36 4.635 -7.331 -3.723 1.00 0.00 C flip ATOM 537 CE1 HIS A 36 2.664 -6.497 -3.716 1.00 0.00 C flip ATOM 538 NE2 HIS A 36 3.371 -7.568 -4.027 1.00 0.00 N flip ATOM 0 H HIS A 36 5.488 -2.526 -3.703 1.00 0.00 H new ATOM 0 HA HIS A 36 4.936 -3.773 -1.981 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.785 -5.555 -3.535 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.430 -6.073 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 36 5.450 -8.025 -3.864 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.597 -6.390 -3.847 1.00 0.00 H new ATOM 0 HE2 HIS A 36 3.005 -8.430 -4.432 1.00 0.00 H new ATOM 546 N PRO A 37 7.114 -2.524 -0.698 1.00 0.00 N ATOM 547 CA PRO A 37 7.941 -2.210 0.467 1.00 0.00 C ATOM 548 C PRO A 37 7.322 -2.755 1.756 1.00 0.00 C ATOM 549 O PRO A 37 7.846 -3.690 2.362 1.00 0.00 O ATOM 550 CB PRO A 37 7.981 -0.676 0.489 1.00 0.00 C ATOM 551 CG PRO A 37 6.823 -0.240 -0.346 1.00 0.00 C ATOM 552 CD PRO A 37 6.608 -1.322 -1.363 1.00 0.00 C ATOM 0 HA PRO A 37 8.932 -2.660 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 37 7.898 -0.295 1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.921 -0.301 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.933 -0.099 0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.030 0.714 -0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.555 -1.422 -1.625 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.149 -1.117 -2.287 1.00 0.00 H new ATOM 560 N THR A 38 6.228 -2.134 2.188 1.00 0.00 N ATOM 561 CA THR A 38 5.551 -2.524 3.424 1.00 0.00 C ATOM 562 C THR A 38 4.412 -3.508 3.159 1.00 0.00 C ATOM 563 O THR A 38 4.449 -4.652 3.611 1.00 0.00 O ATOM 564 CB THR A 38 5.010 -1.281 4.136 1.00 0.00 C ATOM 565 OG1 THR A 38 3.889 -0.751 3.447 1.00 0.00 O ATOM 566 CG2 THR A 38 6.033 -0.168 4.264 1.00 0.00 C ATOM 0 H THR A 38 5.789 -1.355 1.698 1.00 0.00 H new ATOM 0 HA THR A 38 6.281 -3.024 4.060 1.00 0.00 H new ATOM 0 HB THR A 38 4.736 -1.622 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.559 0.041 3.920 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.584 0.682 4.778 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.890 -0.525 4.835 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.361 0.140 3.271 1.00 0.00 H new ATOM 574 N LEU A 39 3.400 -3.052 2.431 1.00 0.00 N ATOM 575 CA LEU A 39 2.247 -3.888 2.108 1.00 0.00 C ATOM 576 C LEU A 39 1.362 -3.201 1.071 1.00 0.00 C ATOM 577 O LEU A 39 0.702 -2.209 1.369 1.00 0.00 O ATOM 578 CB LEU A 39 1.433 -4.191 3.373 1.00 0.00 C ATOM 579 CG LEU A 39 0.764 -5.567 3.406 1.00 0.00 C ATOM 580 CD1 LEU A 39 1.805 -6.668 3.541 1.00 0.00 C ATOM 581 CD2 LEU A 39 -0.234 -5.638 4.550 1.00 0.00 C ATOM 0 H LEU A 39 3.353 -2.106 2.052 1.00 0.00 H new ATOM 0 HA LEU A 39 2.612 -4.827 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.091 -4.104 4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.662 -3.428 3.481 1.00 0.00 H new ATOM 0 HG LEU A 39 0.231 -5.714 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.308 -7.638 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.488 -6.629 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.366 -6.527 4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.703 -6.622 4.563 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.283 -5.470 5.495 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.999 -4.873 4.414 1.00 0.00 H new ATOM 593 N ALA A 40 1.351 -3.734 -0.143 1.00 0.00 N ATOM 594 CA ALA A 40 0.552 -3.177 -1.229 1.00 0.00 C ATOM 595 C ALA A 40 -0.932 -3.068 -0.859 1.00 0.00 C ATOM 596 O ALA A 40 -1.542 -2.013 -1.041 1.00 0.00 O ATOM 597 CB ALA A 40 0.809 -3.991 -2.488 1.00 0.00 C ATOM 0 H ALA A 40 1.891 -4.559 -0.403 1.00 0.00 H new ATOM 0 HA ALA A 40 0.857 -2.148 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.218 -3.586 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.867 -3.942 -2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.526 -5.029 -2.314 1.00 0.00 H new ATOM 603 N GLY A 41 -1.516 -4.133 -0.339 1.00 0.00 N ATOM 604 CA GLY A 41 -2.917 -4.078 0.041 1.00 0.00 C ATOM 605 C GLY A 41 -3.219 -2.921 0.986 1.00 0.00 C ATOM 606 O GLY A 41 -4.089 -2.092 0.712 1.00 0.00 O ATOM 0 H GLY A 41 -1.055 -5.028 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.530 -3.981 -0.855 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -3.198 -5.016 0.519 1.00 0.00 H new ATOM 610 N LYS A 42 -2.509 -2.888 2.112 1.00 0.00 N ATOM 611 CA LYS A 42 -2.710 -1.851 3.127 1.00 0.00 C ATOM 612 C LYS A 42 -2.159 -0.493 2.692 1.00 0.00 C ATOM 613 O LYS A 42 -2.758 0.542 2.976 1.00 0.00 O ATOM 614 CB LYS A 42 -2.060 -2.264 4.451 1.00 0.00 C ATOM 615 CG LYS A 42 -2.979 -3.052 5.376 1.00 0.00 C ATOM 616 CD LYS A 42 -3.456 -4.352 4.739 1.00 0.00 C ATOM 617 CE LYS A 42 -4.973 -4.398 4.610 1.00 0.00 C ATOM 618 NZ LYS A 42 -5.523 -3.188 3.937 1.00 0.00 N ATOM 0 H LYS A 42 -1.787 -3.569 2.347 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.787 -1.747 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.176 -2.864 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.720 -1.369 4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.453 -3.275 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.842 -2.439 5.638 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.004 -4.460 3.753 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.117 -5.196 5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.260 -5.286 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.416 -4.492 5.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.544 -3.121 4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.047 -2.340 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.362 -3.258 2.912 1.00 0.00 H new ATOM 632 N ILE A 43 -1.026 -0.491 2.010 1.00 0.00 N ATOM 633 CA ILE A 43 -0.424 0.758 1.557 1.00 0.00 C ATOM 634 C ILE A 43 -1.406 1.562 0.706 1.00 0.00 C ATOM 635 O ILE A 43 -1.538 2.776 0.865 1.00 0.00 O ATOM 636 CB ILE A 43 0.858 0.502 0.742 1.00 0.00 C ATOM 637 CG1 ILE A 43 1.748 1.741 0.734 1.00 0.00 C ATOM 638 CG2 ILE A 43 0.515 0.085 -0.677 1.00 0.00 C ATOM 639 CD1 ILE A 43 3.219 1.400 0.730 1.00 0.00 C ATOM 0 H ILE A 43 -0.506 -1.331 1.758 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.167 1.329 2.449 1.00 0.00 H new ATOM 0 HB ILE A 43 1.407 -0.311 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.516 2.344 -0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.523 2.351 1.609 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.434 -0.091 -1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.077 -0.830 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.058 0.876 -1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.805 2.319 0.724 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.461 0.821 1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.454 0.814 -0.158 1.00 0.00 H new ATOM 651 N THR A 44 -2.082 0.864 -0.206 1.00 0.00 N ATOM 652 CA THR A 44 -3.048 1.483 -1.109 1.00 0.00 C ATOM 653 C THR A 44 -4.043 2.348 -0.350 1.00 0.00 C ATOM 654 O THR A 44 -4.291 3.493 -0.719 1.00 0.00 O ATOM 655 CB THR A 44 -3.790 0.403 -1.905 1.00 0.00 C ATOM 656 OG1 THR A 44 -2.900 -0.283 -2.767 1.00 0.00 O ATOM 657 CG2 THR A 44 -4.921 0.948 -2.752 1.00 0.00 C ATOM 0 H THR A 44 -1.975 -0.142 -0.338 1.00 0.00 H new ATOM 0 HA THR A 44 -2.500 2.127 -1.797 1.00 0.00 H new ATOM 0 HB THR A 44 -4.212 -0.267 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.369 -0.922 -2.248 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.402 0.129 -3.288 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.652 1.440 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.525 1.667 -3.469 1.00 0.00 H new ATOM 665 N GLY A 45 -4.599 1.802 0.723 1.00 0.00 N ATOM 666 CA GLY A 45 -5.553 2.549 1.517 1.00 0.00 C ATOM 667 C GLY A 45 -4.972 3.842 2.025 1.00 0.00 C ATOM 668 O GLY A 45 -5.673 4.848 2.152 1.00 0.00 O ATOM 0 H GLY A 45 -4.407 0.858 1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.438 2.760 0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.878 1.941 2.361 1.00 0.00 H new ATOM 672 N MET A 46 -3.680 3.816 2.312 1.00 0.00 N ATOM 673 CA MET A 46 -2.993 4.986 2.811 1.00 0.00 C ATOM 674 C MET A 46 -2.736 5.984 1.686 1.00 0.00 C ATOM 675 O MET A 46 -3.167 7.129 1.774 1.00 0.00 O ATOM 676 CB MET A 46 -1.698 4.574 3.507 1.00 0.00 C ATOM 677 CG MET A 46 -1.936 4.045 4.915 1.00 0.00 C ATOM 678 SD MET A 46 -2.962 2.565 4.944 1.00 0.00 S ATOM 679 CE MET A 46 -3.836 2.810 6.485 1.00 0.00 C ATOM 0 H MET A 46 -3.088 2.992 2.206 1.00 0.00 H new ATOM 0 HA MET A 46 -3.627 5.484 3.545 1.00 0.00 H new ATOM 0 HB2 MET A 46 -1.198 3.808 2.914 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.025 5.431 3.553 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.976 3.825 5.382 1.00 0.00 H new ATOM 0 HG3 MET A 46 -2.411 4.822 5.514 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.814 1.888 7.066 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.357 3.608 7.052 1.00 0.00 H new ATOM 0 HE3 MET A 46 -4.870 3.084 6.277 1.00 0.00 H new ATOM 689 N LEU A 47 -2.035 5.569 0.631 1.00 0.00 N ATOM 690 CA LEU A 47 -1.755 6.479 -0.466 1.00 0.00 C ATOM 691 C LEU A 47 -3.051 7.023 -1.054 1.00 0.00 C ATOM 692 O LEU A 47 -3.038 8.028 -1.768 1.00 0.00 O ATOM 693 CB LEU A 47 -0.956 5.784 -1.564 1.00 0.00 C ATOM 694 CG LEU A 47 0.491 5.434 -1.229 1.00 0.00 C ATOM 695 CD1 LEU A 47 1.436 6.517 -1.760 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.689 5.219 0.265 1.00 0.00 C ATOM 0 H LEU A 47 -1.660 4.627 0.518 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.164 7.304 -0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.476 4.865 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.958 6.425 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 47 0.730 4.491 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.465 6.255 -1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.330 6.594 -2.842 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.186 7.474 -1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.732 4.972 0.462 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.424 6.130 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.052 4.401 0.602 1.00 0.00 H new ATOM 708 N LEU A 48 -4.163 6.337 -0.783 1.00 0.00 N ATOM 709 CA LEU A 48 -5.475 6.726 -1.306 1.00 0.00 C ATOM 710 C LEU A 48 -5.899 8.136 -0.872 1.00 0.00 C ATOM 711 O LEU A 48 -7.084 8.466 -0.909 1.00 0.00 O ATOM 712 CB LEU A 48 -6.524 5.711 -0.847 1.00 0.00 C ATOM 713 CG LEU A 48 -7.285 5.013 -1.977 1.00 0.00 C ATOM 714 CD1 LEU A 48 -6.331 4.219 -2.851 1.00 0.00 C ATOM 715 CD2 LEU A 48 -8.364 4.102 -1.411 1.00 0.00 C ATOM 0 H LEU A 48 -4.181 5.501 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.398 6.738 -2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.032 4.953 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.243 6.219 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.763 5.777 -2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.890 3.730 -3.649 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.591 4.891 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.826 3.465 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.894 3.614 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.905 3.346 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.067 4.692 -0.823 1.00 0.00 H new ATOM 727 N GLU A 49 -4.938 8.963 -0.479 1.00 0.00 N ATOM 728 CA GLU A 49 -5.228 10.324 -0.064 1.00 0.00 C ATOM 729 C GLU A 49 -5.537 11.204 -1.274 1.00 0.00 C ATOM 730 O GLU A 49 -5.950 12.353 -1.124 1.00 0.00 O ATOM 731 CB GLU A 49 -4.034 10.894 0.705 1.00 0.00 C ATOM 732 CG GLU A 49 -4.428 11.798 1.859 1.00 0.00 C ATOM 733 CD GLU A 49 -4.464 13.262 1.467 1.00 0.00 C ATOM 734 OE1 GLU A 49 -3.866 13.614 0.428 1.00 0.00 O ATOM 735 OE2 GLU A 49 -5.094 14.056 2.196 1.00 0.00 O ATOM 0 H GLU A 49 -3.950 8.711 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.104 10.311 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.433 10.070 1.089 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.403 11.454 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.409 11.501 2.230 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.723 11.663 2.679 1.00 0.00 H new ATOM 742 N ILE A 50 -5.321 10.663 -2.477 1.00 0.00 N ATOM 743 CA ILE A 50 -5.565 11.411 -3.703 1.00 0.00 C ATOM 744 C ILE A 50 -6.792 10.879 -4.467 1.00 0.00 C ATOM 745 O ILE A 50 -7.336 9.827 -4.128 1.00 0.00 O ATOM 746 CB ILE A 50 -4.303 11.408 -4.597 1.00 0.00 C ATOM 747 CG1 ILE A 50 -4.157 12.753 -5.317 1.00 0.00 C ATOM 748 CG2 ILE A 50 -4.323 10.251 -5.584 1.00 0.00 C ATOM 749 CD1 ILE A 50 -2.843 13.451 -5.028 1.00 0.00 C ATOM 0 H ILE A 50 -4.979 9.713 -2.622 1.00 0.00 H new ATOM 0 HA ILE A 50 -5.789 12.441 -3.425 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.433 11.267 -3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -4.246 12.593 -6.391 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.979 