USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 611 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 74 ASN : amide:sc= -1.66! X(o=-1.5!,f=-1.4) USER MOD Set 1.2: A 93 SER OG : rot -75:sc= 0.127 USER MOD Set 2.1: A 32 GLN : amide:sc= -0.363 K(o=-0.36,f=-3.2!) USER MOD Set 2.2: A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00307 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.077 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0.4 USER MOD Single : A 34 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.48) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -105:sc= 0.607 USER MOD Single : A 61 CYS SG : rot 160:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0.115 X(o=0.12,f=0) USER MOD Single : A 71 MET CE :methyl 143:sc= -0.386 (180deg=-1.98!) USER MOD Single : A 78 THR OG1 : rot 130:sc= -0.101 USER MOD Single : A 81 SER OG : rot 180:sc= 0.111 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.596 K(o=-0.6,f=-2.7) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.528 F(o=-4.1!,f=-0.53) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot -24:sc= 0.697 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N HIS A 13 13.938 -11.177 -2.681 1.00 0.00 N ATOM 133 CA HIS A 13 13.656 -10.517 -1.418 1.00 0.00 C ATOM 134 C HIS A 13 12.666 -9.373 -1.647 1.00 0.00 C ATOM 135 O HIS A 13 12.443 -8.958 -2.783 1.00 0.00 O ATOM 136 CB HIS A 13 14.950 -10.057 -0.744 1.00 0.00 C ATOM 137 CG HIS A 13 15.703 -9.001 -1.518 1.00 0.00 C ATOM 138 ND1 HIS A 13 16.540 -9.303 -2.578 1.00 0.00 N ATOM 139 CD2 HIS A 13 15.735 -7.645 -1.375 1.00 0.00 C ATOM 140 CE1 HIS A 13 17.049 -8.171 -3.044 1.00 0.00 C ATOM 141 NE2 HIS A 13 16.549 -7.145 -2.297 1.00 0.00 N ATOM 0 HA HIS A 13 13.189 -11.223 -0.731 1.00 0.00 H new ATOM 0 HB2 HIS A 13 14.713 -9.668 0.246 1.00 0.00 H new ATOM 0 HB3 HIS A 13 15.600 -10.920 -0.600 1.00 0.00 H new ATOM 0 HD2 HIS A 13 15.191 -7.075 -0.637 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.738 -8.078 -3.870 1.00 0.00 H new ATOM 0 HE2 HIS A 13 16.765 -6.156 -2.426 1.00 0.00 H new ATOM 149 N THR A 14 12.100 -8.895 -0.548 1.00 0.00 N ATOM 150 CA THR A 14 11.140 -7.806 -0.615 1.00 0.00 C ATOM 151 C THR A 14 11.556 -6.670 0.322 1.00 0.00 C ATOM 152 O THR A 14 12.069 -6.916 1.413 1.00 0.00 O ATOM 153 CB THR A 14 9.756 -8.377 -0.300 1.00 0.00 C ATOM 154 OG1 THR A 14 10.013 -9.407 0.650 1.00 0.00 O ATOM 155 CG2 THR A 14 9.141 -9.114 -1.492 1.00 0.00 C ATOM 0 H THR A 14 12.288 -9.242 0.393 1.00 0.00 H new ATOM 0 HA THR A 14 11.108 -7.367 -1.612 1.00 0.00 H new ATOM 0 HB THR A 14 9.092 -7.569 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.168 -9.830 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 14 8.160 -9.499 -1.215 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.037 -8.426 -2.331 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.788 -9.943 -1.781 1.00 0.00 H new ATOM 163 N GLU A 15 11.320 -5.450 -0.138 1.00 0.00 N ATOM 164 CA GLU A 15 11.665 -4.276 0.645 1.00 0.00 C ATOM 165 C GLU A 15 10.442 -3.371 0.811 1.00 0.00 C ATOM 166 O GLU A 15 9.542 -3.377 -0.029 1.00 0.00 O ATOM 167 CB GLU A 15 12.828 -3.513 0.007 1.00 0.00 C ATOM 168 CG GLU A 15 14.170 -4.138 0.393 1.00 0.00 C ATOM 169 CD GLU A 15 15.109 -3.092 0.996 1.00 0.00 C ATOM 170 OE1 GLU A 15 15.843 -2.463 0.204 1.00 0.00 O ATOM 171 OE2 GLU A 15 15.071 -2.944 2.237 1.00 0.00 O ATOM 0 H GLU A 15 10.894 -5.249 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 15 11.987 -4.605 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.719 -3.517 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.803 -2.471 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.008 -4.943 1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.634 -4.584 -0.487 1.00 0.00 H new ATOM 178 N THR A 16 10.447 -2.615 1.899 1.00 0.00 N ATOM 179 CA THR A 16 9.350 -1.708 2.185 1.00 0.00 C ATOM 180 C THR A 16 9.755 -0.266 1.875 1.00 0.00 C ATOM 181 O THR A 16 10.942 0.053 1.829 1.00 0.00 O ATOM 182 CB THR A 16 8.928 -1.920 3.641 1.00 0.00 C ATOM 183 OG1 THR A 16 10.109 -2.400 4.278 1.00 0.00 O ATOM 184 CG2 THR A 16 7.927 -3.067 3.799 1.00 0.00 C ATOM 0 H THR A 16 11.194 -2.612 2.593 1.00 0.00 H new ATOM 0 HA THR A 16 8.490 -1.915 1.548 1.00 0.00 H new ATOM 0 HB THR A 16 8.491 -1.000 4.030 1.00 0.00 H new ATOM 0 HG1 THR A 16 9.926 -2.562 5.227 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.661 -3.175 4.850 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.031 -2.850 3.218 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.376 -3.994 3.441 1.00 0.00 H new ATOM 192 N THR A 17 8.746 0.568 1.670 1.00 0.00 N ATOM 193 CA THR A 17 8.983 1.969 1.364 1.00 0.00 C ATOM 194 C THR A 17 8.015 2.856 2.149 1.00 0.00 C ATOM 195 O THR A 17 7.030 2.370 2.702 1.00 0.00 O ATOM 196 CB THR A 17 8.877 2.147 -0.151 1.00 0.00 C ATOM 197 OG1 THR A 17 8.940 3.558 -0.341 1.00 0.00 O ATOM 198 CG2 THR A 17 7.499 1.760 -0.692 1.00 0.00 C ATOM 0 H THR A 17 7.762 0.301 1.710 1.00 0.00 H new ATOM 0 HA THR A 17 9.982 2.278 1.672 1.00 0.00 H new ATOM 0 HB THR A 17 9.642 1.544 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.880 3.762 -1.298 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.478 1.905 -1.772 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.299 0.713 -0.463 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.737 2.385 -0.227 1.00 0.00 H new ATOM 206 N GLU A 18 8.329 4.143 2.174 1.00 0.00 N ATOM 207 CA GLU A 18 7.500 5.103 2.882 1.00 0.00 C ATOM 208 C GLU A 18 6.876 6.094 1.897 1.00 0.00 C ATOM 209 O GLU A 18 7.586 6.855 1.242 1.00 0.00 O ATOM 210 CB GLU A 18 8.304 5.834 3.958 1.00 0.00 C ATOM 211 CG GLU A 18 8.176 5.131 5.311 1.00 0.00 C ATOM 212 CD GLU A 18 9.470 5.254 6.118 1.00 0.00 C ATOM 213 OE1 GLU A 18 9.751 6.385 6.571 1.00 0.00 O ATOM 214 OE2 GLU A 18 10.149 4.215 6.264 1.00 0.00 O ATOM 0 H GLU A 18 9.147 4.543 1.715 1.00 0.00 H new ATOM 0 HA GLU A 18 6.697 4.561 3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.353 5.879 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.953 6.862 4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.350 5.565 5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.938 4.079 5.157 1.00 0.00 H new ATOM 221 N VAL A 19 5.553 6.052 1.822 1.00 0.00 N ATOM 222 CA VAL A 19 4.826 6.936 0.928 1.00 0.00 C ATOM 223 C VAL A 19 4.277 8.121 1.725 1.00 0.00 C ATOM 224 O VAL A 19 3.360 7.961 2.530 1.00 0.00 O ATOM 225 CB VAL A 19 3.735 6.155 0.192 1.00 0.00 C ATOM 226 CG1 VAL A 19 3.186 6.959 -0.988 1.00 0.00 C ATOM 227 CG2 VAL A 19 4.254 4.791 -0.268 1.00 0.00 C ATOM 0 H VAL A 19 4.967 5.419 2.366 1.00 0.00 H new ATOM 0 HA VAL A 19 5.492 7.338 0.164 1.00 0.00 H new ATOM 0 HB VAL A 19 2.916 5.984 0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.412 6.381 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.761 7.894 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.993 7.175 -1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.460 4.256 -0.788 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.099 4.932 -0.942 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.574 4.212 0.599 1.00 0.00 H new ATOM 237 N VAL A 20 4.860 9.284 1.474 1.00 0.00 N ATOM 238 CA VAL A 20 4.441 10.495 2.158 1.00 0.00 C ATOM 239 C VAL A 20 3.504 11.292 1.247 1.00 0.00 C ATOM 240 O VAL A 20 3.900 11.717 0.163 1.00 0.00 O ATOM 241 CB VAL A 20 5.667 11.296 2.602 1.00 0.00 C ATOM 242 CG1 VAL A 20 6.266 12.075 1.429 1.00 0.00 C ATOM 243 CG2 VAL A 20 5.320 12.231 3.762 1.00 0.00 C ATOM 0 H VAL A 20 5.620 9.413 0.806 1.00 0.00 H new ATOM 0 HA VAL A 20 3.884 10.250 3.063 1.00 0.00 H new ATOM 0 HB VAL A 20 6.419 10.591 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.136 12.636 1.771 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.568 11.379 0.646 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.522 12.766 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.209 12.788 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.543 12.928 3.448 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.961 11.644 4.608 1.00 0.00 H new ATOM 253 N LEU A 21 2.280 11.469 1.722 1.00 0.00 N ATOM 254 CA LEU A 21 1.283 12.207 0.964 1.00 0.00 C ATOM 255 C LEU A 21 0.848 13.437 1.764 1.00 0.00 C ATOM 256 O LEU A 21 0.546 13.334 2.952 1.00 0.00 O ATOM 257 CB LEU A 21 0.125 11.290 0.568 1.00 0.00 C ATOM 258 CG LEU A 21 0.507 10.008 -0.176 1.00 0.00 C ATOM 259 CD1 LEU A 21 -0.652 9.010 -0.180 1.00 0.00 C ATOM 260 CD2 LEU A 21 1.000 10.321 -1.590 1.00 0.00 C ATOM 0 H LEU A 21 1.956 11.114 2.622 1.00 0.00 H new ATOM 0 HA LEU A 21 1.707 12.569 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.419 11.014 1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.564 11.858 -0.057 1.00 0.00 H new ATOM 0 HG LEU A 21 1.334 9.538 0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.354 8.108 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.914 8.753 0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.515 9.456 -0.674 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.265 9.393 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.211 10.826 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.876 10.967 -1.535 1.00 0.00 H new ATOM 272 N THR A 22 0.830 14.571 1.080 1.00 0.00 N ATOM 273 CA THR A 22 0.438 15.819 1.712 1.00 0.00 C ATOM 274 C THR A 22 -1.046 16.098 1.465 1.00 0.00 C ATOM 275 