USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 620 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 17 HIS : no HD1:sc= 0.446 K(o=0.98,f=-0.014) USER MOD Set 1.2: A 94 SER OG : rot -90:sc= 0.536 USER MOD Single : A 11 THR OG1 : rot -24:sc= 0.523 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-1.9) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -89:sc= 1.4 USER MOD Single : A 59 CYS SG : rot 97:sc= -0.0013 USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0101) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.24 K(o=-1.2,f=-4.6!) USER MOD Single : A 74 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.26) USER MOD Single : A 75 SER OG : rot 38:sc= 0.109 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 79 MET CE :methyl 160:sc=-0.00504 (180deg=-1.49) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N THR A 11 -8.122 -11.181 -9.607 1.00 0.00 N ATOM 114 CA THR A 11 -7.783 -10.242 -8.559 1.00 0.00 C ATOM 115 C THR A 11 -8.300 -8.869 -9.003 1.00 0.00 C ATOM 116 O THR A 11 -8.183 -8.520 -10.186 1.00 0.00 O ATOM 117 CB THR A 11 -6.266 -10.285 -8.321 1.00 0.00 C ATOM 118 OG1 THR A 11 -5.522 -10.143 -9.515 1.00 0.00 O ATOM 119 CG2 THR A 11 -5.798 -11.576 -7.648 1.00 0.00 C ATOM 0 HA THR A 11 -8.246 -10.486 -7.603 1.00 0.00 H new ATOM 0 HB THR A 11 -6.082 -9.438 -7.659 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.070 -10.423 -10.277 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.717 -11.543 -7.509 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.286 -11.679 -6.679 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.057 -12.428 -8.276 1.00 0.00 H new ATOM 127 N SER A 12 -8.856 -8.088 -8.077 1.00 0.00 N ATOM 128 CA SER A 12 -9.498 -6.816 -8.366 1.00 0.00 C ATOM 129 C SER A 12 -8.425 -5.788 -8.060 1.00 0.00 C ATOM 130 O SER A 12 -7.742 -5.938 -7.048 1.00 0.00 O ATOM 131 CB SER A 12 -10.689 -6.615 -7.417 1.00 0.00 C ATOM 132 OG SER A 12 -11.503 -7.775 -7.304 1.00 0.00 O ATOM 0 H SER A 12 -8.870 -8.331 -7.087 1.00 0.00 H new ATOM 0 HA SER A 12 -9.873 -6.749 -9.387 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.319 -6.338 -6.430 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.296 -5.783 -7.774 1.00 0.00 H new ATOM 0 HG SER A 12 -12.244 -7.596 -6.689 1.00 0.00 H new ATOM 138 N ASP A 13 -8.231 -4.781 -8.902 1.00 0.00 N ATOM 139 CA ASP A 13 -7.216 -3.759 -8.694 1.00 0.00 C ATOM 140 C ASP A 13 -7.938 -2.451 -8.430 1.00 0.00 C ATOM 141 O ASP A 13 -8.512 -1.852 -9.334 1.00 0.00 O ATOM 142 CB ASP A 13 -6.204 -3.695 -9.851 1.00 0.00 C ATOM 143 CG ASP A 13 -6.767 -3.200 -11.186 1.00 0.00 C ATOM 144 OD1 ASP A 13 -7.522 -3.973 -11.828 1.00 0.00 O ATOM 145 OD2 ASP A 13 -6.343 -2.115 -11.644 1.00 0.00 O ATOM 0 H ASP A 13 -8.777 -4.651 -9.753 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.598 -4.001 -7.829 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.382 -3.042 -9.557 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.783 -4.690 -9.999 1.00 0.00 H new ATOM 150 N VAL A 14 -7.962 -2.044 -7.162 1.00 0.00 N ATOM 151 CA VAL A 14 -8.554 -0.788 -6.746 1.00 0.00 C ATOM 152 C VAL A 14 -7.446 0.250 -6.881 1.00 0.00 C ATOM 153 O VAL A 14 -6.330 -0.008 -6.425 1.00 0.00 O ATOM 154 CB VAL A 14 -9.057 -0.884 -5.278 1.00 0.00 C ATOM 155 CG1 VAL A 14 -9.877 0.384 -4.980 1.00 0.00 C ATOM 156 CG2 VAL A 14 -9.909 -2.133 -4.985 1.00 0.00 C ATOM 0 H VAL A 14 -7.566 -2.586 -6.394 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.420 -0.524 -7.353 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.181 -0.970 -4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.245 0.347 -3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.246 1.264 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.722 0.441 -5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.220 -2.124 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.791 -2.131 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.320 -3.029 -5.181 1.00 0.00 H new ATOM 166 