13.405 -5.022 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.422 10.279 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.362 9.308 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.200 10.335 -6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.806 14.396 -5.569 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.760 13.642 -3.958 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.016 12.817 -5.348 1.00 0.00 H new ATOM 761 N ASP A 51 -7.202 11.603 -5.515 1.00 0.00 N ATOM 762 CA ASP A 51 -8.338 11.206 -6.353 1.00 0.00 C ATOM 763 C ASP A 51 -7.985 10.039 -7.278 1.00 0.00 C ATOM 764 O ASP A 51 -6.851 9.929 -7.735 1.00 0.00 O ATOM 765 CB ASP A 51 -8.824 12.394 -7.185 1.00 0.00 C ATOM 766 CG ASP A 51 -10.161 12.131 -7.856 1.00 0.00 C ATOM 767 OD1 ASP A 51 -10.172 11.487 -8.928 1.00 0.00 O ATOM 768 OD2 ASP A 51 -11.195 12.568 -7.310 1.00 0.00 O ATOM 0 H ASP A 51 -6.759 12.475 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 51 -9.134 10.876 -5.685 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.910 13.271 -6.543 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.080 12.628 -7.946 1.00 0.00 H new ATOM 773 N ASN A 52 -8.971 9.190 -7.586 1.00 0.00 N ATOM 774 CA ASN A 52 -8.754 8.059 -8.494 1.00 0.00 C ATOM 775 C ASN A 52 -8.101 8.526 -9.795 1.00 0.00 C ATOM 776 O ASN A 52 -7.464 7.746 -10.501 1.00 0.00 O ATOM 777 CB ASN A 52 -10.085 7.364 -8.822 1.00 0.00 C ATOM 778 CG ASN A 52 -9.896 6.069 -9.604 1.00 0.00 C ATOM 779 OD1 ASN A 52 -10.969 5.286 -9.741 1.00 0.00 O flip ATOM 780 ND2 ASN A 52 -8.801 5.772 -10.079 1.00 0.00 N flip ATOM 0 H ASN A 52 -9.921 9.263 -7.223 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.092 7.354 -7.991 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.616 7.149 -7.895 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -10.712 8.044 -9.399 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -8.004 6.396 -9.953 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -8.690 4.901 -10.599 1.00 0.00 H new ATOM 787 N SER A 53 -8.292 9.802 -10.119 1.00 0.00 N ATOM 788 CA SER A 53 -7.752 10.370 -11.352 1.00 0.00 C ATOM 789 C SER A 53 -6.235 10.553 -11.295 1.00 0.00 C ATOM 790 O SER A 53 -5.562 10.507 -12.325 1.00 0.00 O ATOM 791 CB SER A 53 -8.428 11.711 -11.645 1.00 0.00 C ATOM 792 OG SER A 53 -9.225 11.636 -12.817 1.00 0.00 O ATOM 0 H SER A 53 -8.816 10.463 -9.545 1.00 0.00 H new ATOM 0 HA SER A 53 -7.962 9.663 -12.155 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.049 12.002 -10.797 1.00 0.00 H new ATOM 0 HB3 SER A 53 -7.670 12.485 -11.766 1.00 0.00 H new ATOM 0 HG SER A 53 -9.647 12.505 -12.981 1.00 0.00 H new ATOM 798 N GLU A 54 -5.698 10.759 -10.096 1.00 0.00 N ATOM 799 CA GLU A 54 -4.260 10.950 -9.933 1.00 0.00 C ATOM 800 C GLU A 54 -3.522 9.618 -10.022 1.00 0.00 C ATOM 801 O GLU A 54 -2.451 9.527 -10.623 1.00 0.00 O ATOM 802 CB GLU A 54 -3.963 11.630 -8.598 1.00 0.00 C ATOM 803 CG GLU A 54 -3.277 12.981 -8.743 1.00 0.00 C ATOM 804 CD GLU A 54 -1.794 12.855 -9.032 1.00 0.00 C ATOM 805 OE1 GLU A 54 -1.167 11.905 -8.520 1.00 0.00 O ATOM 806 OE2 GLU A 54 -1.258 13.711 -9.770 1.00 0.00 O ATOM 0 H GLU A 54 -6.233 10.798 -9.228 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.908 11.591 -10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.897 11.763 -8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -3.333 10.974 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.754 13.542 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.417 13.555 -7.827 1.00 0.00 H new ATOM 813 N LEU A 55 -4.108 8.588 -9.424 1.00 0.00 N ATOM 814 CA LEU A 55 -3.517 7.258 -9.437 1.00 0.00 C ATOM 815 C LEU A 55 -3.369 6.755 -10.862 1.00 0.00 C ATOM 816 O LEU A 55 -2.419 6.043 -11.190 1.00 0.00 O ATOM 817 CB LEU A 55 -4.377 6.290 -8.629 1.00 0.00 C ATOM 818 CG LEU A 55 -4.445 6.597 -7.136 1.00 0.00 C ATOM 819 CD1 LEU A 55 -5.634 7.485 -6.809 1.00 0.00 C ATOM 820 CD2 LEU A 55 -4.520 5.316 -6.345 1.00 0.00 C ATOM 0 H LEU A 55 -4.994 8.650 -8.923 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.528 7.317 -8.983 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.389 6.297 -9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.988 5.281 -8.762 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.538 7.135 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.655 7.686 -5.738 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.546 8.426 -7.353 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.555 6.982 -7.102 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.568 5.548 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.411 4.760 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.635 4.712 -6.545 1.00 0.00 H new ATOM 832 N LEU A 56 -4.312 7.142 -11.709 1.00 0.00 N ATOM 833 CA LEU A 56 -4.285 6.748 -13.107 1.00 0.00 C ATOM 834 C LEU A 56 -3.060 7.345 -13.790 1.00 0.00 C ATOM 835 O LEU A 56 -2.338 6.657 -14.511 1.00 0.00 O ATOM 836 CB LEU A 56 -5.562 7.213 -13.805 1.00 0.00 C ATOM 837 CG LEU A 56 -6.640 6.139 -13.951 1.00 0.00 C ATOM 838 CD1 LEU A 56 -7.985 6.660 -13.466 1.00 0.00 C ATOM 839 CD2 LEU A 56 -6.731 5.670 -15.396 1.00 0.00 C ATOM 0 H LEU A 56 -5.105 7.729 -11.451 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.228 5.661 -13.171 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.978 8.053 -13.248 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -5.303 7.585 -14.796 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.364 5.286 -13.331 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.739 5.881 -13.578 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -7.909 6.943 -12.416 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.272 7.530 -14.056 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -7.503 4.905 -15.482 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.983 6.514 -16.037 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.772 5.254 -15.704 1.00 0.00 H new ATOM 851 N HIS A 57 -2.834 8.632 -13.546 1.00 0.00 N ATOM 852 CA HIS A 57 -1.697 9.337 -14.122 1.00 0.00 C ATOM 853 C HIS A 57 -0.385 8.667 -13.718 1.00 0.00 C ATOM 854 O HIS A 57 0.515 8.500 -14.541 1.00 0.00 O ATOM 855 CB HIS A 57 -1.693 10.801 -13.671 1.00 0.00 C ATOM 856 CG HIS A 57 -2.280 11.746 -14.674 1.00 0.00 C ATOM 857 ND1 HIS A 57 -2.381 11.458 -16.019 1.00 0.00 N ATOM 858 CD2 HIS A 57 -2.792 12.992 -14.522 1.00 0.00 C ATOM 859 CE1 HIS A 57 -2.926 12.482 -16.652 1.00 0.00 C ATOM 860 NE2 HIS A 57 -3.186 13.425 -15.765 1.00 0.00 N ATOM 0 H HIS A 57 -3.427 9.209 -12.950 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.789 9.299 -15.207 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -2.250 10.885 -12.738 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.667 11.103 -13.459 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.875 13.542 -13.596 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.125 12.538 -17.712 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.611 14.329 -15.970 1.00 0.00 H new ATOM 868 N MET A 58 -0.287 8.282 -12.449 1.00 0.00 N ATOM 869 CA MET A 58 0.912 7.624 -11.935 1.00 0.00 C ATOM 870 C MET A 58 1.185 6.335 -12.704 1.00 0.00 C ATOM 871 O MET A 58 2.320 6.049 -13.082 1.00 0.00 O ATOM 872 CB MET A 58 0.752 7.331 -10.440 1.00 0.00 C ATOM 873 CG MET A 58 0.654 8.583 -9.583 1.00 0.00 C ATOM 874 SD MET A 58 -0.166 8.286 -8.006 1.00 0.00 S ATOM 875 CE MET A 58 1.077 7.319 -7.152 1.00 0.00 C ATOM 0 H MET A 58 -1.024 8.414 -11.756 1.00 0.00 H new ATOM 0 HA MET A 58 1.763 8.292 -12.072 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.143 6.727 -10.290 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.599 6.735 -10.102 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.656 8.971 -9.399 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.110 9.352 -10.131 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.872 7.327 -6.081 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.054 6.292 -7.518 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.062 7.748 -7.336 1.00 0.00 H new ATOM 885 N LEU A 59 0.130 5.559 -12.926 1.00 0.00 N ATOM 886 CA LEU A 59 0.249 4.293 -13.643 1.00 0.00 C ATOM 887 C LEU A 59 0.779 4.527 -15.060 1.00 0.00 C ATOM 888 O LEU A 59 1.398 3.642 -15.651 1.00 0.00 O ATOM 889 CB LEU A 59 -1.107 3.574 -13.689 1.00 0.00 C ATOM 890 CG LEU A 59 -1.257 2.521 -14.796 1.00 0.00 C ATOM 891 CD1 LEU A 59 -1.852 1.232 -14.245 1.00 0.00 C ATOM 892 CD2 LEU A 59 -2.117 3.064 -15.928 1.00 0.00 C ATOM 0 H LEU A 59 -0.817 5.783 -12.620 1.00 0.00 H new ATOM 0 HA LEU A 59 0.958 3.660 -13.110 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.276 3.091 -12.726 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.891 4.321 -13.813 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.265 2.294 -15.188 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.948 0.503 -15.049 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -1.199 0.833 -13.469 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.835 1.437 -13.822 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.215 2.307 -16.706 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.105 3.320 -15.544 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.648 3.955 -16.346 1.00 0.00 H new ATOM 904 N GLU A 60 0.552 5.723 -15.595 1.00 0.00 N ATOM 905 CA GLU A 60 1.033 6.062 -16.932 1.00 0.00 C ATOM 906 C GLU A 60 2.324 6.882 -16.858 1.00 0.00 C ATOM 907 O GLU A 60 2.961 7.142 -17.879 1.00 0.00 O ATOM 908 CB GLU A 60 -0.029 6.848 -17.711 1.00 0.00 C ATOM 909 CG GLU A 60 -1.390 6.171 -17.762 1.00 0.00 C ATOM 910 CD GLU A 60 -1.652 5.491 -19.092 1.00 0.00 C ATOM 911 OE1 GLU A 60 -0.688 4.976 -19.698 1.00 0.00 O ATOM 912 OE2 GLU A 60 -2.823 5.474 -19.530 1.00 0.00 O ATOM 0 H GLU A 60 0.041 6.471 -15.127 1.00 0.00 H new ATOM 0 HA GLU A 60 1.238 5.127 -17.454 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.142 7.833 -17.258 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.325 7.005 -18.730 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -1.455 5.434 -16.962 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -2.168 6.912 -17.577 1.00 0.00 H new ATOM 919 N SER A 61 2.699 7.291 -15.647 1.00 0.00 N ATOM 920 CA SER A 61 3.904 8.088 -15.444 1.00 0.00 C ATOM 921 C SER A 61 4.626 7.678 -14.159 1.00 0.00 C ATOM 922 O SER A 61 4.374 8.237 -13.091 1.00 0.00 O ATOM 923 CB SER A 61 3.541 9.574 -15.392 1.00 0.00 C ATOM 924 OG SER A 61 3.689 10.179 -16.664 1.00 0.00 O ATOM 0 H SER A 61 2.184 7.082 -14.792 1.00 0.00 H new ATOM 0 HA SER A 61 4.578 7.909 -16.282 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.513 9.689 -15.049 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.178 10.082 -14.668 1.00 0.00 H new ATOM 0 HG SER A 61 3.450 11.127 -16.605 1.00 0.00 H new ATOM 930 N PRO A 62 5.540 6.694 -14.249 1.00 0.00 N ATOM 931 CA PRO A 62 6.301 6.211 -13.090 1.00 0.00 C ATOM 932 C PRO A 62 6.949 7.351 -12.305 1.00 0.00 C ATOM 933 O PRO A 62 7.169 7.240 -11.098 1.00 0.00 O ATOM 934 CB PRO A 62 7.373 5.317 -13.717 1.00 0.00 C ATOM 935 CG PRO A 62 6.770 4.847 -14.997 1.00 0.00 C ATOM 936 CD PRO A 62 5.906 5.978 -15.486 1.00 0.00 C ATOM 0 HA PRO A 62 5.665 5.696 -12.370 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.296 5.869 -13.893 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.622 4.480 -13.065 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.543 4.602 -15.726 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.180 3.944 -14.842 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.445 6.624 -16.179 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.025 5.611 -16.013 1.00 0.00 H new ATOM 944 N GLU A 63 7.255 8.440 -13.002 1.00 0.00 N ATOM 945 CA GLU A 63 7.885 9.603 -12.381 1.00 0.00 C ATOM 946 C GLU A 63 7.067 10.129 -11.203 1.00 0.00 C ATOM 947 O GLU A 63 7.564 10.216 -10.082 1.00 0.00 O ATOM 948 CB GLU A 63 8.095 10.714 -13.414 1.00 0.00 C ATOM 949 CG GLU A 63 6.934 10.896 -14.383 1.00 0.00 C ATOM 950 CD GLU A 63 7.360 10.777 -15.835 1.00 0.00 C ATOM 951 OE1 GLU A 63 7.381 9.642 -16.357 1.00 0.00 O ATOM 952 OE2 GLU A 63 7.675 11.818 -16.448 1.00 0.00 O ATOM 0 H GLU A 63 7.077 8.543 -14.001 1.00 0.00 H new ATOM 0 HA GLU A 63 8.854 9.283 -11.998 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.266 11.654 -12.890 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.999 10.498 -13.984 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.168 10.150 -14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.480 11.874 -14.221 1.00 0.00 H new ATOM 959 N SER A 64 5.811 10.473 -11.460 1.00 0.00 N ATOM 960 CA SER A 64 4.926 10.982 -10.415 1.00 0.00 C ATOM 961 C SER A 64 4.502 9.847 -9.501 1.00 0.00 C ATOM 962 O SER A 64 4.230 10.040 -8.316 1.00 0.00 O ATOM 963 CB SER A 64 3.694 11.644 -11.037 1.00 0.00 C ATOM 964 OG SER A 64 3.986 12.964 -11.459 1.00 0.00 O ATOM 0 H SER A 64 5.381 10.409 -12.383 1.00 0.00 H new ATOM 0 HA SER A 64 5.464 11.729 -9.831 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.350 11.054 -11.887 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.881 11.662 -10.311 1.00 0.00 H new ATOM 0 HG SER A 64 3.184 13.366 -11.855 1.00 0.00 H new ATOM 970 N LEU A 65 4.431 8.660 -10.082 1.00 0.00 N ATOM 971 CA LEU A 65 4.032 7.475 -9.354 1.00 0.00 C ATOM 972 C LEU A 65 4.951 7.249 -8.161 1.00 0.00 C ATOM 973 O LEU A 65 4.508 7.262 -7.012 1.00 0.00 O ATOM 974 CB LEU A 65 4.070 6.260 -10.289 1.00 0.00 C ATOM 975 CG LEU A 65 4.034 4.887 -9.609 1.00 0.00 C ATOM 976 CD1 LEU A 65 5.430 4.463 -9.182 1.00 0.00 C ATOM 977 CD2 LEU A 65 3.085 4.899 -8.418 1.00 0.00 C ATOM 0 H LEU A 65 4.648 8.495 -11.065 1.00 0.00 H new ATOM 0 HA LEU A 65 3.016 7.612 -8.