O THR A 22 -1.435 16.477 0.361 1.00 0.00 O ATOM 276 CB THR A 22 1.359 16.924 1.190 1.00 0.00 C ATOM 277 OG1 THR A 22 2.651 16.324 1.181 1.00 0.00 O ATOM 278 CG2 THR A 22 1.494 18.087 2.174 1.00 0.00 C ATOM 0 H THR A 22 1.080 14.652 0.095 1.00 0.00 H new ATOM 0 HA THR A 22 0.551 15.767 2.795 1.00 0.00 H new ATOM 0 HB THR A 22 0.977 17.296 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.310 16.971 0.854 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.158 18.843 1.755 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.513 18.526 2.355 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.908 17.722 3.114 1.00 0.00 H new ATOM 286 N ALA A 23 -1.835 15.900 2.511 1.00 0.00 N ATOM 287 CA ALA A 23 -3.268 16.125 2.421 1.00 0.00 C ATOM 288 C ALA A 23 -3.530 17.399 1.615 1.00 0.00 C ATOM 289 O ALA A 23 -3.445 18.504 2.149 1.00 0.00 O ATOM 290 CB ALA A 23 -3.863 16.193 3.829 1.00 0.00 C ATOM 0 H ALA A 23 -1.509 15.586 3.425 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.755 15.300 1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.938 16.362 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.675 15.254 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.401 17.012 4.380 1.00 0.00 H new ATOM 296 N ASP A 24 -3.843 17.202 0.343 1.00 0.00 N ATOM 297 CA ASP A 24 -4.118 18.321 -0.542 1.00 0.00 C ATOM 298 C ASP A 24 -5.161 19.233 0.106 1.00 0.00 C ATOM 299 O ASP A 24 -5.759 18.876 1.120 1.00 0.00 O ATOM 300 CB ASP A 24 -4.678 17.839 -1.882 1.00 0.00 C ATOM 301 CG ASP A 24 -3.866 18.256 -3.109 1.00 0.00 C ATOM 302 OD1 ASP A 24 -2.723 18.718 -2.904 1.00 0.00 O ATOM 303 OD2 ASP A 24 -4.406 18.103 -4.226 1.00 0.00 O ATOM 0 H ASP A 24 -3.912 16.284 -0.096 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.183 18.854 -0.713 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.744 16.751 -1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.694 18.218 -1.991 1.00 0.00 H new ATOM 308 N PRO A 25 -5.354 20.424 -0.523 1.00 0.00 N ATOM 309 CA PRO A 25 -6.315 21.389 -0.019 1.00 0.00 C ATOM 310 C PRO A 25 -7.747 20.953 -0.332 1.00 0.00 C ATOM 311 O PRO A 25 -8.702 21.498 0.220 1.00 0.00 O ATOM 312 CB PRO A 25 -5.936 22.704 -0.681 1.00 0.00 C ATOM 313 CG PRO A 25 -5.077 22.334 -1.880 1.00 0.00 C ATOM 314 CD PRO A 25 -4.664 20.880 -1.726 1.00 0.00 C ATOM 0 HA PRO A 25 -6.287 21.482 1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.824 23.255 -0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.388 23.345 0.009 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.633 22.477 -2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.198 22.977 -1.933 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.955 20.292 -2.596 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.583 20.784 -1.623 1.00 0.00 H new ATOM 322 N VAL A 26 -7.853 19.973 -1.218 1.00 0.00 N ATOM 323 CA VAL A 26 -9.153 19.457 -1.612 1.00 0.00 C ATOM 324 C VAL A 26 -9.140 17.930 -1.517 1.00 0.00 C ATOM 325 O VAL A 26 -9.912 17.345 -0.758 1.00 0.00 O ATOM 326 CB VAL A 26 -9.517 19.966 -3.008 1.00 0.00 C ATOM 327 CG1 VAL A 26 -10.629 19.117 -3.628 1.00 0.00 C ATOM 328 CG2 VAL A 26 -9.913 21.443 -2.966 1.00 0.00 C ATOM 0 H VAL A 26 -7.060 19.523 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.928 19.819 -0.937 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.634 19.874 -3.640 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.869 19.500 -4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.295 18.083 -3.709 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -11.517 19.163 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.167 21.780 -3.971 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.775 21.570 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.079 22.033 -2.585 1.00 0.00 H new ATOM 338 N THR A 27 -8.256 17.327 -2.298 1.00 0.00 N ATOM 339 CA THR A 27 -8.133 15.880 -2.312 1.00 0.00 C ATOM 340 C THR A 27 -6.993 15.433 -1.395 1.00 0.00 C ATOM 341 O THR A 27 -5.966 14.947 -1.866 1.00 0.00 O ATOM 342 CB THR A 27 -7.955 15.434 -3.764 1.00 0.00 C ATOM 343 OG1 THR A 27 -6.917 16.274 -4.261 1.00 0.00 O ATOM 344 CG2 THR A 27 -9.164 15.781 -4.636 1.00 0.00 C ATOM 0 H THR A 27 -7.618 17.815 -2.926 1.00 0.00 H new ATOM 0 HA THR A 27 -9.031 15.403 -1.919 1.00 0.00 H new ATOM 0 HB THR A 27 -7.782 14.358 -3.794 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.631 15.954 -5.142 1.00 0.00 H new ATOM 0 HG21 THR A 27 -8.986 15.443 -5.657 1.00 0.00 H new ATOM 0 HG22 THR A 27 -10.052 15.288 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.317 16.860 -4.633 1.00 0.00 H new ATOM 352 N GLY A 28 -7.212 15.613 -0.100 1.00 0.00 N ATOM 353 CA GLY A 28 -6.216 15.234 0.887 1.00 0.00 C ATOM 354 C GLY A 28 -5.290 14.144 0.342 1.00 0.00 C ATOM 355 O GLY A 28 -4.227 14.442 -0.200 1.00 0.00 O ATOM 0 H GLY A 28 -8.065 16.016 0.288 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.628 16.107 1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.711 14.877 1.790 1.00 0.00 H new ATOM 359 N PHE A 29 -5.728 12.905 0.504 1.00 0.00 N ATOM 360 CA PHE A 29 -4.952 11.769 0.035 1.00 0.00 C ATOM 361 C PHE A 29 -5.695 11.016 -1.070 1.00 0.00 C ATOM 362 O PHE A 29 -5.073 10.387 -1.924 1.00 0.00 O ATOM 363 CB PHE A 29 -4.758 10.835 1.231 1.00 0.00 C ATOM 364 CG PHE A 29 -4.296 11.545 2.506 1.00 0.00 C ATOM 365 CD1 PHE A 29 -3.197 12.345 2.478 1.00 0.00 C ATOM 366 CD2 PHE A 29 -4.984 11.374 3.666 1.00 0.00 C ATOM 367 CE1 PHE A 29 -2.768 13.004 3.661 1.00 0.00 C ATOM 368 CE2 PHE A 29 -4.556 12.033 4.849 1.00 0.00 C ATOM 369 CZ PHE A 29 -3.457 12.833 4.822 1.00 0.00 C ATOM 0 H PHE A 29 -6.611 12.662 0.954 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.001 12.111 -0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.697 10.321 1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.027 10.071 0.967 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.650 12.479 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.856 10.737 3.688 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.896 13.640 3.639 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.104 11.899 5.770 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.131 13.333 5.722 1.00 0.00 H new ATOM 379 N GLY A 30 -7.016 11.104 -1.017 1.00 0.00 N ATOM 380 CA GLY A 30 -7.851 10.438 -2.002 1.00 0.00 C ATOM 381 C GLY A 30 -7.464 8.965 -2.143 1.00 0.00 C ATOM 382 O GLY A 30 -6.943 8.552 -3.178 1.00 0.00 O ATOM 0 H GLY A 30 -7.529 11.627 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.898 10.516 -1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.752 10.938 -2.966 1.00 0.00 H new ATOM 386 N ILE A 31 -7.735 8.212 -1.087 1.00 0.00 N ATOM 387 CA ILE A 31 -7.422 6.793 -1.080 1.00 0.00 C ATOM 388 C ILE A 31 -8.612 6.015 -0.516 1.00 0.00 C ATOM 389 O ILE A 31 -9.286 6.483 0.401 1.00 0.00 O ATOM 390 CB ILE A 31 -6.111 6.537 -0.333 1.00 0.00 C ATOM 391 CG1 ILE A 31 -5.049 7.568 -0.722 1.00 0.00 C ATOM 392 CG2 ILE A 31 -5.626 5.103 -0.553 1.00 0.00 C ATOM 393 CD1 ILE A 31 -3.832 7.476 0.202 1.00 0.00 C ATOM 0 H ILE A 31 -8.168 8.558 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.259 6.434 -2.096 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.297 6.653 0.735 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.740 7.405 -1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.474 8.570 -0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.693 4.947 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.379 4.404 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.460 4.934 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.092 8.219 -0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.141 7.663 1.230 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.395 6.480 0.130 1.00 0.00 H new ATOM 405 N GLN A 32 -8.836 4.841 -1.087 1.00 0.00 N ATOM 406 CA GLN A 32 -9.933 3.993 -0.653 1.00 0.00 C ATOM 407 C GLN A 32 -9.416 2.600 -0.289 1.00 0.00 C ATOM 408 O GLN A 32 -8.595 2.031 -1.006 1.00 0.00 O ATOM 409 CB GLN A 32 -11.020 3.912 -1.727 1.00 0.00 C ATOM 410 CG GLN A 32 -12.115 4.952 -1.479 1.00 0.00 C ATOM 411 CD GLN A 32 -13.479 4.282 -1.305 1.00 0.00 C ATOM 412 OE1 GLN A 32 -13.625 3.076 -1.413 1.00 0.00 O ATOM 413 NE2 GLN A 32 -14.467 5.129 -1.030 1.00 0.00 N ATOM 0 H GLN A 32 -8.276 4.456 -1.848 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.380 4.436 0.237 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -10.577 4.072 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -11.457 2.913 -1.733 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.875 5.533 -0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -12.153 5.651 -2.314 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -14.276 6.128 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -15.416 4.780 -0.896 1.00 0.00 H new ATOM 422 N LEU A 33 -9.919 2.091 0.827 1.00 0.00 N ATOM 423 CA LEU A 33 -9.518 0.775 1.295 1.00 0.00 C ATOM 424 C LEU A 33 -10.561 -0.256 0.859 1.00 0.00 C ATOM 425 O LEU A 33 -11.698 0.097 0.551 1.00 0.00 O ATOM 426 CB LEU A 33 -9.269 0.796 2.804 1.00 0.00 C ATOM 427 CG LEU A 33 -8.189 1.765 3.292 1.00 0.00 C ATOM 428 CD1 LEU A 33 -6.814 1.373 2.747 1.00 0.00 C ATOM 429 CD2 LEU A 33 -8.552 3.210 2.945 1.00 0.00 C ATOM 0 H LEU A 33 -10.600 2.566 1.420 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.570 0.482 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.205 