N VAL A 15 -7.745 1.451 -7.369 1.00 0.00 N ATOM 167 CA VAL A 15 -6.830 2.584 -7.304 1.00 0.00 C ATOM 168 C VAL A 15 -7.578 3.783 -6.714 1.00 0.00 C ATOM 169 O VAL A 15 -8.773 3.972 -6.964 1.00 0.00 O ATOM 170 CB VAL A 15 -6.200 2.810 -8.696 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.211 3.314 -9.733 1.00 0.00 C ATOM 172 CG2 VAL A 15 -4.986 3.750 -8.629 1.00 0.00 C ATOM 0 H VAL A 15 -8.633 1.665 -7.822 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.987 2.403 -6.637 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.858 1.830 -9.028 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.710 3.454 -10.691 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.012 2.583 -9.846 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.631 4.263 -9.400 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.573 3.882 -9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.296 4.717 -8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.227 3.318 -7.977 1.00 0.00 H new ATOM 182 N ILE A 16 -6.874 4.579 -5.908 1.00 0.00 N ATOM 183 CA ILE A 16 -7.304 5.846 -5.327 1.00 0.00 C ATOM 184 C ILE A 16 -6.155 6.822 -5.584 1.00 0.00 C ATOM 185 O ILE A 16 -5.002 6.398 -5.668 1.00 0.00 O ATOM 186 CB ILE A 16 -7.611 5.671 -3.815 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.871 4.795 -3.575 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.797 7.016 -3.089 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.690 3.650 -2.572 1.00 0.00 C ATOM 0 H ILE A 16 -5.924 4.337 -5.626 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.227 6.219 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.737 5.168 -3.401 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.679 5.438 -3.226 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.188 4.374 -4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.009 6.834 -2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.886 7.607 -3.179 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.628 7.560 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.626 3.100 -2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.908 2.977 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.407 4.058 -1.602 1.00 0.00 H new ATOM 201 N HIS A 17 -6.470 8.115 -5.689 1.00 0.00 N ATOM 202 CA HIS A 17 -5.559 9.211 -6.008 1.00 0.00 C ATOM 203 C HIS A 17 -5.793 10.324 -4.977 1.00 0.00 C ATOM 204 O HIS A 17 -6.954 10.696 -4.782 1.00 0.00 O ATOM 205 CB HIS A 17 -5.897 9.701 -7.426 1.00 0.00 C ATOM 206 CG HIS A 17 -5.535 8.734 -8.533 1.00 0.00 C ATOM 207 ND1 HIS A 17 -4.480 8.863 -9.407 1.00 0.00 N ATOM 208 CD2 HIS A 17 -6.190 7.576 -8.860 1.00 0.00 C ATOM 209 CE1 HIS A 17 -4.472 7.789 -10.210 1.00 0.00 C ATOM 210 NE2 HIS A 17 -5.508 6.980 -9.927 1.00 0.00 N ATOM 0 H HIS A 17 -7.425 8.442 -5.545 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.514 8.903 -5.974 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -6.966 9.909 -7.479 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.380 10.644 -7.603 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.077 7.191 -8.379 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.736 7.600 -10.977 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -5.749 6.107 -10.396 1.00 0.00 H new ATOM 218 N ARG A 18 -4.757 10.872 -4.326 1.00 0.00 N ATOM 219 CA ARG A 18 -4.892 11.872 -3.247 1.00 0.00 C ATOM 220 C ARG A 18 -4.058 13.116 -3.562 1.00 0.00 C ATOM 221 O ARG A 18 -3.419 13.166 -4.606 1.00 0.00 O ATOM 222 CB ARG A 18 -4.510 11.252 -1.892 1.00 0.00 C ATOM 223 CG ARG A 18 -2.991 11.104 -1.771 1.00 0.00 C ATOM 224 CD ARG A 18 -2.488 10.283 -0.598 1.00 0.00 C ATOM 225 NE ARG A 18 -1.018 10.222 -0.651 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.214 9.704 0.276 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.734 9.047 1.304 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.095 9.863 0.165 1.00 0.00 N ATOM 0 H ARG A 18 -3.787 10.633 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.934 12.187 -3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.885 11.878 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.985 10.276 -1.787 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.617 10.653 -2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.554 12.100 -1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.813 10.730 0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.908 9.278 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.571 10.615 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.745 8.940 1.382 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.123 8.648 2.017 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.481 10.379 -0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.718 9.470 0.870 1.00 0.00 H new ATOM 242 N LYS A 19 -4.070 14.121 -2.687 1.00 0.00 N ATOM 243 CA LYS A 19 -3.251 15.324 -2.805 1.00 0.00 C ATOM 244 C LYS A 19 -2.020 15.181 -1.907 1.00 0.00 C ATOM 245 O LYS A 19 -2.004 14.342 -1.003 1.00 0.00 O ATOM 246 CB LYS A 19 -4.076 16.564 -2.433 1.00 0.00 C ATOM 247 CG LYS A 19 -5.016 17.025 -3.558 1.00 0.00 C ATOM 248 CD LYS A 19 -6.405 16.373 -3.600 1.00 0.00 C ATOM 249 CE LYS A 19 -6.457 14.955 -4.188 1.00 0.00 C ATOM 250 NZ LYS A 19 -7.691 14.706 -4.956 1.00 0.00 N ATOM 0 H LYS A 19 -4.664 14.120 -1.858 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.918 15.448 -3.835 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.665 16.347 -1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.399 17.379 -2.177 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.148 18.104 -3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.523 16.839 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.802 16.341 -2.585 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.069 17.012 -4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.593 14.802 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.383 14.227 -3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.677 13.736 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.517 14.825 -4.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.751 15.381 -5.745 1.00 0.00 H new ATOM 264 N GLU A 20 -0.991 16.009 -2.088 1.00 0.00 N ATOM 265 CA GLU A 20 0.176 15.970 -1.201 1.00 0.00 C ATOM 266 C GLU A 20 -0.123 16.610 0.161 1.00 0.00 C ATOM 267 O GLU A 20 0.650 16.426 1.105 1.00 0.00 O ATOM 268 CB GLU A 20 1.393 16.636 -1.859 1.00 0.00 C ATOM 269 CG GLU A 20 2.109 15.665 -2.803 1.00 0.00 C ATOM 270 CD GLU A 20 3.525 16.086 -3.171 1.00 0.00 C ATOM 271 OE1 GLU A 20 3.802 17.302 -3.259 1.00 0.00 O ATOM 272 OE2 GLU A 20 4.355 15.191 -3.454 1.00 0.00 O ATOM 0 H GLU A 20 -0.939 16.707 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 20 0.413 14.920 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.073 17.518 -2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.085 16.977 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.144 14.681 -2.336 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.523 15.564 -3.716 1.00 0.00 H new ATOM 279 N ASN A 21 -1.240 17.333 0.293 1.00 0.00 N ATOM 280 CA ASN A 21 -1.647 17.951 1.554 1.00 0.00 C ATOM 281 C ASN A 21 -2.193 16.942 2.566 1.00 0.00 C ATOM 282 O ASN A 21 -2.465 17.305 3.706 1.00 0.00 O ATOM 283 CB ASN A 21 -2.689 19.047 1.301 1.00 0.00 C ATOM 284 CG ASN A 21 -2.542 20.146 2.340 1.00 0.00 C ATOM 285 OD1 ASN A 21 -1.652 20.983 2.213 1.00 0.00 O ATOM 286 ND2 ASN A 21 -3.392 20.232 3.341 1.00 0.00 N ATOM 0 H ASN A 21 -1.888 17.505 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.747 18.387 1.988 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.560 19.460 0.301 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.693 18.624 1.345 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.313 20.995 4.013 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.130 19.536 3.444 1.00 0.00 H new ATOM 293 N GLU A 22 -2.402 15.686 2.170 1.00 0.00 N ATOM 294 CA GLU A 22 -3.246 14.733 2.884 1.00 0.00 C ATOM 295 C GLU A 22 -2.652 