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.224 6.327 -10.973 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.975 6.320 -10.894 1.00 0.00 H new ATOM 0 HG LEU A 65 3.663 4.159 -10.330 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.382 3.486 -8.701 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.077 4.406 -10.058 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.833 5.193 -8.480 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.075 3.914 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.420 5.641 -7.693 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.080 5.150 -8.756 1.00 0.00 H new ATOM 989 N ARG A 66 6.226 7.037 -8.437 1.00 0.00 N ATOM 990 CA ARG A 66 7.199 6.794 -7.379 1.00 0.00 C ATOM 991 C ARG A 66 7.232 7.940 -6.375 1.00 0.00 C ATOM 992 O ARG A 66 7.506 7.736 -5.192 1.00 0.00 O ATOM 993 CB ARG A 66 8.586 6.585 -7.984 1.00 0.00 C ATOM 994 CG ARG A 66 9.353 5.420 -7.374 1.00 0.00 C ATOM 995 CD ARG A 66 10.757 5.314 -7.953 1.00 0.00 C ATOM 996 NE ARG A 66 11.423 6.613 -8.045 1.00 0.00 N ATOM 997 CZ ARG A 66 12.662 6.782 -8.507 1.00 0.00 C ATOM 998 NH1 ARG A 66 13.385 5.735 -8.883 1.00 0.00 N ATOM 999 NH2 ARG A 66 13.184 7.999 -8.588 1.00 0.00 N ATOM 0 H ARG A 66 6.614 7.028 -9.380 1.00 0.00 H new ATOM 0 HA ARG A 66 6.897 5.893 -6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.483 6.418 -9.056 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.169 7.497 -7.858 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.412 5.548 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.812 4.491 -7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.354 4.646 -7.331 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.705 4.865 -8.945 1.00 0.00 H new ATOM 0 HE ARG A 66 10.909 7.439 -7.737 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.993 4.795 -8.819 1.00 0.00 H new ATOM 0 HH12 ARG A 66 14.333 5.870 -9.236 1.00 0.00 H new ATOM 0 HH21 ARG A 66 12.637 8.809 -8.296 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.132 8.125 -8.942 1.00 0.00 H new ATOM 1013 N SER A 67 6.955 9.141 -6.859 1.00 0.00 N ATOM 1014 CA SER A 67 6.953 10.329 -6.012 1.00 0.00 C ATOM 1015 C SER A 67 6.011 10.165 -4.816 1.00 0.00 C ATOM 1016 O SER A 67 6.370 10.496 -3.687 1.00 0.00 O ATOM 1017 CB SER A 67 6.539 11.551 -6.829 1.00 0.00 C ATOM 1018 OG SER A 67 7.629 12.065 -7.575 1.00 0.00 O ATOM 0 H SER A 67 6.728 9.321 -7.837 1.00 0.00 H new ATOM 0 HA SER A 67 7.964 10.467 -5.630 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.728 11.281 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.155 12.324 -6.163 1.00 0.00 H new ATOM 0 HG SER A 67 7.723 11.558 -8.409 1.00 0.00 H new ATOM 1024 N LYS A 68 4.803 9.675 -5.074 1.00 0.00 N ATOM 1025 CA LYS A 68 3.806 9.492 -4.017 1.00 0.00 C ATOM 1026 C LYS A 68 4.079 8.226 -3.200 1.00 0.00 C ATOM 1027 O LYS A 68 4.064 8.256 -1.970 1.00 0.00 O ATOM 1028 CB LYS A 68 2.396 9.441 -4.615 1.00 0.00 C ATOM 1029 CG LYS A 68 2.219 10.317 -5.849 1.00 0.00 C ATOM 1030 CD LYS A 68 1.141 11.376 -5.644 1.00 0.00 C ATOM 1031 CE LYS A 68 1.626 12.761 -6.057 1.00 0.00 C ATOM 1032 NZ LYS A 68 0.804 13.338 -7.158 1.00 0.00 N ATOM 0 H LYS A 68 4.488 9.397 -6.003 1.00 0.00 H new ATOM 0 HA LYS A 68 3.877 10.347 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.159 8.410 -4.876 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.678 9.750 -3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.165 10.803 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.957 9.693 -6.703 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.257 11.112 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.842 11.393 -4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.595 13.427 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.667 12.700 -6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.430 13.710 -7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.193 12.598 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.215 14.109 -6.784 1.00 0.00 H new ATOM 1046 N VAL A 69 4.331 7.117 -3.891 1.00 0.00 N ATOM 1047 CA VAL A 69 4.612 5.843 -3.231 1.00 0.00 C ATOM 1048 C VAL A 69 5.801 5.978 -2.289 1.00 0.00 C ATOM 1049 O VAL A 69 5.707 5.687 -1.096 1.00 0.00 O ATOM 1050 CB VAL A 69 4.916 4.730 -4.260 1.00 0.00 C ATOM 1051 CG1 VAL A 69 5.031 3.373 -3.575 1.00 0.00 C ATOM 1052 CG2 VAL A 69 3.850 4.697 -5.346 1.00 0.00 C ATOM 0 H VAL A 69 4.347 7.074 -4.910 1.00 0.00 H new ATOM 0 HA VAL A 69 3.721 5.571 -2.665 1.00 0.00 H new ATOM 0 HB VAL A 69 5.874 4.954 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 69 5.245 2.606 -4.320 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.838 3.402 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.093 3.138 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.082 3.907 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.877 4.504 -4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.826 5.657 -5.862 1.00 0.00 H new ATOM 1062 N ASP A 70 6.916 6.440 -2.839 1.00 0.00 N ATOM 1063 CA ASP A 70 8.140 6.643 -2.068 1.00 0.00 C ATOM 1064 C ASP A 70 7.838 7.389 -0.770 1.00 0.00 C ATOM 1065 O ASP A 70 8.153 6.920 0.321 1.00 0.00 O ATOM 1066 CB ASP A 70 9.150 7.435 -2.900 1.00 0.00 C ATOM 1067 CG ASP A 70 10.539 7.428 -2.295 1.00 0.00 C ATOM 1068 OD1 ASP A 70 10.661 7.706 -1.085 1.00 0.00 O ATOM 1069 OD2 ASP A 70 11.506 7.146 -3.034 1.00 0.00 O ATOM 0 H ASP A 70 7.000 6.684 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 70 8.561 5.669 -1.819 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.194 7.017 -3.905 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.806 8.465 -2.998 1.00 0.00 H new ATOM 1074 N GLU A 71 7.227 8.560 -0.913 1.00 0.00 N ATOM 1075 CA GLU A 71 6.865 9.398 0.229 1.00 0.00 C