1.045 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.996 -0.211 3.121 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.136 1.698 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.065 2.077 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.561 0.368 3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.835 1.393 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.768 3.878 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.650 3.311 1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.497 3.472 3.421 1.00 0.00 H new ATOM 441 N GLN A 34 -10.136 -1.511 0.846 1.00 0.00 N ATOM 442 CA GLN A 34 -11.018 -2.596 0.452 1.00 0.00 C ATOM 443 C GLN A 34 -11.142 -3.617 1.585 1.00 0.00 C ATOM 444 O GLN A 34 -10.191 -3.838 2.333 1.00 0.00 O ATOM 445 CB GLN A 34 -10.529 -3.262 -0.835 1.00 0.00 C ATOM 446 CG GLN A 34 -9.227 -4.030 -0.595 1.00 0.00 C ATOM 447 CD GLN A 34 -9.501 -5.520 -0.379 1.00 0.00 C ATOM 448 OE1 GLN A 34 -10.084 -6.196 -1.211 1.00 0.00 O ATOM 449 NE2 GLN A 34 -9.050 -5.991 0.780 1.00 0.00 N ATOM 0 H GLN A 34 -9.192 -1.800 1.102 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.006 -2.180 0.253 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -11.293 -3.943 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -10.372 -2.505 -1.604 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.561 -3.899 -1.448 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.714 -3.621 0.276 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.570 -5.369 1.431 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.184 -6.974 1.018 1.00 0.00 H new ATOM 620 N PRO A 47 -5.101 -3.928 4.135 1.00 0.00 N ATOM 621 CA PRO A 47 -6.092 -3.213 3.348 1.00 0.00 C ATOM 622 C PRO A 47 -5.514 -2.785 1.998 1.00 0.00 C ATOM 623 O PRO A 47 -4.749 -1.825 1.922 1.00 0.00 O ATOM 624 CB PRO A 47 -6.508 -2.036 4.216 1.00 0.00 C ATOM 625 CG PRO A 47 -5.408 -1.872 5.251 1.00 0.00 C ATOM 626 CD PRO A 47 -4.550 -3.126 5.224 1.00 0.00 C ATOM 0 HA PRO A 47 -6.955 -3.830 3.096 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.620 -1.131 3.619 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.469 -2.224 4.694 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -4.804 -0.992 5.030 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.836 -1.724 6.242 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -3.502 -2.885 5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.599 -3.660 6.173 1.00 0.00 H new ATOM 634 N LEU A 48 -5.904 -3.518 0.965 1.00 0.00 N ATOM 635 CA LEU A 48 -5.434 -3.226 -0.379 1.00 0.00 C ATOM 636 C LEU A 48 -6.200 -2.022 -0.932 1.00 0.00 C ATOM 637 O LEU A 48 -7.429 -1.989 -0.885 1.00 0.00 O ATOM 638 CB LEU A 48 -5.528 -4.473 -1.262 1.00 0.00 C ATOM 639 CG LEU A 48 -4.971 -5.764 -0.659 1.00 0.00 C ATOM 640 CD1 LEU A 48 -5.510 -6.991 -1.399 1.00 0.00 C ATOM 641 CD2 LEU A 48 -3.442 -5.740 -0.627 1.00 0.00 C ATOM 0 H LEU A 48 -6.540 -4.313 1.032 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.379 -2.953 -0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.575 -4.636 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.001 -4.274 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.313 -5.834 0.374 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.099 -7.896 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.597 -7.012 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.218 -6.941 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.073 -6.669 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.058 -5.635 -1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.104 -4.898 -0.023 1.00 0.00 H new ATOM 653 N ILE A 49 -5.442 -1.064 -1.443 1.00 0.00 N ATOM 654 CA ILE A 49 -6.034 0.139 -2.005 1.00 0.00 C ATOM 655 C ILE A 49 -7.142 -0.253 -2.984 1.00 0.00 C ATOM 656 O ILE A 49 -6.881 -0.903 -3.995 1.00 0.00 O ATOM 657 CB ILE A 49 -4.954 1.030 -2.622 1.00 0.00 C ATOM 658 CG1 ILE A 49 -4.303 1.918 -1.560 1.00 0.00 C ATOM 659 CG2 ILE A 49 -5.516 1.847 -3.787 1.00 0.00 C ATOM 660 CD1 ILE A 49 -3.190 2.775 -2.169 1.00 0.00 C ATOM 0 H ILE A 49 -4.423 -1.096 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.498 0.738 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.172 0.388 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.057 2.562 -1.108 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.894 1.297 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.728 2.471 -4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.893 1.173 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.328 2.480 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.744 3.397 -1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.426 2.127 -2.599 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.607 3.412 -2.949 1.00 0.00 H new ATOM 672 N SER A 50 -8.356 0.160 -2.650 1.00 0.00 N ATOM 673 CA SER A 50 -9.505 -0.139 -3.488 1.00 0.00 C ATOM 674 C SER A 50 -9.524 0.792 -4.702 1.00 0.00 C ATOM 675 O SER A 50 -9.732 0.345 -5.828 1.00 0.00 O ATOM 676 CB SER A 50 -10.810 -0.011 -2.699 1.00 0.00 C ATOM 677 OG SER A 50 -11.724 0.888 -3.322 1.00 0.00 O ATOM 0 H SER A 50 -8.569 0.699 -1.811 1.00 0.00 H new ATOM 0 HA SER A 50 -9.419 -1.170 -3.831 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.274 -0.993 -2.604 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.591 0.336 -1.689 1.00 0.00 H new ATOM 0 HG SER A 50 -12.545 0.941 -2.789 1.00 0.00 H new ATOM 683 N TYR A 51 -9.306 2.070 -4.430 1.00 0.00 N ATOM 684 CA TYR A 51 -9.296 3.068 -5.486 1.00 0.00 C ATOM 685 C TYR A 51 -8.381 4.240 -5.124 1.00 0.00 C ATOM 686 O TYR A 51 -8.110 4.481 -3.949 1.00 0.00 O ATOM 687 CB TYR A 51 -10.734 3.576 -5.601 1.00 0.00 C ATOM 688 CG TYR A 51 -10.943 4.612 -6.707 1.00 0.00 C ATOM 689 CD1 TYR A 51 -10.937 4.219 -8.030 1.00 0.00 C ATOM 690 CD2 TYR A 51 -11.136 5.939 -6.382 1.00 0.00 C ATOM 691 CE1 TYR A 51 -11.133 5.195 -9.071 1.00 0.00 C ATOM 692 CE2 TYR A 51 -11.332 6.915 -7.423 1.00 0.00 C ATOM 693 CZ TYR A 51 -11.321 6.494 -8.716 1.00 0.00 C ATOM 694 OH TYR A 51 -11.506 7.415 -9.700 1.00 0.00 O ATOM 0 H TYR A 51 -9.135 2.437 -3.494 1.00 0.00 H new ATOM 0 HA TYR A 51 -8.930 2.637 -6.418 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -11.394 2.728 -5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.031 4.013 -4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -10.785 3.180 -8.285 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -11.140 6.246 -5.347 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -11.131 4.902 -10.110 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -11.484 7.957 -7.182 1.00 0.00 H new ATOM 0 HH TYR A 51 -11.629 8.301 -9.300 1.00 0.00 H new ATOM 704 N ILE A 52 -7.930 4.938 -6.156 1.00 0.00 N ATOM 705 CA ILE A 52 -7.052 6.080 -5.962 1.00 0.00 C ATOM 706 C ILE A 52 -7.661 7.308 -6.641 1.00 0.00 C ATOM 707 O ILE A 52 -7.675 7.401 -7.867 1.00 0.00 O ATOM 708 CB ILE A 52 -5.635 5.753 -6.438 1.00 0.00 C ATOM 709 CG1 ILE A 52 -5.111 4.481 -5.768 1.00 0.00 C ATOM 710 CG2 ILE A 52 -4.697 6.942 -6.225 1.00 0.00 C ATOM 711 CD1 ILE A 52 -3.856 3.966 -6.475 1.00 0.00 C ATOM 0 H ILE A 52 -8.156 4.735 -7.130 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.961 6.315 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.671 5.560 -7.510 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.886 4.684 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.884 3.712 -5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.697 6.683 -6.572 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.065 7.801 -6.787 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.660 7.191 -5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.504 3.061 -5.979 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.091 3.741 -7.515 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.077 4.728 -6.435 1.00 0.00 H new ATOM 723 N GLU A 53 -8.149 8.220 -5.813 1.00 0.00 N ATOM 724 CA GLU A 53 -8.758 9.439 -6.319 1.00 0.00 C ATOM 725 C GLU A 53 -7.828 10.120 -7.325 1.00 0.00 C ATOM 726 O GLU A 53 -6.611 9.949 -7.265 1.00 0.00 O ATOM 727 CB GLU A 53 -9.116 10.389 -5.173 1.00 0.00 C ATOM 728 CG GLU A 53 -10.490 11.024 -5.397 1.00 0.00 C ATOM 729 CD GLU A 53 -10.390 12.551 -5.426 1.00 0.00 C ATOM 730 OE1 GLU A 53 -9.743 13.059 -6.366 1.00 0.00 O ATOM 731 OE2 GLU A 53 -10.963 13.174 -4.507 1.00 0.00 O ATOM 0 H GLU A 53 -8.135 8.140 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 53 -9.683 9.174 -6.831 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -9.113 9.844 -4.229 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -8.359 11.169 -5.093 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.912 10.666 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -11.171 10.716 -4.604 1.00 0.00 H new ATOM 738 N ALA A 54 -8.436 10.877 -8.226 1.00 0.00 N ATOM 739 CA ALA A 54 -7.677 11.584 -9.244 1.00 0.00 C ATOM 740 C ALA A 54 -7.255 12.951 -8.702 1.00 0.00 C ATOM 741 O ALA A 54 -7.722 13.375 -7.646 1.00 0.00 O ATOM 742 CB ALA A 54 -8.515 11.695 -10.520 1.00 0.00 C ATOM 0 H ALA A 54 -9.445 11.016 -8.273 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.769 11.036 -9.497 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.946 12.225 -11.284 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.763 10.697 -10.880 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -9.433 12.242 -10.306 1.00 0.00 H new ATOM 748 N ASP A 55 -6.377 13.602 -9.450 1.00 0.00 N ATOM 749 CA ASP A 55 -5.886 14.913 -9.057 1.00 0.00 C ATOM 750 C ASP A 55 -5.515 14.890 -7.573 1.00 0.00 C ATOM 751 O ASP A 55 -5.539 15.925 -6.908 1.00 0.00 O ATOM 752 CB ASP A 55 -6.959 15.985 -9.260 1.00 0.00 C ATOM 753 CG ASP A 55 -6.444 17.426 -9.243 1.00 0.00 C ATOM 754 OD1 ASP A 55 -5.930 17.857 -10.297 1.00 0.00 O ATOM 755 OD2 ASP A 55 -6.575 18.063 -8.176 1.00 0.00 O ATOM 0 H ASP A 55 -5.993 13.247 -10.326 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.019 15.148 -9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.457 15.804 -10.213 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.713 15.875 -8.481 1.00 0.00 H new ATOM 760 N SER A 56 -5.180 13.700 -7.098 1.00 0.00 N ATOM 761 CA SER A 56 -4.803 13.529 -5.705 1.00 0.00 C ATOM 762 C SER A 56 -3.303 13.249 -5.599 1.00 0.00 C ATOM 763 O SER A 56 -2.663 12.893 -6.587 1.00 0.00 O ATOM 764 CB SER A 56 -5.601 12.398 -5.054 1.00 0.00 C ATOM 765 OG SER A 56 -4.943 11.140 -5.177 1.00 0.00 O ATOM 0 H SER A 56 -5.162 12.844 -7.653 1.00 0.00 H new ATOM 0 HA SER A 56 -5.032 14.452 -5.173 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.756 12.624 -3.999 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.587 12.338 -5.515 1.00 0.00 H new ATOM 0 HG SER A 56 -5.394 10.600 -5.859 1.00 0.00 H new ATOM 771 N PRO A 57 -2.772 13.426 -4.360 1.00 0.00 N ATOM 772 CA PRO A 57 -1.358 13.197 -4.111 1.00 0.00 C ATOM 773 C PRO A 57 -1.045 11.700 -4.070 1.00 0.00 C ATOM 774 O PRO A 57 0.093 11.294 -4.302 1.00 0.00 O ATOM 775 CB PRO A 57 -1.071 13.900 -2.795 1.00 0.00 C ATOM 776 CG PRO A 57 -2.421 14.099 -2.125 1.00 0.00 C ATOM 777 CD PRO A 57 -3.499 13.847 -3.166 1.00 0.00 C ATOM 0 HA PRO A 57 -0.722 13.591 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.409 13.302 -2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.574 14.855 -2.963 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.535 13.415 -1.284 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.504 15.110 -1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.196 13.077 -2.835 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.084 14.747 -3.356 1.00 0.00 H new ATOM 785 N ALA A 58 -2.074 10.920 -3.772 1.00 0.00 N ATOM 786 CA ALA A 58 -1.923 9.477 -3.697 1.00 0.00 C ATOM 787 C ALA A 58 -1.691 8.919 -5.103 1.00 0.00 C ATOM 788 O ALA A 58 -1.106 7.849 -5.262 1.00 0.00 O ATOM 789 CB ALA A 58 -3.154 8.869 -3.024 1.00 0.00 C ATOM 0 H ALA A 58 -3.016 11.261 -3.580 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.057 9.213 -3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.041 7.786 -2.968 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.257 9.276 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.043 9.111 -3.606 1.00 0.00 H new ATOM 795 N GLU A 59 -2.163 9.670 -6.088 1.00 0.00 N ATOM 796 CA GLU A 59 -2.015 9.264 -7.475 1.00 0.00 C ATOM 797 C GLU A 59 -0.775 9.915 -8.090 1.00 0.00 C ATOM 798 O GLU A 59 -0.228 9.415 -9.072 1.00 0.00 O ATOM 799 CB GLU A 59 -3.270 9.603 -8.283 1.00 0.00 C ATOM 800 CG GLU A 59 -3.226 8.947 -9.664 1.00 0.00 C ATOM 801 CD GLU A 59 -3.519 7.448 -9.569 1.00 0.00 C ATOM 802 OE1 GLU A 59 -2.544 6.690 -9.376 1.00 0.00 O ATOM 803 OE2 GLU A 59 -4.711 7.093 -9.692 1.00 0.00 O ATOM 0 H GLU A 59 -2.648 10.557 -5.953 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.885 8.182 -7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.156 9.266 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.355 10.684 -8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.955 9.423 -10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.245 9.102 -10.113 1.00 0.00 H new ATOM 810 N ARG A 60 -0.367 11.022 -7.486 1.00 0.00 N ATOM 811 CA ARG A 60 0.799 11.748 -7.962 1.00 0.00 C ATOM 812 C ARG A 60 2.062 10.906 -7.771 1.00 0.00 C ATOM 813 O ARG A 60 2.907 10.836 -8.662 1.00 0.00 O ATOM 814 CB ARG A 60 0.962 13.076 -7.219 1.00 0.00 C ATOM 815 CG ARG A 60 0.248 14.209 -7.959 1.00 0.00 C ATOM 816 CD ARG A 60 1.181 15.404 -8.163 1.00 0.00 C ATOM 817 NE ARG A 60 0.431 16.537 -8.751 1.00 0.00 N ATOM 818 CZ ARG A 60 1.002 17.665 -9.194 1.00 0.00 C ATOM 819 NH1 ARG A 60 2.331 17.819 -9.119 1.00 0.00 N ATOM 820 NH2 ARG A 60 0.243 18.640 -9.712 1.00 0.00 N ATOM 0 H ARG A 60 -0.823 11.434 -6.672 1.00 0.00 H new ATOM 0 HA ARG A 60 0.652 11.954 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.559 12.985 -6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.021 13.313 -7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.106 13.850 -8.925 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.630 14.521 -7.393 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.618 15.702 -7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.006 15.124 -8.818 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.583 16.454 -8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.909 17.077 -8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.765 18.678 -9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.769 18.523 -9.769 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.677 19.499 -10.050 1.00 0.00 H new ATOM 834 N CYS A 61 2.152 10.288 -6.602 1.00 0.00 N ATOM 835 CA CYS A 61 3.298 9.454 -6.283 1.00 0.00 C ATOM 836 C CYS A 61 3.394 8.346 -7.334 1.00 0.00 C ATOM 837 O CYS A 61 4.482 8.038 -7.819 1.00 0.00 O ATOM 838 CB CYS A 61 3.208 8.887 -4.864 1.00 0.00 C ATOM 839 SG CYS A 61 4.789 9.155 -3.982 1.00 0.00 S ATOM 0 H CYS A 61 1.450 10.348 -5.865 1.00 0.00 H new ATOM 0 HA CYS A 61 4.206 10.056 -6.307 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.394 9.368 -4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.980 7.822 -4.903 1.00 0.00 H new ATOM 0 HG CYS A 61 4.590 9.075 -2.700 1.00 0.00 H new ATOM 845 N GLY A 62 2.241 7.779 -7.657 1.00 0.00 N ATOM 846 CA GLY A 62 2.182 6.713 -8.642 1.00 0.00 C ATOM 847 C GLY A 62 2.489 5.357 -8.002 1.00 0.00 C ATOM 848 O GLY A 62 1.756 4.390 -8.206 1.00 0.00 O ATOM 0 H GLY A 62 1.340 8.038 -7.254 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.192 6.688 -9.097 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.896 6.912 -9.441 1.00 0.00 H new ATOM 852 N VAL A 63 3.573 5.330 -7.242 1.00 0.00 N ATOM 853 CA VAL A 63 3.986 4.109 -6.571 1.00 0.00 C ATOM 854 C VAL A 63 2.757 3.415 -5.981 1.00 0.00 C ATOM 855 O VAL A 63 2.728 2.191 -5.862 1.00 0.00 O ATOM 856 CB VAL A 63 5.055 4.424 -5.522 1.00 0.00 C ATOM 857 CG1 VAL A 63 6.186 5.258 -6.126 1.00 0.00 C ATOM 858 CG2 VAL A 63 4.443 5.127 -4.309 1.00 0.00 C ATOM 0 H VAL A 63 4.178 6.134 -7.076 1.00 0.00 H new ATOM 0 HA VAL A 63 4.440 3.418 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 63 5.480 3.479 -5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 63 6.932 5.468 -5.360 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.650 4.705 -6.943 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.783 6.196 -6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.224 5.339 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.979 6.061 -4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.689 4.482 -3.857 1.00 0.00 H new ATOM 868 N LEU A 64 1.771 4.227 -5.628 1.00 0.00 N ATOM 869 CA LEU A 64 0.542 3.707 -5.053 1.00 0.00 C ATOM 870 C LEU A 64 -0.322 3.109 -6.165 1.00 0.00 C ATOM 871 O LEU A 64 -1.021 3.834 -6.871 1.00 0.00 O ATOM 872 CB LEU A 64 -0.168 4.789 -4.237 1.00 0.00 C ATOM 873 CG LEU A 64 0.668 5.463 -3.147 1.00 0.00 C ATOM 874 CD1 LEU A 64 0.020 6.772 -2.690 1.00 0.00 C ATOM 875 CD2 LEU A 64 0.918 4.509 -1.978 1.00 0.00 C ATOM 0 H LEU A 64 1.798 5.242 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 64 0.760 2.903 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.524 5.558 -4.922 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.048 4.346 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 64 1.641 5.715 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.634 7.231 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.063 7.452 -3.538 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.973 6.566 -2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.514 5.014 -1.218 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.036 4.203 -1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.454 3.629 -2.335 1.00 0.00 H new ATOM 887 N GLN A 65 -0.246 1.792 -6.287 1.00 0.00 N ATOM 888 CA GLN A 65 -1.013 1.088 -7.301 1.00 0.00 C ATOM 889 C GLN A 65 -2.314 0.550 -6.704 1.00 0.00 C ATOM 890 O GLN A 65 -2.368 0.218 -5.521 1.00 0.00 O ATOM 891 CB GLN A 65 -0.189 -0.039 -7.927 1.00 0.00 C ATOM 892 CG GLN A 65 0.960 0.522 -8.767 1.00 0.00 C ATOM 893 CD GLN A 65 2.236 -0.299 -8.569 1.00 0.00 C ATOM 894 OE1 GLN A 65 2.759 -0.911 -9.485 1.00 0.00 O ATOM 895 NE2 GLN A 65 2.705 -0.278 -7.325 1.00 0.00 N ATOM 0 H GLN A 65 0.335 1.193 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.265 1.793 -8.093 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.210 -0.682 -7.142 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.831 -0.660 -8.552 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.681 0.518 -9.821 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.145 1.560 -8.490 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.218 0.255 -6.605 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.552 -0.795 -7.091 1.00 0.00 H new ATOM 904 N ILE A 66 -3.332 0.481 -7.550 1.00 0.00 N