ATOM 1076 C GLU A 71 6.109 8.603 1.286 1.00 0.00 C ATOM 1077 O GLU A 71 6.553 8.499 2.430 1.00 0.00 O ATOM 1078 CB GLU A 71 6.023 10.580 -0.257 1.00 0.00 C ATOM 1079 CG GLU A 71 6.815 11.584 -1.084 1.00 0.00 C ATOM 1080 CD GLU A 71 7.821 12.368 -0.264 1.00 0.00 C ATOM 1081 OE1 GLU A 71 8.655 11.734 0.419 1.00 0.00 O ATOM 1082 OE2 GLU A 71 7.776 13.613 -0.305 1.00 0.00 O ATOM 0 H GLU A 71 6.969 8.955 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 71 7.780 9.768 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.192 10.204 -0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.592 11.089 0.605 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.338 11.057 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.124 12.279 -1.561 1.00 0.00 H new ATOM 1089 N ALA A 72 4.975 8.037 0.907 1.00 0.00 N ATOM 1090 CA ALA A 72 4.179 7.247 1.837 1.00 0.00 C ATOM 1091 C ALA A 72 5.043 6.241 2.588 1.00 0.00 C ATOM 1092 O ALA A 72 4.872 6.038 3.787 1.00 0.00 O ATOM 1093 CB ALA A 72 3.072 6.548 1.093 1.00 0.00 C ATOM 0 H ALA A 72 4.585 8.108 -0.033 1.00 0.00 H new ATOM 0 HA ALA A 72 3.742 7.919 2.576 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.479 5.958 1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.434 7.288 0.611 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.501 5.891 0.337 1.00 0.00 H new ATOM 1099 N VAL A 73 5.981 5.622 1.882 1.00 0.00 N ATOM 1100 CA VAL A 73 6.872 4.657 2.508 1.00 0.00 C ATOM 1101 C VAL A 73 7.514 5.282 3.738 1.00 0.00 C ATOM 1102 O VAL A 73 7.713 4.625 4.750 1.00 0.00 O ATOM 1103 CB VAL A 73 7.963 4.163 1.535 1.00 0.00 C ATOM 1104 CG1 VAL A 73 8.850 3.108 2.188 1.00 0.00 C ATOM 1105 CG2 VAL A 73 7.328 3.618 0.266 1.00 0.00 C ATOM 0 H VAL A 73 6.143 5.770 0.886 1.00 0.00 H new ATOM 0 HA VAL A 73 6.278 3.790 2.798 1.00 0.00 H new ATOM 0 HB VAL A 73 8.595 5.012 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.609 2.780 1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.335 3.534 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.241 2.255 2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.108 3.273 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.671 2.785 0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.749 4.405 -0.218 1.00 0.00 H new ATOM 1115 N ALA A 74 7.806 6.575 3.644 1.00 0.00 N ATOM 1116 CA ALA A 74 8.394 7.311 4.753 1.00 0.00 C ATOM 1117 C ALA A 74 7.354 7.560 5.845 1.00 0.00 C ATOM 1118 O ALA A 74 7.540 7.155 6.991 1.00 0.00 O ATOM 1119 CB ALA A 74 8.980 8.623 4.260 1.00 0.00 C ATOM 0 H ALA A 74 7.644 7.135 2.807 1.00 0.00 H new ATOM 0 HA ALA A 74 9.198 6.712 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.417 9.164 5.099 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.752 8.421 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.192 9.227 3.809 1.00 0.00 H new ATOM 1125 N VAL A 75 6.260 8.234 5.486 1.00 0.00 N ATOM 1126 CA VAL A 75 5.198 8.528 6.450 1.00 0.00 C ATOM 1127 C VAL A 75 4.523 7.252 6.949 1.00 0.00 C ATOM 1128 O VAL A 75 4.559 6.944 8.138 1.00 0.00 O ATOM 1129 CB VAL A 75 4.098 9.448 5.869 1.00 0.00 C ATOM 1130 CG1 VAL A 75 3.702 10.509 6.888 1.00 0.00 C ATOM 1131 CG2 VAL A 75 4.540 10.093 4.571 1.00 0.00 C ATOM 0 H VAL A 75 6.087 8.584 4.544 1.00 0.00 H new ATOM 0 HA VAL A 75 5.695 9.042 7.273 1.00 0.00 H new ATOM 0 HB VAL A 75 3.228 8.830 5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.927 11.149 6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.322 10.025 7.788 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.573 11.113 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.742 10.732 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.432 10.693 4.748 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.764 9.318 3.837 1.00 0.00 H new ATOM 1141 N LEU A 76 3.886 6.525 6.031 1.00 0.00 N ATOM 1142 CA LEU A 76 3.171 5.293 6.364 1.00 0.00 C ATOM 1143 C LEU A 76 4.029 4.329 7.174 1.00 0.00 C ATOM 1144 O LEU A 76 3.707 4.004 8.317 1.00 0.00 O ATOM 1145 CB LEU A 76 2.705 4.598 5.084 1.00 0.00 C ATOM 1146 CG LEU A 76 1.397 3.816 5.203 1.00 0.00 C ATOM 1147 CD1 LEU A 76 1.254 2.832 4.053 1.00 0.00 C ATOM 1148 CD2 LEU A 76 1.326 3.085 6.536 1.00 0.00 C ATOM 0 H LEU A 76 3.851 6.771 5.042 1.00 0.00 H new ATOM 0 HA LEU A 76 2.314 5.574 6.976 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.590 5.350 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.488 3.915 4.755 1.00 0.00 H new ATOM 0 HG LEU A 76 0.572 4.527 5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.317 2.285 4.156 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.255 3.375 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.087 2.130 4.069 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.387 2.535 6.600 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.161 2.388 6.614 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.379 3.807 7.350 1.00 0.00 H new ATOM 1160 N GLN A 77 5.108 3.854 6.565 1.00 0.00 N ATOM 1161 CA GLN A 77 5.991 2.905 7.226 1.00 0.00 C ATOM 1162 C GLN A 77 6.373 3.411 8.616 1.00 0.00 C ATOM 1163 O GLN A 77 6.577 2.625 9.542 1.00 0.00 O ATOM 1164 CB GLN A 77 7.246 2.675 6.388 1.00 0.00 C ATOM 1165 CG GLN A 77 8.113 1.526 6.870 1.00 0.00 C ATOM 1166 CD GLN A 77 9.223 1.995 7.787 1.00 0.00 C ATOM 1167 OE1 GLN A 77 9.354 1.524 8.916 1.00 0.00 O ATOM 1168 NE2 GLN A 77 10.028 2.939 7.307 1.00 0.00 N ATOM 0 H GLN A 77 5.391 4.110 5.619 1.00 0.00 H new ATOM 0 HA GLN A 77 5.462 1.958 7.332 1.00 0.00 H new ATOM 0 HB2 GLN A 77 6.951 2.485 5.356 1.00 0.00 H new ATOM 0 HB3 GLN A 77 7.841 3.588 6.386 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.492 0.800 7.395 1.00 0.00 H new ATOM 0 HG3 GLN A 77 8.546 1.014 6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.884 3.302 6.365 1.00 0.00 H new ATOM 0 HE22 GLN A 77 10.790 3.300 7.881 1.00 0.00 H new ATOM 1177 N ALA A 78 6.445 4.730 8.757 1.00 0.00 N ATOM 1178 CA ALA A 78 6.779 5.338 10.038 1.00 0.00 C ATOM 1179 C ALA A 78 5.548 5.410 10.941 1.00 0.00 C ATOM 1180 O ALA A 78 5.646 5.229 12.153 1.00 0.00 O ATOM 1181 CB ALA A 78 7.372 6.725 9.828 1.00 0.00 C ATOM 0 H ALA A 78 6.277 5.396 8.003 1.00 0.00 H new ATOM 0 HA ALA A 78 7.524 4.714 10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 78 7.616 7.166 10.794 1.00 0.00 H new ATOM 0 HB2 ALA A 78 8.277 6.646 9.226 1.00 0.00 H new ATOM 0 HB3 ALA A 78 6.648 7.356 9.314 1.00 0.00 H new ATOM 1187 N HIS A 79 4.390 5.675 10.337 1.00 0.00 N ATOM 1188 CA HIS A 79 3.135 5.776 11.077 