ATOM 905 CA ILE A 66 -4.630 -0.011 -7.120 1.00 0.00 C ATOM 906 C ILE A 66 -4.480 -1.439 -6.591 1.00 0.00 C ATOM 907 O ILE A 66 -4.109 -2.345 -7.336 1.00 0.00 O ATOM 908 CB ILE A 66 -5.653 0.122 -8.250 1.00 0.00 C ATOM 909 CG1 ILE A 66 -5.902 1.591 -8.595 1.00 0.00 C ATOM 910 CG2 ILE A 66 -6.950 -0.613 -7.904 1.00 0.00 C ATOM 911 CD1 ILE A 66 -7.056 2.162 -7.767 1.00 0.00 C ATOM 0 H ILE A 66 -3.284 0.758 -8.531 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.015 0.594 -6.299 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.241 -0.352 -9.141 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.997 2.170 -8.411 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -6.130 1.685 -9.657 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.660 -0.503 -8.723 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.738 -1.671 -7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.377 -0.190 -6.995 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.212 3.208 -8.032 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -7.965 1.597 -7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.814 2.089 -6.707 1.00 0.00 H new ATOM 923 N GLY A 67 -4.776 -1.595 -5.309 1.00 0.00 N ATOM 924 CA GLY A 67 -4.678 -2.897 -4.672 1.00 0.00 C ATOM 925 C GLY A 67 -3.298 -3.098 -4.044 1.00 0.00 C ATOM 926 O GLY A 67 -2.855 -4.231 -3.860 1.00 0.00 O ATOM 0 H GLY A 67 -5.084 -0.841 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.447 -2.989 -3.905 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.865 -3.680 -5.407 1.00 0.00 H new ATOM 930 N ASP A 68 -2.656 -1.981 -3.732 1.00 0.00 N ATOM 931 CA ASP A 68 -1.335 -2.021 -3.129 1.00 0.00 C ATOM 932 C ASP A 68 -1.349 -2.987 -1.943 1.00 0.00 C ATOM 933 O ASP A 68 -2.402 -3.501 -1.569 1.00 0.00 O ATOM 934 CB ASP A 68 -0.925 -0.641 -2.610 1.00 0.00 C ATOM 935 CG ASP A 68 -1.892 -0.015 -1.604 1.00 0.00 C ATOM 936 OD1 ASP A 68 -2.988 -0.593 -1.435 1.00 0.00 O ATOM 937 OD2 ASP A 68 -1.514 1.027 -1.026 1.00 0.00 O ATOM 0 H ASP A 68 -3.027 -1.043 -3.886 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.626 -2.345 -3.891 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.057 -0.722 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.821 0.034 -3.460 1.00 0.00 H new ATOM 942 N ARG A 69 -0.168 -3.204 -1.384 1.00 0.00 N ATOM 943 CA ARG A 69 -0.031 -4.100 -0.247 1.00 0.00 C ATOM 944 C ARG A 69 0.624 -3.371 0.927 1.00 0.00 C ATOM 945 O ARG A 69 1.772 -3.648 1.271 1.00 0.00 O ATOM 946 CB ARG A 69 0.808 -5.326 -0.610 1.00 0.00 C ATOM 947 CG ARG A 69 1.924 -4.956 -1.590 1.00 0.00 C ATOM 948 CD ARG A 69 1.399 -4.905 -3.026 1.00 0.00 C ATOM 949 NE ARG A 69 2.474 -5.281 -3.971 1.00 0.00 N ATOM 950 CZ ARG A 69 3.379 -4.422 -4.459 1.00 0.00 C ATOM 951 NH1 ARG A 69 3.345 -3.134 -4.094 1.00 0.00 N ATOM 952 NH2 ARG A 69 4.319 -4.852 -5.313 1.00 0.00 N ATOM 0 H ARG A 69 0.703 -2.775 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.030 -4.430 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.240 -5.756 0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.169 -6.090 -1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.345 -3.988 -1.318 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.731 -5.685 -1.520 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.552 -5.583 -3.137 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.037 -3.903 -3.254 1.00 0.00 H new ATOM 0 HE ARG A 69 2.529 -6.255 -4.269 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.630 -2.807 -3.444 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.034 -2.480 -4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.345 -5.833 -5.591 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.008 -4.198 -5.685 1.00 0.00 H new ATOM 966 N VAL A 70 -0.133 -2.453 1.510 1.00 0.00 N ATOM 967 CA VAL A 70 0.360 -1.682 2.638 1.00 0.00 C ATOM 968 C VAL A 70 0.558 -2.611 3.837 1.00 0.00 C ATOM 969 O VAL A 70 -0.386 -3.258 4.289 1.00 0.00 O ATOM 970 CB VAL A 70 -0.590 -0.519 2.933 1.00 0.00 C ATOM 971 CG1 VAL A 70 -1.959 -1.032 3.384 1.00 0.00 C ATOM 972 CG2 VAL A 70 0.010 0.429 3.973 1.00 0.00 C ATOM 0 H VAL A 70 -1.085 -2.226 1.222 1.00 0.00 H new ATOM 0 HA VAL A 70 1.329 -1.241 2.405 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.730 0.043 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.616 -0.186 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.394 -1.648 2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.844 -1.628 4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.685 1.246 4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.193 -0.116 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.950 0.833 3.598 1.00 0.00 H new ATOM 982 N MET A 71 1.792 -2.649 4.319 1.00 0.00 N ATOM 983 CA MET A 71 2.126 -3.488 5.457 1.00 0.00 C ATOM 984 C MET A 71 1.878 -2.750 6.774 1.00 0.00 C ATOM 985 O MET A 71 1.727 -3.377 7.822 1.00 0.00 O ATOM 986 CB MET A 71 3.597 -3.901 5.373 1.00 0.00 C ATOM 987 CG MET A 71 4.025 -4.110 3.919 1.00 0.00 C ATOM 988 SD MET A 71 5.130 -5.507 3.803 1.00 0.00 S ATOM 989 CE MET A 71 4.069 -6.795 4.438 1.00 0.00 C ATOM 0 H MET A 71 2.573 -2.112 3.942 1.00 0.00 H new ATOM 0 HA MET A 71 1.489 -4.372 5.432 1.00 0.00 H new ATOM 0 HB2 MET A 71 4.221 -3.134 5.833 1.00 0.00 H new ATOM 0 HB3 MET A 71 3.753 -4.820 5.938 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.148 -4.277 3.293 1.00 0.00 H new ATOM 0 HG3 MET A 71 4.518 -3.213 3.544 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.250 -7.719 3.889 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.281 -6.953 5.495 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.027 -6.500 4.317 1.00 0.00 H new ATOM 999 N ALA A 72 1.842 -1.429 6.678 1.00 0.00 N ATOM 1000 CA ALA A 72 1.615 -0.599 7.849 1.00 0.00 C ATOM 1001 C ALA A 72 1.172 0.795 7.402 1.00 0.00 C ATOM 1002 O ALA A 72 1.631 1.298 6.377 1.00 0.00 O ATOM 1003 CB ALA A 72 2.883 -0.562 8.703 1.00 0.00 C ATOM 0 H ALA A 72 1.966 -0.913 5.807 1.00 0.00 H new ATOM 0 HA ALA A 72 0.819 -1.016 8.466 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.712 0.061 9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.138 -1.573 9.019 1.00 0.00 H new ATOM 0 HB3 ALA A 72 3.704 -0.147 8.118 1.00 0.00 H new ATOM 1009 N ILE A 73 0.285 1.381 8.193 1.00 0.00 N ATOM 1010 CA ILE A 73 -0.225 2.708 7.891 1.00 0.00 C ATOM 1011 C ILE A 73 0.251 3.689 8.965 1.00 0.00 C ATOM 1012 O ILE A 73 -0.273 3.699 10.078 1.00 0.00 O ATOM 1013 CB ILE A 73 -1.745 2.672 7.721 1.00 0.00 C ATOM 1014 CG1 ILE A 73 -2.148 1.734 6.582 1.00 0.00 C ATOM 1015 CG2 ILE A 73 -2.309 4.082 7.529 1.00 0.00 C ATOM 1016 CD1 ILE A 73 -3.660 1.765 6.355 1.00 0.00 C ATOM 0 H ILE A 73 -0.093 0.961 9.042 1.00 0.00 H new ATOM 0 HA ILE A 73 0.171 3.061 6.939 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.181 2.272 8.636 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.633 2.026 5.667 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.832 0.717 6.815 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.391 4.028 7.411 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.069 4.692 8.400 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.869 4.532 6.639 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.919 1.089 5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.171 1.449 7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.969 2.778 6.098 1.00 0.00 H new ATOM 1028 N ASN A 74 1.239 4.490 8.593 1.00 0.00 N ATOM 1029 CA ASN A 74 1.791 5.472 9.511 1.00 0.00 C ATOM 1030 C ASN A 74 2.543 4.751 10.631 1.00 0.00 C ATOM 1031 O ASN A 74 2.716 5.297 11.719 1.00 0.00 O ATOM 1032 CB ASN A 74 0.684 6.313 10.150 1.00 0.00 C ATOM 1033 CG ASN A 74 0.775 7.772 9.699 1.00 0.00 C ATOM 1034 OD1 ASN A 74 1.739 8.472 9.963 1.00 0.00 O ATOM 1035 ND2 ASN A 74 -0.280 8.191 9.006 1.00 0.00 N ATOM 0 H ASN A 74 1.671 4.479 7.669 1.00 0.00 H new ATOM 0 HA ASN A 74 2.458 6.123 8.946 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.290 5.905 9.879 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.762 6.259 11.236 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.315 9.150 8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.054 7.553 8.820 1.00 0.00 H new ATOM 1042 N GLY A 75 2.970 3.534 10.326 1.00 0.00 N ATOM 1043 CA GLY A 75 3.699 2.732 11.294 1.00 0.00 C ATOM 1044 C GLY A 75 2.803 1.645 11.892 1.00 0.00 C ATOM 1045 O GLY A 75 3.289 0.591 12.299 1.00 0.00 O ATOM 0 H GLY A 75 2.825 3.084 9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.563 2.273 10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.080 3.373 12.089 1.00 0.00 H new ATOM 1049 N ILE A 76 1.512 1.939 11.924 1.00 0.00 N ATOM 1050 CA ILE A 76 0.544 1.000 12.465 1.00 0.00 C ATOM 1051 C ILE A 76 0.540 -0.270 11.612 1.00 0.00 C ATOM 1052 O ILE A 76 0.344 -0.206 10.399 1.00 0.00 O ATOM 1053 CB ILE A 76 -0.830 1.660 12.592 1.00 0.00 C ATOM 1054 CG1 ILE A 76 -0.877 2.602 13.797 1.00 0.00 C ATOM 1055 CG2 ILE A 76 -1.941 0.610 12.642 1.00 0.00 C ATOM 1056 CD1 ILE A 76 0.368 3.490 13.848 1.00 0.00 C ATOM 0 H ILE A 76 1.113 2.814 11.584 1.00 0.00 H new ATOM 0 HA ILE A 76 0.824 0.704 13.476 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.000 2.266 11.702 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.770 3.225 13.742 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.951 2.020 14.716 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.907 1.107 12.732 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.922 0.017 11.728 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.787 -0.042 13.501 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.309 4.150 14.714 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.258 2.865 13.928 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.425 4.089 12.939 1.00 0.00 H new ATOM 1068 N PRO A 77 0.764 -1.423 12.296 1.00 0.00 N ATOM 1069 CA PRO A 77 0.788 -2.706 11.614 1.00 0.00 C ATOM 1070 C PRO A 77 -0.627 -3.158 11.247 1.00 0.00 C ATOM 1071 O PRO A 77 -1.208 -4.005 11.924 1.00 0.00 O ATOM 1072 CB PRO A 77 1.482 -3.652 12.580 1.00 0.00 C ATOM 1073 CG PRO A 77 1.405 -2.986 13.944 1.00 0.00 C ATOM 1074 CD PRO A 77 1.000 -1.537 13.733 1.00 0.00 C ATOM 0 HA PRO A 77 1.320 -2.668 10.664 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.992 -4.626 12.593 1.00 0.00 H new ATOM 0 HB3 PRO A 77 2.518 -3.820 12.285 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.680 -3.497 14.578 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.368 -3.043 14.452 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.104 -1.289 14.302 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.784 -0.855 14.061 1.00 0.00 H new ATOM 1082 N THR A 78 -1.141 -2.573 10.175 1.00 0.00 N ATOM 1083 CA THR A 78 -2.477 -2.905 9.710 1.00 0.00 C ATOM 1084 C THR A 78 -2.614 -4.416 9.516 1.00 0.00 C ATOM 1085 O THR A 78 -2.192 -4.955 8.494 1.00 0.00 O ATOM 1086 CB THR A 78 -2.747 -2.102 8.436 1.00 0.00 C ATOM 1087 OG1 THR A 78 -4.134 -2.308 8.183 1.00 0.00 O ATOM 1088 CG2 THR A 78 -2.052 -2.698 7.210 1.00 0.00 C ATOM 0 H THR A 78 -0.656 -1.871 9.615 1.00 0.00 H new ATOM 0 HA THR A 78 -3.232 -2.634 10.449 1.00 0.00 H new ATOM 0 HB THR A 78 -2.414 -1.074 8.578 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.571 -1.444 8.035 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.276 -2.090 6.333 1.00 0.00 H new ATOM 0 HG22 THR A 78 -0.975 -2.714 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.409 -3.715 7.048 1.00 0.00 H new ATOM 1096 N GLU A 79 -3.206 -5.057 10.513 1.00 0.00 N ATOM 1097 CA GLU A 79 -3.403 -6.496 10.465 1.00 0.00 C ATOM 1098 C GLU A 79 -4.064 -6.984 11.756 1.00 0.00 C ATOM 1099 O GLU A 79 -3.602 -7.944 12.369 1.00 0.00 O ATOM 1100 CB GLU A 79 -2.080 -7.223 10.217 1.00 0.00 C ATOM 1101 CG GLU A 79 -0.972 -6.665 11.112 1.00 0.00 C ATOM 1102 CD GLU A 79 0.031 -7.758 11.489 1.00 0.00 C ATOM 1103 OE1 GLU A 79 -0.309 -8.553 12.392 1.00 0.00 O ATOM 1104 OE2 GLU A 79 1.114 -7.774 10.865 1.00 0.00 O ATOM 0 H GLU A 79 -3.556 -4.606 11.359 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.066 -6.725 9.631 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.205 -8.289 10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.794 -7.119 9.170 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.456 -5.855 10.596 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.409 -6.240 12.016 1.00 0.00 H new ATOM 1111 N ASP A 80 -5.136 -6.301 12.129 1.00 0.00 N ATOM 1112 CA ASP A 80 -5.866 -6.653 13.335 1.00 0.00 C ATOM 1113 C ASP A 80 -7.051 -5.701 13.506 1.00 0.00 C ATOM 1114 O ASP A 80 -8.176 -6.140 13.739 1.00 0.00 O ATOM 1115 CB ASP A 80 -4.976 -6.526 14.573 1.00 0.00 C ATOM 1116 CG ASP A 80 -5.571 -7.105 15.859 1.00 0.00 C ATOM 1117 OD1 ASP A 80 -6.322 -6.358 16.523 1.00 0.00 O ATOM 1118 OD2 ASP A 80 -5.261 -8.280 16.149 1.00 0.00 O ATOM 0 H ASP A 80 -5.517 -5.505 11.617 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.203 -7.685 13.236 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.027 -7.024 14.373 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.754 -5.471 14.736 1.00 0.00 H new ATOM 1123 N SER A 81 -6.758 -4.414 13.383 1.00 0.00 N ATOM 1124 CA SER A 81 -7.786 -3.397 13.520 1.00 0.00 C ATOM 1125 C SER A 81 -8.867 -3.597 12.456 1.00 0.00 C ATOM 1126 O SER A 81 -8.759 -4.491 11.617 1.00 0.00 O ATOM 1127 CB SER A 81 -7.188 -1.992 13.411 1.00 0.00 C ATOM 1128 OG SER A 81 -5.884 -2.010 12.838 1.00 0.00 O ATOM 0 H SER A 81 -5.824 -4.053 13.190 1.00 0.00 H new ATOM 0 HA SER A 81 -8.236 -3.497 14.508 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.842 -1.366 12.804 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.142 -1.540 14.402 1.00 0.00 H new ATOM 0 HG SER A 81 -5.538 -1.095 12.784 1.00 0.00 H new ATOM 1134 N THR A 82 -9.884 -2.751 12.524 1.00 0.00 N ATOM 1135 CA THR A 82 -10.983 -2.824 11.577 1.00 0.00 C ATOM 1136 C THR A 82 -10.674 -1.985 10.336 1.00 0.00 C ATOM 1137 O THR A 82 -9.799 -1.121 10.368 1.00 0.00 O ATOM 1138 CB THR A 82 -12.260 -2.391 12.301 1.00 0.00 C ATOM 1139 OG1 THR A 82 -12.160 -0.971 12.361 1.00 0.00 O ATOM 1140 CG2 THR A 82 -12.278 -2.826 13.767 1.00 0.00 C ATOM 0 H THR A 82 -9.970 -2.011 13.221 1.00 0.00 H new ATOM 0 HA THR A 82 -11.126 -3.842 11.215 1.00 0.00 H new ATOM 0 HB THR A 82 -13.127 -2.808 11.789 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.949 -0.606 12.814 1.00 0.00 H new ATOM 0 HG21 THR A 82 -13.205 -2.494 14.234 1.00 0.00 H new ATOM 0 HG22 THR A 82 -12.212 -3.912 13.825 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.430 -2.382 14.289 1.00 0.00 H new ATOM 1148 N PHE A 83 -11.410 -2.268 9.271 1.00 0.00 N ATOM 1149 CA PHE A 83 -11.226 -1.551 8.021 1.00 0.00 C ATOM 1150 C PHE A 83 -11.432 -0.047 8.217 1.00 0.00 C ATOM 1151 O PHE A 83 -10.844 0.762 7.500 1.00 0.00 O ATOM 1152 CB PHE A 83 -12.280 -2.075 7.044 1.00 0.00 C ATOM 1153 CG PHE A 83 -12.605 -1.110 5.902 1.00 0.00 C ATOM 1154 CD1 PHE A 83 -13.281 0.042 6.156 1.00 0.00 C ATOM 1155 CD2 PHE A 83 -12.217 -1.405 4.632 1.00 0.00 C ATOM 1156 CE1 PHE A 83 -13.582 0.937 5.096 1.00 0.00 C ATOM 1157 CE2 PHE A 83 -12.518 -0.510 3.572 1.00 0.00 C ATOM 1158 CZ PHE A 83 -13.194 0.642 3.826 1.00 0.00 C ATOM 0 H PHE A 83 -12.135 -2.985 9.248 1.00 0.00 H new ATOM 0 HA PHE A 83 -10.214 -1.707 7.648 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -11.932 -3.018 6.621 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -13.195 -2.291 7.595 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -13.589 0.276 7.164 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -11.680 -2.320 4.430 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -14.119 1.852 5.298 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.210 -0.744 2.564 1.00 0.00 H new ATOM 0 HZ PHE A 83 -13.423 1.323 3.019 1.00 0.00 H new ATOM 1168 N GLU A 84 -12.268 0.282 9.190 1.00 0.00 N ATOM 1169 CA GLU A 84 -12.559 1.673 9.489 1.00 0.00 C ATOM 1170 C GLU A 84 -11.310 2.372 10.032 1.00 0.00 C ATOM 1171 O GLU A 84 -11.054 3.531 9.711 1.00 0.00 O ATOM 1172 CB GLU A 84 -13.725 1.791 10.473 1.00 0.00 C ATOM 1173 CG GLU A 84 -15.058 1.503 9.780 1.00 0.00 C ATOM 1174 CD GLU A 84 -15.557 2.733 9.019 1.00 0.00 C ATOM 1175 OE1 GLU A 84 -14.692 3.457 8.480 1.00 0.00 O ATOM 1176 OE2 GLU A 84 -16.793 2.922 8.994 1.00 0.00 O ATOM 0 H GLU A 84 -12.754 -0.392 9.782 1.00 0.00 H new ATOM 0 HA GLU A 84 -12.856 2.168 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.582 1.093 11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.743 2.793 10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -14.940 0.667 9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.800 1.203 10.520 1.00 0.00 H new ATOM 1183 N GLU A 85 -10.567 1.637 10.846 1.00 0.00 N ATOM 1184 CA GLU A 85 -9.352 2.171 11.437 1.00 0.00 C ATOM 1185 C GLU A 85 -8.482 2.825 10.361 1.00 0.00 C ATOM 1186 O GLU A 85 -8.232 4.029 10.407 1.00 0.00 O ATOM 1187 CB GLU A 85 -8.577 1.080 12.179 1.00 0.00 C ATOM 1188 CG GLU A 85 -8.142 1.563 13.564 1.00 0.00 C ATOM 1189 CD GLU A 85 -6.677 1.213 13.831 1.00 0.00 C ATOM 1190 OE1 GLU A 85 -5.838 1.605 12.991 1.00 0.00 O ATOM 1191 OE2 GLU A 85 -6.428 0.563 14.869 1.00 0.00 O ATOM 0 H GLU A 85 -10.783 0.676 11.110 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.630 2.933 12.166 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.199 0.191 12.279 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.701 0.792 11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.281 2.642 13.637 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -8.773 1.108 14.327 1.00 0.00 H new ATOM 1198 N ALA A 86 -8.044 2.003 9.418 1.00 0.00 N ATOM 1199 CA ALA A 86 -7.208 2.487 8.333 1.00 0.00 C ATOM 1200 C ALA A 86 -7.726 3.848 7.864 1.00 0.00 C ATOM 1201 O ALA A 86 -6.990 4.834 7.877 1.00 0.00 O ATOM 1202 CB ALA A 86 -7.183 1.452 7.207 1.00 0.00 C ATOM 0 H ALA A 86 -8.253 1.005 9.383 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.181 2.625 8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.556 1.815 6.393 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.779 0.513 7.585 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.196 1.290 6.840 1.00 0.00 H new ATOM 1208 N ASN A 87 -8.987 3.858 7.459 1.00 0.00 N ATOM 1209 CA ASN A 87 -9.612 5.082 6.986 1.00 0.00 C ATOM 1210 C ASN A 87 -9.311 6.215 7.969 1.00 0.00 C ATOM 1211 O ASN A 87 -8.962 7.321 7.558 1.00 0.00 O ATOM 1212 CB ASN A 87 -11.131 4.925 6.895 1.00 0.00 C ATOM 1213 CG ASN A 87 -11.734 5.964 5.947 1.00 0.00 C ATOM 1214 OD1 ASN A 87 -11.554 7.161 6.101 1.00 0.00 O ATOM 1215 ND2 ASN A 87 -12.457 5.441 4.961 1.00 0.00 N ATOM 0 H ASN A 87 -9.593 3.038 7.448 1.00 0.00 H new ATOM 0 HA ASN A 87 -9.213 5.304 5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.376 3.922 