1.00 0.00 C ATOM 1189 C HIS A 79 2.613 4.394 11.467 1.00 0.00 C ATOM 1190 O HIS A 79 1.863 4.255 12.434 1.00 0.00 O ATOM 1191 CB HIS A 79 2.086 6.525 10.245 1.00 0.00 C ATOM 1192 CG HIS A 79 1.962 7.968 10.607 1.00 0.00 C ATOM 1193 ND1 HIS A 79 1.142 8.424 11.618 1.00 0.00 N ATOM 1194 CD2 HIS A 79 2.561 9.067 10.088 1.00 0.00 C ATOM 1195 CE1 HIS A 79 1.240 9.739 11.703 1.00 0.00 C ATOM 1196 NE2 HIS A 79 2.095 10.152 10.788 1.00 0.00 N ATOM 0 H HIS A 79 4.296 5.824 9.332 1.00 0.00 H new ATOM 0 HA HIS A 79 3.327 6.336 11.992 1.00 0.00 H new ATOM 0 HB2 HIS A 79 2.345 6.444 9.189 1.00 0.00 H new ATOM 0 HB3 HIS A 79 1.118 6.041 10.374 1.00 0.00 H new ATOM 0 HD2 HIS A 79 3.272 9.086 9.275 1.00 0.00 H new ATOM 0 HE1 HIS A 79 0.710 10.368 12.403 1.00 0.00 H new ATOM 0 HE2 HIS A 79 2.366 11.122 10.626 1.00 0.00 H new ATOM 1536 N LYS B 5 5.677 13.401 4.412 1.00 0.00 N ATOM 1537 CA LYS B 5 5.838 13.191 2.979 1.00 0.00 C ATOM 1538 C LYS B 5 4.554 13.517 2.205 1.00 0.00 C ATOM 1539 O LYS B 5 3.600 14.051 2.772 1.00 0.00 O ATOM 1540 CB LYS B 5 6.312 11.766 2.702 1.00 0.00 C ATOM 1541 CG LYS B 5 7.300 11.247 3.736 1.00 0.00 C ATOM 1542 CD LYS B 5 8.688 11.835 3.533 1.00 0.00 C ATOM 1543 CE LYS B 5 9.203 12.502 4.800 1.00 0.00 C ATOM 1544 NZ LYS B 5 10.242 11.682 5.481 1.00 0.00 N ATOM 0 HA LYS B 5 6.602 13.882 2.622 1.00 0.00 H new ATOM 0 HB2 LYS B 5 5.448 11.103 2.671 1.00 0.00 H new ATOM 0 HB3 LYS B 5 6.776 11.730 1.716 1.00 0.00 H new ATOM 0 HG2 LYS B 5 6.943 11.493 4.736 1.00 0.00 H new ATOM 0 HG3 LYS B 5 7.353 10.160 3.675 1.00 0.00 H new ATOM 0 HD2 LYS B 5 9.377 11.047 3.230 1.00 0.00 H new ATOM 0 HD3 LYS B 5 8.661 12.563 2.723 1.00 0.00 H new ATOM 0 HE2 LYS B 5 9.618 13.479 4.552 1.00 0.00 H new ATOM 0 HE3 LYS B 5 8.371 12.673 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 10.893 12.306 5.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 9.786 11.028 6.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 10.774 11.138 4.772 1.00 0.00 H new ATOM 1558 N LEU B 6 4.545 13.221 0.902 1.00 0.00 N ATOM 1559 CA LEU B 6 3.383 13.518 0.049 1.00 0.00 C ATOM 1560 C LEU B 6 2.169 12.668 0.414 1.00 0.00 C ATOM 1561 O LEU B 6 1.050 13.179 0.495 1.00 0.00 O ATOM 1562 CB LEU B 6 3.719 13.310 -1.433 1.00 0.00 C ATOM 1563 CG LEU B 6 4.815 14.221 -1.991 1.00 0.00 C ATOM 1564 CD1 LEU B 6 5.272 13.716 -3.346 1.00 0.00 C ATOM 1565 CD2 LEU B 6 4.322 15.658 -2.094 1.00 0.00 C ATOM 0 H LEU B 6 5.323 12.778 0.414 1.00 0.00 H new ATOM 0 HA LEU B 6 3.133 14.565 0.222 1.00 0.00 H new ATOM 0 HB2 LEU B 6 4.023 12.273 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.812 13.460 -2.018 1.00 0.00 H new ATOM 0 HG LEU B 6 5.663 14.203 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.052 14.371 -3.734 1.00 0.00 H new ATOM 0 HD12 LEU B 6 5.665 12.705 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.428 13.709 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU B 6 5.117 16.288 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.459 15.700 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU B 6 4.037 16.017 -1.105 1.00 0.00 H new ATOM 1577 N SER B 7 2.385 11.384 0.656 1.00 0.00 N ATOM 1578 CA SER B 7 1.292 10.503 1.038 1.00 0.00 C ATOM 1579 C SER B 7 1.472 10.035 2.480 1.00 0.00 C ATOM 1580 O SER B 7 2.552 9.601 2.867 1.00 0.00 O ATOM 1581 CB SER B 7 1.210 9.313 0.084 1.00 0.00 C ATOM 1582 OG SER B 7 1.927 9.572 -1.113 1.00 0.00 O ATOM 0 H SER B 7 3.297 10.932 0.596 1.00 0.00 H new ATOM 0 HA SER B 7 0.354 11.055 0.972 1.00 0.00 H new ATOM 0 HB2 SER B 7 1.614 8.424 0.569 1.00 0.00 H new ATOM 0 HB3 SER B 7 0.167 9.102 -0.151 1.00 0.00 H new ATOM 0 HG SER B 7 2.744 9.032 -1.128 1.00 0.00 H new ATOM 1588 N VAL B 8 0.409 10.135 3.274 1.00 0.00 N ATOM 1589 CA VAL B 8 0.468 9.723 4.676 1.00 0.00 C ATOM 1590 C VAL B 8 -0.338 8.451 4.904 1.00 0.00 C ATOM 1591 O VAL B 8 -0.836 7.846 3.956 1.00 0.00 O ATOM 1592 CB VAL B 8 -0.056 10.829 5.613 1.00 0.00 C ATOM 1593 CG1 VAL B 8 0.810 12.076 5.506 1.00 0.00 C ATOM 1594 CG2 VAL B 8 -1.515 11.145 5.304 1.00 0.00 C ATOM 0 H VAL B 8 -0.497 10.495 2.975 1.00 0.00 H new ATOM 0 HA VAL B 8 1.516 9.534 4.908 1.00 0.00 H new ATOM 0 HB VAL B 8 0.000 10.469 6.640 1.00 0.00 H new ATOM 0 HG11 VAL B 8 0.424 12.845 6.175 1.00 0.00 H new ATOM 0 HG12 VAL B 8 1.835 11.832 5.786 1.00 0.00 H new ATOM 0 HG13 VAL B 8 0.792 12.445 4.480 1.00 0.00 H new ATOM 0 HG21 VAL B 8 -1.868 11.928 5.975 1.00 0.00 H new ATOM 0 HG22 VAL B 8 -1.603 11.485 4.272 1.00 0.00 H new ATOM 0 HG23 VAL B 8 -2.119 10.248 5.443 1.00 0.00 H new ATOM 1604 N ASN B 9 -0.464 8.043 6.160 1.00 0.00 N ATOM 1605 CA ASN B 9 -1.214 6.838 6.489 1.00 0.00 C ATOM 1606 C ASN B 9 -2.726 7.075 6.415 1.00 0.00 C ATOM 1607 O ASN B 9 -3.449 6.785 7.367 1.00 0.00 O ATOM 1608 CB ASN B 9 -0.839 6.354 7.891 1.00 0.00 C ATOM 1609 CG ASN B 9 -1.042 7.424 8.947 1.00 0.00 C ATOM 1610 OD1 ASN B 9 -1.173 8.606 8.636 1.00 0.00 O ATOM 1611 ND2 ASN B 9 -1.065 7.007 10.208 1.00 0.00 N ATOM 0 H ASN B 9 -0.060 8.525 6.963 1.00 0.00 H new ATOM 0 HA ASN B 9 -0.954 6.076 5.754 1.00 0.00 H new ATOM 0 HB2 ASN B 9 -1.440 5.480 8.143 1.00 0.00 H new ATOM 0 HB3 ASN B 9 0.204 6.036 7.896 1.00 0.00 H new ATOM 0 HD21 ASN B 9 -1.196 7.678 10.965 1.00 0.00 H new ATOM 0 HD22 ASN B 9 -0.952 6.016 10.419 1.00 0.00 H new ATOM 1618 N ALA B 10 -3.207 7.620 5.296 1.00 0.00 N ATOM 1619 CA ALA B 10 -4.631 7.899 5.139 1.00 0.00 C ATOM 1620 C ALA B 10 -5.490 6.665 5.438 1.00 0.00 C ATOM 1621 O ALA B 10 -4.972 5.612 5.809 1.00 0.00 O ATOM 1622 CB ALA B 10 -4.899 8.416 3.732 1.00 0.00 C ATOM 0 H ALA B 10 -2.634 7.875 4.492 1.00 0.00 H new ATOM 0 HA ALA B 10 -4.910 8.664 5.863 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -5.963 8.624 3.617 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -4.331 9.331 3.566 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -4.595 7.664 3.004 1.00 0.00 H new ATOM 1628 N PRO B 11 -6.826 6.793 5.292 1.00 0.00 N ATOM 1629 CA PRO B 11 -7.778 5.700 5.554 1.00 0.00 C ATOM 1630 C PRO B 11 -7.397 4.396 4.855 1.00 0.00 C ATOM 1631 O PRO B 11 -6.269 4.239 4.394 1.00 0.00 O ATOM 1632 CB PRO B 11 -9.094 6.249 5.002 1.00 0.00 C ATOM 1633 CG PRO B 11 -8.963 7.727 5.139 1.00 0.00 C ATOM 1634 CD PRO B 11 -7.517 8.030 4.874 1.00 0.00 C ATOM 0 HA PRO B 11 -7.815 5.437 6.611 1.00 0.00 H new ATOM 0 HB2 PRO B 11 -9.242 5.957 3.962 1.00 0.00 H new ATOM 0 HB3 PRO B 11 -9.949 5.872 5.563 1.00 0.00 H new ATOM 0 HG2 PRO B 11 -9.608 8.245 4.430 1.00 0.00 