6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -11.571 5.033 7.886 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.901 6.051 4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -12.567 4.429 4.891 1.00 0.00 H new ATOM 1222 N GLN A 88 -9.457 5.901 9.248 1.00 0.00 N ATOM 1223 CA GLN A 88 -9.206 6.880 10.292 1.00 0.00 C ATOM 1224 C GLN A 88 -7.734 7.297 10.285 1.00 0.00 C ATOM 1225 O GLN A 88 -7.420 8.481 10.400 1.00 0.00 O ATOM 1226 CB GLN A 88 -9.615 6.337 11.662 1.00 0.00 C ATOM 1227 CG GLN A 88 -10.964 6.912 12.099 1.00 0.00 C ATOM 1228 CD GLN A 88 -12.116 6.011 11.649 1.00 0.00 C ATOM 1229 OE1 GLN A 88 -12.142 5.780 10.340 1.00 0.00 O flip ATOM 1230 NE2 GLN A 88 -12.927 5.556 12.439 1.00 0.00 N flip ATOM 0 H GLN A 88 -9.746 4.983 9.585 1.00 0.00 H new ATOM 0 HA GLN A 88 -9.815 7.762 10.091 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.675 5.249 11.623 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.852 6.588 12.399 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.984 7.019 13.184 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.092 7.909 11.678 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.849 5.773 13.432 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.683 4.958 12.106 1.00 0.00 H new ATOM 1239 N LEU A 89 -6.870 6.302 10.149 1.00 0.00 N ATOM 1240 CA LEU A 89 -5.439 6.550 10.125 1.00 0.00 C ATOM 1241 C LEU A 89 -5.138 7.677 9.135 1.00 0.00 C ATOM 1242 O LEU A 89 -4.170 8.417 9.306 1.00 0.00 O ATOM 1243 CB LEU A 89 -4.675 5.257 9.836 1.00 0.00 C ATOM 1244 CG LEU A 89 -4.938 4.094 10.794 1.00 0.00 C ATOM 1245 CD1 LEU A 89 -3.777 3.097 10.780 1.00 0.00 C ATOM 1246 CD2 LEU A 89 -5.238 4.603 12.206 1.00 0.00 C ATOM 0 H LEU A 89 -7.134 5.321 10.054 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.094 6.884 11.104 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.921 4.932 8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.608 5.478 9.849 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.824 3.562 10.448 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.990 2.280 11.470 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.652 2.698 9.773 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.861 3.601 11.087 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.421 3.756 12.867 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.386 5.174 12.576 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.121 5.242 12.182 1.00 0.00 H new ATOM 1258 N LEU A 90 -5.985 7.772 8.120 1.00 0.00 N ATOM 1259 CA LEU A 90 -5.821 8.796 7.103 1.00 0.00 C ATOM 1260 C LEU A 90 -6.516 10.080 7.561 1.00 0.00 C ATOM 1261 O LEU A 90 -5.878 11.125 7.685 1.00 0.00 O ATOM 1262 CB LEU A 90 -6.308 8.285 5.745 1.00 0.00 C ATOM 1263 CG LEU A 90 -5.459 7.189 5.098 1.00 0.00 C ATOM 1264 CD1 LEU A 90 -5.873 6.962 3.643 1.00 0.00 C ATOM 1265 CD2 LEU A 90 -3.967 7.502 5.227 1.00 0.00 C ATOM 0 H LEU A 90 -6.786 7.157 7.981 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.766 9.034 6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.324 7.908 5.864 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.360 9.130 5.058 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.640 6.257 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.254 6.178 3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.920 6.661 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.741 7.885 3.079 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.387 6.707 4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.750 8.449 4.733 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.700 7.573 6.281 1.00 0.00 H new ATOM 1277 N ARG A 91 -7.813 9.960 7.799 1.00 0.00 N ATOM 1278 CA ARG A 91 -8.601 11.098 8.241 1.00 0.00 C ATOM 1279 C ARG A 91 -7.809 11.934 9.248 1.00 0.00 C ATOM 1280 O ARG A 91 -7.597 13.127 9.040 1.00 0.00 O ATOM 1281 CB ARG A 91 -9.912 10.644 8.885 1.00 0.00 C ATOM 1282 CG ARG A 91 -10.926 10.214 7.823 1.00 0.00 C ATOM 1283 CD ARG A 91 -11.918 9.197 8.390 1.00 0.00 C ATOM 1284 NE ARG A 91 -12.886 9.876 9.280 1.00 0.00 N ATOM 1285 CZ ARG A 91 -13.834 10.722 8.852 1.00 0.00 C ATOM 1286 NH1 ARG A 91 -13.946 10.997 7.546 1.00 0.00 N ATOM 1287 NH2 ARG A 91 -14.669 11.292 9.732 1.00 0.00 N ATOM 0 H ARG A 91 -8.339 9.092 7.694 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.831 11.702 7.363 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.719 9.814 9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.328 11.456 9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.465 11.087 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.403 9.781 6.971 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.446 8.700 7.577 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -11.383 8.424 8.943 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.828 9.689 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.310 10.563 6.877 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -14.667 11.641 7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -14.583 11.082 10.726 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.390 11.936 9.407 1.00 0.00 H new ATOM 1301 N ASP A 92 -7.392 11.273 10.319 1.00 0.00 N ATOM 1302 CA ASP A 92 -6.627 11.940 11.359 1.00 0.00 C ATOM 1303 C ASP A 92 -5.342 12.510 10.755 1.00 0.00 C ATOM 1304 O ASP A 92 -4.971 13.648 11.037 1.00 0.00 O ATOM 1305 CB ASP A 92 -6.236 10.962 12.468 1.00 0.00 C ATOM 1306 CG ASP A 92 -6.317 11.526 13.887 1.00 0.00 C ATOM 1307 OD1 ASP A 92 -7.451 11.584 14.410 1.00 0.00 O ATOM 1308 OD2 ASP A 92 -5.244 11.887 14.417 1.00 0.00 O ATOM 0 H ASP A 92 -7.570 10.283 10.488 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.248 12.732 11.779 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -6.882 10.087 12.404 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -5.217 10.620 12.287 1.00 0.00 H new ATOM 1313 N SER A 93 -4.698 11.692 9.935 1.00 0.00 N ATOM 1314 CA SER A 93 -3.462 12.101 9.290 1.00 0.00 C ATOM 1315 C SER A 93 -3.637 13.479 8.650 1.00 0.00 C ATOM 1316 O SER A 93 -2.664 14.207 8.458 1.00 0.00 O ATOM 1317 CB SER A 93 -3.027 11.079 8.238 1.00 0.00 C ATOM 1318 OG SER A 93 -1.743 10.531 8.525 1.00 0.00 O ATOM 0 H SER A 93 -5.009 10.749 9.703 1.00 0.00 H new ATOM 0 HA SER A 93 -2.682 12.157 10.049 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.761 10.275 8.188 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.007 11.554 7.257 1.00 0.00 H new ATOM 0 HG SER A 93 -1.051 11.194 8.319 1.00 0.00 H new ATOM 1324 N SER A 94 -4.885 13.797 8.337 1.00 0.00 N ATOM 1325 CA SER A 94 -5.200 15.076 7.722 1.00 0.00 C ATOM 1326 C SER A 94 -4.823 16.218 8.668 1.00 0.00 C ATOM 1327 O SER A 94 -4.772 17.377 8.258 1.00 0.00 O ATOM 1328 CB SER A 94 -6.682 15.159 7.353 1.00 0.00 C ATOM 1329 OG SER A 94 -6.910 16.041 6.257 1.00 0.00 O ATOM 0 H SER A 94 -5.690 13.191 8.498 1.00 0.00 H new ATOM 0 HA SER A 94 -4.620 15.167 6.804 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.049 14.164 7.100 1.00 0.00 H new ATOM 0 HB3 SER A 94 -7.252 15.499 8.217 1.00 0.00 H new ATOM 0 HG SER A 94 -7.868 16.066 6.051 1.00 0.00 H new ATOM 1335 N ILE A 95 -4.570 15.851 9.916 1.00 0.00 N ATOM 1336 CA ILE A 95 -4.200 16.831 10.923 1.00 0.00 C ATOM 1337 C ILE A 95 -2.833 17.422 10.576 1.00 0.00 C ATOM 1338 O ILE A 95 -2.710 18.626 10.360 1.00 0.00 O ATOM 1339 CB ILE A 95 -4.266 16.212 12.321 1.00 0.00 C ATOM 1340 CG1 ILE A 95 -5.703 16.196 12.847 1.00 0.00 C ATOM 1341 CG2 ILE A 95 -3.312 16.926 13.282 1.00 0.00 C ATOM 1342 CD1 ILE A 95 -5.796 15.422 14.163 1.00 0.00 C ATOM 0 H ILE A 95 -4.614 14.889 10.252 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.911 17.657 10.931 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.937 15.175 12.251 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -6.051 17.218 12.997 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.360 15.741 12.106 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -3.378 16.467 14.268 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.291 16.842 12.910 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -3.587 17.978 13.352 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.828 15.426 14.515 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.471 14.394 14.004 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.156 15.894 14.909 1.00 0.00 H new ATOM 1354 N THR A 96 -1.839 16.546 10.533 1.00 0.00 N ATOM 1355 CA THR A 96 -0.485 16.966 10.215 1.00 0.00 C ATOM 1356 C THR A 96 -0.351 17.246 8.717 1.00 0.00 C ATOM 1357 O THR A 96 0.689 17.719 8.261 1.00 0.00 O ATOM 1358 CB THR A 96 0.476 15.888 10.720 1.00 0.00 C ATOM 1359 OG1 THR A 96 1.768 16.397 10.402 1.00 0.00 O ATOM 1360 CG2 THR A 96 0.377 14.592 9.913 1.00 0.00 C ATOM 0 H THR A 96 -1.945 15.548 10.713 1.00 0.00 H new ATOM 0 HA THR A 96 -0.235 17.903 10.712 1.00 0.00 H new ATOM 0 HB THR A 96 0.268 15.679 11.769 1.00 0.00 H new ATOM 0 HG1 THR A 96 1.695 17.037 9.663 1.00 0.00 H new ATOM 0 HG21 THR A 96 1.079 13.860 10.312 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.637 14.197 9.982 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.618 14.794 8.869 1.00 0.00 H new ATOM 1368 N SER A 97 -1.418 16.942 7.993 1.00 0.00 N ATOM 1369 CA SER A 97 -1.432 17.155 6.556 1.00 0.00 C ATOM 1370 C SER A 97 -0.403 16.246 5.882 1.00 0.00 C ATOM 1371 O SER A 97 0.055 16.533 4.777 1.00 0.00 O ATOM 1372 CB SER A 97 -1.152 18.620 6.213 1.00 0.00 C ATOM 1373 OG SER A 97 -2.353 19.363 6.023 1.00 0.00 O ATOM 0 H SER A 97 -2.279 16.550 8.375 1.00 0.00 H new ATOM 0 HA SER A 97 -2.426 16.907 6.183 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.567 19.074 7.013 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.547 18.671 5.308 1.00 0.00 H new ATOM 0 HG SER A 97 -2.132 20.293 5.808 1.00 0.00 H new ATOM 1379 N LYS A 98 -0.070 15.167 6.575 1.00 0.00 N ATOM 1380 CA LYS A 98 0.897 14.214 6.057 1.00 0.00 C ATOM 1381 C LYS A 98 0.539 12.811 6.551 1.00 0.00 C ATOM 1382 O LYS A 98 0.117 12.641 7.694 1.00 0.00 O ATOM 1383 CB LYS A 98 2.321 14.647 6.414 1.00 0.00 C ATOM 1384 CG LYS A 98 3.231 14.606 5.184 1.00 0.00 C ATOM 1385 CD LYS A 98 4.535 15.363 5.442 1.00 0.00 C ATOM 1386 CE LYS A 98 4.819 16.363 4.320 1.00 0.00 C ATOM 1387 NZ LYS A 98 5.442 17.590 4.865 1.00 0.00 N ATOM 0 H LYS A 98 -0.453 14.932 7.491 1.00 0.00 H new ATOM 0 HA LYS A 98 0.860 14.188 4.968 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.306 15.656 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 98 2.721 13.992 7.189 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.452 13.571 4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.714 15.044 4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.472 15.888 6.395 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.361 14.656 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 98 5.479 15.911 3.580 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.891 16.616 3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.628 18.258 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.799 18.029 5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.337 17.346 5.334 1.00 0.00 H new ATOM 1401 N VAL A 99 0.721 11.842 5.666 1.00 0.00 N ATOM 1402 CA VAL A 99 0.422 10.460 5.998 1.00 0.00 C ATOM 1403 C VAL A 99 1.495 9.551 5.394 1.00 0.00 C ATOM 1404 O VAL A 99 1.960 9.790 4.280 1.00 0.00 O ATOM 1405 CB VAL A 99 -0.992 10.104 5.536 1.00 0.00 C ATOM 1406 CG1 VAL A 99 -1.094 10.134 4.010 1.00 0.00 C ATOM 1407 CG2 VAL A 99 -1.424 8.744 6.087 1.00 0.00 C ATOM 0 H VAL A 99 1.072 11.987 4.719 1.00 0.00 H new ATOM 0 HA VAL A 99 0.442 10.314 7.078 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.673 10.857 5.933 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.109 9.877 3.708 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.850 11.133 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.396 9.413 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.433 8.516 5.743 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.738 7.974 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -1.410 8.772 7.177 1.00 0.00 H new ATOM 1417 N THR A 100 1.856 8.528 6.154 1.00 0.00 N ATOM 1418 CA THR A 100 2.865 7.583 5.708 1.00 0.00 C ATOM 1419 C THR A 100 2.248 6.196 5.515 1.00 0.00 C ATOM 1420 O THR A 100 1.601 5.669 6.419 1.00 0.00 O ATOM 1421 CB THR A 100 4.012 7.602 6.720 1.00 0.00 C ATOM 1422 OG1 THR A 100 4.503 8.939 6.662 1.00 0.00 O ATOM 1423 CG2 THR A 100 5.201 6.749 6.274 1.00 0.00 C ATOM 0 H THR A 100 1.467 8.333 7.077 1.00 0.00 H new ATOM 0 HA THR A 100 3.267 7.864 4.735 1.00 0.00 H new ATOM 0 HB THR A 100 3.651 7.245 7.685 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.249 9.041 7.289 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.987 6.797 7.028 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.880 5.715 6.150 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.584 7.126 5.326 1.00 0.00 H new ATOM 1431 N LEU A 101 2.470 5.644 4.331 1.00 0.00 N ATOM 1432 CA LEU A 101 1.945 4.329 4.008 1.00 0.00 C ATOM 1433 C LEU A 101 3.108 3.365 3.765 1.00 0.00 C ATOM 1434 O LEU A 101 3.928 3.588 2.875 1.00 0.00 O ATOM 1435 CB LEU A 101 0.964 4.417 2.837 1.00 0.00 C ATOM 1436 CG LEU A 101 -0.343 5.163 3.111 1.00 0.00 C ATOM 1437 CD1 LEU A 101 -1.080 5.477 1.807 1.00 0.00 C ATOM 1438 CD2 LEU A 101 -1.223 4.385 4.093 1.00 0.00 C ATOM 0 H LEU A 101 3.007 6.084 3.584 1.00 0.00 H new ATOM 0 HA LEU A 101 1.372 3.932 4.845 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.469 4.903 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.721 3.404 2.516 1.00 0.00 H new ATOM 0 HG LEU A 101 -0.100 6.116 3.581 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.006 6.007 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.449 6.100 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.311 4.547 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.146 4.937 4.271 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.460 3.407 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.690 4.256 5.035 1.00 0.00 H new ATOM 1450 N GLU A 102 3.142 2.315 4.572 1.00 0.00 N ATOM 1451 CA GLU A 102 4.192 1.316 4.456 1.00 0.00 C ATOM 1452 C GLU A 102 3.831 0.290 3.380 1.00 0.00 C ATOM 1453 O GLU A 102 2.984 -0.575 3.602 1.00 0.00 O ATOM 1454 CB GLU A 102 4.450 0.634 5.800 1.00 0.00 C ATOM 1455 CG GLU A 102 5.529 -0.444 5.670 1.00 0.00 C ATOM 1456 CD GLU A 102 5.979 -0.938 7.046 1.00 0.00 C ATOM 1457 OE1 GLU A 102 6.755 -0.198 7.689 1.00 0.00 O ATOM 1458 OE2 GLU A 102 5.537 -2.044 7.425 1.00 0.00 O ATOM 0 H GLU A 102 2.460 2.134 5.309 1.00 0.00 H new ATOM 0 HA GLU A 102 5.113 1.817 4.158 1.00 0.00 H new ATOM 0 HB2 GLU A 102 4.760 1.377 6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 102 3.527 0.187 6.168 1.00 0.00 H new ATOM 0 HG2 GLU A 102 5.144 -1.281 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 102 6.384 -0.044 5.126 1.00 0.00 H new ATOM 1465 N ILE A 103 4.490 0.419 2.239 1.00 0.00 N ATOM 1466 CA ILE A 103 4.249 -0.487 1.128 1.00 0.00 C ATOM 1467 C ILE A 103 5.422 -1.463 1.008 1.00 0.00 C ATOM 1468 O ILE A 103 6.467 -1.261 1.624 1.00 0.00 O ATOM 1469 CB ILE A 103 3.970 0.300 -0.154 1.00 0.00 C ATOM 1470 CG1 ILE A 103 2.802 1.268 0.040 1.00 0.00 C ATOM 1471 CG2 ILE A 103 3.743 -0.643 -1.337 1.00 0.00 C ATOM 1472 CD1 ILE A 103 1.499 0.510 0.304 1.00 0.00 C ATOM 0 H ILE A 103 5.191 1.137 2.059 1.00 0.00 H new ATOM 0 HA ILE A 103 3.355 -1.083 1.309 1.00 0.00 H new ATOM 0 HB ILE A 103 4.850 0.900 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 103 3.014 1.936 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.691 1.892 -0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.547 -0.058 -2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 103 4.631 -1.256 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.889 -1.288 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.685 1.222 0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.278 -0.139 -0.543 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.605 -0.094 1.205 1.00 0.00 H new ATOM 1484 N GLU A 104 5.208 -2.499 0.211 1.00 0.00 N ATOM 1485 CA GLU A 104 6.234 -3.507 0.002 1.00 0.00 C ATOM 1486 C GLU A 104 6.165 -4.046 -1.428 1.00 0.00 C ATOM 1487 O GLU A 104 5.102 -4.460 -1.888 1.00 0.00 O ATOM 1488 CB GLU A 104 6.105 -4.640 1.023 1.00 0.00 C ATOM 1489 CG GLU A 104 6.801 -5.908 0.524 1.00 0.00 C ATOM 1490 CD GLU A 104 7.224 -6.797 1.695 1.00 0.00 C ATOM 1491 OE1 GLU A 104 8.159 -6.383 2.414 1.00 0.00 O ATOM 1492 OE2 GLU A 104 6.602 -7.871 1.845 1.00 0.00 O ATOM 0 H GLU A 104 4.339 -2.663 -0.298 1.00 0.00 H new ATOM 0 HA GLU A 104 7.209 -3.041 0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.542 -4.330 1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.051 -4.848 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 104 6.130 -6.461 -0.133 1.00 0.00 H new ATOM 0 HG3 GLU A 104 7.676 -5.638 -0.067 1.00 0.00 H new ATOM 1499 N PHE A 105 7.312 -4.024 -2.090 1.00 0.00 N ATOM 1500 CA PHE A 105 7.395 -4.506 -3.459 1.00 0.00 C ATOM 1501 C PHE A 105 8.522 -5.530 -3.612 1.00 0.00 C ATOM 1502 O PHE A 105 9.255 -5.798 -2.662 1.00 0.00 O ATOM 1503 CB PHE A 105 7.700 -3.294 -4.342 1.00 0.00 C ATOM 1504 CG PHE A 105 8.899 -2.467 -3.872 1.00 0.00 C ATOM 1505 CD1 PHE A 105 8.788 -1.672 -2.775 1.00 0.00 C ATOM 1506 CD2 PHE A 105 10.075 -2.528 -4.552 1.00 0.00 C ATOM 1507 CE1 PHE A 105 9.900 -0.905 -2.339 1.00 0.00 C ATOM 1508 CE2 PHE A 105 11.188 -1.761 -4.116 1.00 0.00 C ATOM 1509 CZ PHE A 105 11.077 -0.965 -3.018 1.00 0.00 C ATOM 0 H PHE A 105 8.192 -3.680 -1.705 1.00 0.00 H new ATOM 0 HA PHE A 105 6.460 -4.990 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 105 7.885 -3.637 -5.360 1.00 0.00 H new ATOM 0 HB3 PHE A 105 6.820 -2.652 -4.376 1.00 0.00 H new ATOM 0 HD1 PHE A 105 7.854 -1.624 -2.235 1.00 0.00 H new ATOM 0 HD2 PHE A 105 10.163 -3.160 -5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 105 9.811 -0.273 -1.467 1.00 0.00 H new ATOM 0 HE2 PHE A 105 12.122 -1.810 -4.656 1.00 0.00 H new ATOM 0 HZ PHE A 105 11.923 -0.381 -2.686 1.00 0.00 H new ATOM 1519 N ASP A 106 8.624 -6.074 -4.815 1.00 0.00 N ATOM 1520 CA ASP A 106 9.648 -7.063 -5.105 1.00 0.00 C ATOM 1521 C ASP A 106 10.878 -6.362 -5.684 1.00 0.00 C ATOM 1522 O ASP A 106 10.751 -5.396 -6.436 1.00 0.00 O ATOM 1523 CB ASP A 106 9.156 -8.081 -6.136 1.00 0.00 C ATOM 1524 CG ASP A 106 8.386 -7.485 -7.316 1.00 0.00 C ATOM 1525 OD1 ASP A 106 7.251 -7.019 -7.076 1.00 0.00 O ATOM 1526 OD2 ASP A 106 8.949 -7.510 -8.432 1.00 0.00 O ATOM 0 H ASP A 106 8.014 -5.849 -5.601 1.00 0.00 H new ATOM 0 HA ASP A 106 9.890 -7.579 -4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 106 10.015 -8.629 -6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 106 8.516 -8.805 -5.632 1.00 0.00 H new