H new ATOM 0 HG3 PRO B 11 -9.256 8.056 6.136 1.00 0.00 H new ATOM 0 HD2 PRO B 11 -7.340 8.254 3.822 1.00 0.00 H new ATOM 0 HD3 PRO B 11 -7.176 8.893 5.445 1.00 0.00 H new ATOM 1642 N GLU B 12 -8.351 3.471 4.748 1.00 0.00 N ATOM 1643 CA GLU B 12 -8.118 2.200 4.071 1.00 0.00 C ATOM 1644 C GLU B 12 -8.287 2.326 2.554 1.00 0.00 C ATOM 1645 O GLU B 12 -8.485 3.421 2.027 1.00 0.00 O ATOM 1646 CB GLU B 12 -9.059 1.131 4.627 1.00 0.00 C ATOM 1647 CG GLU B 12 -8.418 0.267 5.703 1.00 0.00 C ATOM 1648 CD GLU B 12 -8.059 -1.118 5.202 1.00 0.00 C ATOM 1649 OE1 GLU B 12 -7.232 -1.218 4.272 1.00 0.00 O ATOM 1650 OE2 GLU B 12 -8.607 -2.103 5.742 1.00 0.00 O ATOM 0 H GLU B 12 -9.293 3.581 5.123 1.00 0.00 H new ATOM 0 HA GLU B 12 -7.086 1.904 4.261 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.945 1.615 5.039 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -9.395 0.492 3.810 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -7.519 0.760 6.072 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -9.102 0.178 6.547 1.00 0.00 H new ATOM 1657 N PHE B 13 -8.203 1.189 1.861 1.00 0.00 N ATOM 1658 CA PHE B 13 -8.347 1.177 0.404 1.00 0.00 C ATOM 1659 C PHE B 13 -9.724 0.664 -0.011 1.00 0.00 C ATOM 1660 O PHE B 13 -10.065 -0.502 0.194 1.00 0.00 O ATOM 1661 CB PHE B 13 -7.221 0.380 -0.274 1.00 0.00 C ATOM 1662 CG PHE B 13 -7.299 -1.114 -0.137 1.00 0.00 C ATOM 1663 CD1 PHE B 13 -7.106 -1.737 1.087 1.00 0.00 C ATOM 1664 CD2 PHE B 13 -7.541 -1.897 -1.251 1.00 0.00 C ATOM 1665 CE1 PHE B 13 -7.162 -3.115 1.189 1.00 0.00 C ATOM 1666 CE2 PHE B 13 -7.593 -3.270 -1.153 1.00 0.00 C ATOM 1667 CZ PHE B 13 -7.407 -3.878 0.065 1.00 0.00 C ATOM 0 H PHE B 13 -8.038 0.274 2.279 1.00 0.00 H new ATOM 0 HA PHE B 13 -8.261 2.208 0.060 1.00 0.00 H new ATOM 0 HB2 PHE B 13 -7.215 0.628 -1.335 1.00 0.00 H new ATOM 0 HB3 PHE B 13 -6.268 0.714 0.137 1.00 0.00 H new ATOM 0 HD1 PHE B 13 -6.911 -1.142 1.967 1.00 0.00 H new ATOM 0 HD2 PHE B 13 -7.691 -1.425 -2.211 1.00 0.00 H new ATOM 0 HE1 PHE B 13 -7.014 -3.593 2.146 1.00 0.00 H new ATOM 0 HE2 PHE B 13 -7.780 -3.868 -2.033 1.00 0.00 H new ATOM 0 HZ PHE B 13 -7.453 -4.954 0.143 1.00 0.00 H new ATOM 1677 N TYR B 14 -10.498 1.566 -0.628 1.00 0.00 N ATOM 1678 CA TYR B 14 -11.841 1.253 -1.114 1.00 0.00 C ATOM 1679 C TYR B 14 -11.938 1.419 -2.640 1.00 0.00 C ATOM 1680 O TYR B 14 -11.019 1.938 -3.273 1.00 0.00 O ATOM 1681 CB TYR B 14 -12.883 2.120 -0.394 1.00 0.00 C ATOM 1682 CG TYR B 14 -13.682 1.343 0.634 1.00 0.00 C ATOM 1683 CD1 TYR B 14 -13.057 0.779 1.738 1.00 0.00 C ATOM 1684 CD2 TYR B 14 -15.054 1.149 0.489 1.00 0.00 C ATOM 1685 CE1 TYR B 14 -13.772 0.047 2.668 1.00 0.00 C ATOM 1686 CE2 TYR B 14 -15.772 0.413 1.411 1.00 0.00 C ATOM 1687 CZ TYR B 14 -15.127 -0.135 2.499 1.00 0.00 C ATOM 1688 OH TYR B 14 -15.835 -0.877 3.416 1.00 0.00 O ATOM 0 H TYR B 14 -10.209 2.529 -0.802 1.00 0.00 H new ATOM 0 HA TYR B 14 -12.049 0.207 -0.889 1.00 0.00 H new ATOM 0 HB2 TYR B 14 -12.380 2.953 0.097 1.00 0.00 H new ATOM 0 HB3 TYR B 14 -13.564 2.548 -1.130 1.00 0.00 H new ATOM 0 HD1 TYR B 14 -11.994 0.914 1.873 1.00 0.00 H new ATOM 0 HD2 TYR B 14 -15.565 1.581 -0.359 1.00 0.00 H new ATOM 0 HE1 TYR B 14 -13.270 -0.380 3.524 1.00 0.00 H new ATOM 0 HE2 TYR B 14 -16.834 0.267 1.280 1.00 0.00 H new ATOM 0 HH TYR B 14 -16.778 -0.909 3.153 1.00 0.00 H new ATOM 1698 N PRO B 15 -13.063 0.982 -3.248 1.00 0.00 N ATOM 1699 CA PRO B 15 -13.290 1.085 -4.698 1.00 0.00 C ATOM 1700 C PRO B 15 -13.364 2.517 -5.195 1.00 0.00 C ATOM 1701 O PRO B 15 -14.416 3.157 -5.152 1.00 0.00 O ATOM 1702 CB PRO B 15 -14.644 0.426 -4.908 1.00 0.00 C ATOM 1703 CG PRO B 15 -15.306 0.493 -3.579 1.00 0.00 C ATOM 1704 CD PRO B 15 -14.204 0.350 -2.575 1.00 0.00 C ATOM 0 HA PRO B 15 -12.467 0.623 -5.243 1.00 0.00 H new ATOM 0 HB2 PRO B 15 -15.226 0.949 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO B 15 -14.535 -0.605 -5.245 1.00 0.00 H new ATOM 0 HG2 PRO B 15 -15.834 1.438 -3.451 1.00 0.00 H new ATOM 0 HG3 PRO B 15 -16.044 -0.302 -3.468 1.00 0.00 H new ATOM 0 HD2 PRO B 15 -14.446 0.848 -1.636 1.00 0.00 H new ATOM 0 HD3 PRO B 15 -14.005 -0.696 -2.339 1.00 0.00 H new ATOM 1712 N SER B 16 -12.252 3.002 -5.698 1.00 0.00 N ATOM 1713 CA SER B 16 -12.171 4.345 -6.233 1.00 0.00 C ATOM 1714 C SER B 16 -13.256 4.585 -7.271 1.00 0.00 C ATOM 1715 O SER B 16 -14.179 5.372 -7.061 1.00 0.00 O ATOM 1716 CB SER B 16 -10.813 4.522 -6.874 1.00 0.00 C ATOM 1717 OG SER B 16 -10.492 3.389 -7.656 1.00 0.00 O ATOM 0 H SER B 16 -11.378 2.479 -5.749 1.00 0.00 H new ATOM 0 HA SER B 16 -12.312 5.062 -5.424 1.00 0.00 H new ATOM 0 HB2 SER B 16 -10.811 5.416 -7.498 1.00 0.00 H new ATOM 0 HB3 SER B 16 -10.055 4.668 -6.104 1.00 0.00 H new ATOM 0 HG SER B 16 -10.478 3.639 -8.604 1.00 0.00 H new ATOM 1723 N GLY B 17 -13.132 3.894 -8.395 1.00 0.00 N ATOM 1724 CA GLY B 17 -14.098 4.030 -9.461 1.00 0.00 C ATOM 1725 C GLY B 17 -15.299 3.136 -9.250 1.00 0.00 C ATOM 1726 O GLY B 17 -15.665 2.358 -10.131 1.00 0.00 O ATOM 0 H GLY B 17 -12.374 3.238 -8.586 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -14.425 5.068 -9.525 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.626 3.785 -10.412 1.00 0.00 H new ATOM 1730 N TYR B 18 -15.928 3.259 -8.084 1.00 0.00 N ATOM 1731 CA TYR B 18 -17.107 2.468 -7.769 1.00 0.00 C ATOM 1732 C TYR B 18 -18.300 2.973 -8.567 1.00 0.00 C ATOM 1733 O TYR B 18 -18.312 4.115 -9.024 1.00 0.00 O ATOM 1734 CB TYR B 18 -17.410 2.547 -6.274 1.00 0.00 C ATOM 1735 CG TYR B 18 -18.180 1.364 -5.736 1.00 0.00 C ATOM 1736 CD1 TYR B 18 -17.554 0.139 -5.537 1.00 0.00 C ATOM 1737 CD2 TYR B 18 -19.526 1.474 -5.407 1.00 0.00 C ATOM 1738 CE1 TYR B 18 -18.247 -0.941 -5.025 1.00 0.00 C ATOM 1739 CE2 TYR B 18 -20.227 0.394 -4.898 1.00 0.00 C ATOM 1740 CZ TYR B 18 -19.582 -0.810 -4.706 1.00 0.00 C ATOM 1741 OH TYR B 18 -20.269 -1.887 -4.189 1.00 0.00 O ATOM 0 H TYR B 18 -15.639 3.899 -7.344 1.00 0.00 H new ATOM 0 HA TYR B 18 -16.915 1.429 -8.035 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -16.471 2.634 -5.728 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -17.978 3.456 -6.077 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -16.509 0.030 -5.787 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -20.033 2.417 -5.551 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -17.744 -1.885 -4.875 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -21.274 0.494 -4.652 1.00 0.00 H new ATOM 0 HH TYR B 18 -21.199 -1.630 -4.017 1.00 0.00 H new