13.324 2.824 1.00 0.00 C ATOM 296 O GLU A 22 -1.533 13.120 2.341 1.00 0.00 O ATOM 297 CB GLU A 22 -4.671 14.802 2.311 1.00 0.00 C ATOM 298 CG GLU A 22 -4.733 14.398 0.828 1.00 0.00 C ATOM 299 CD GLU A 22 -6.130 14.486 0.220 1.00 0.00 C ATOM 300 OE1 GLU A 22 -7.067 14.975 0.890 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.280 14.119 -0.973 1.00 0.00 O ATOM 0 H GLU A 22 -1.980 15.297 1.327 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.292 14.995 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.323 14.148 2.889 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.055 15.816 2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.059 15.038 0.259 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.366 13.377 0.724 1.00 0.00 H new ATOM 308 N GLY A 23 -3.383 12.354 3.367 1.00 0.00 N ATOM 309 CA GLY A 23 -3.065 10.939 3.335 1.00 0.00 C ATOM 310 C GLY A 23 -4.153 10.203 2.562 1.00 0.00 C ATOM 311 O GLY A 23 -5.112 10.810 2.083 1.00 0.00 O ATOM 0 H GLY A 23 -4.253 12.548 3.863 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.095 10.782 2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.993 10.546 4.349 1.00 0.00 H new ATOM 315 N PHE A 24 -4.033 8.880 2.440 1.00 0.00 N ATOM 316 CA PHE A 24 -5.205 8.074 2.138 1.00 0.00 C ATOM 317 C PHE A 24 -6.031 7.980 3.425 1.00 0.00 C ATOM 318 O PHE A 24 -5.602 8.433 4.493 1.00 0.00 O ATOM 319 CB PHE A 24 -4.790 6.695 1.623 1.00 0.00 C ATOM 320 CG PHE A 24 -3.849 6.720 0.439 1.00 0.00 C ATOM 321 CD1 PHE A 24 -4.355 6.973 -0.852 1.00 0.00 C ATOM 322 CD2 PHE A 24 -2.473 6.482 0.620 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.483 7.012 -1.951 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.602 6.530 -0.482 1.00 0.00 C ATOM 325 CZ PHE A 24 -2.105 6.803 -1.766 1.00 0.00 C ATOM 0 H PHE A 24 -3.161 8.361 2.543 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.803 8.528 1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -4.315 6.146 2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.687 6.141 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.413 7.137 -0.995 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.087 6.263 1.605 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.871 7.203 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.545 6.357 -0.342 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.433 6.852 -2.610 1.00 0.00 H new ATOM 335 N GLY A 25 -7.209 7.376 3.342 1.00 0.00 N ATOM 336 CA GLY A 25 -8.134 7.276 4.458 1.00 0.00 C ATOM 337 C GLY A 25 -8.606 5.850 4.669 1.00 0.00 C ATOM 338 O GLY A 25 -9.800 5.642 4.828 1.00 0.00 O ATOM 0 H GLY A 25 -7.551 6.937 2.487 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.650 7.637 5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.994 7.921 4.277 1.00 0.00 H new ATOM 342 N PHE A 26 -7.697 4.878 4.661 1.00 0.00 N ATOM 343 CA PHE A 26 -8.004 3.476 4.905 1.00 0.00 C ATOM 344 C PHE A 26 -6.979 2.926 5.897 1.00 0.00 C ATOM 345 O PHE A 26 -5.808 3.329 5.874 1.00 0.00 O ATOM 346 CB PHE A 26 -8.027 2.712 3.572 1.00 0.00 C ATOM 347 CG PHE A 26 -6.669 2.440 2.944 1.00 0.00 C ATOM 348 CD1 PHE A 26 -6.025 3.447 2.203 1.00 0.00 C ATOM 349 CD2 PHE A 26 -6.053 1.180 3.081 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.763 3.210 1.627 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.773 0.955 2.537 1.00 0.00 C ATOM 352 CZ PHE A 26 -4.123 1.973 1.816 1.00 0.00 C ATOM 0 H PHE A 26 -6.708 5.049 4.481 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.993 3.355 5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.531 1.759 3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.629 3.277 2.861 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.502 4.408 2.075 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.563 0.385 3.604 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.286 3.980 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.290 -0.001 2.674 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.137 1.805 1.410 1.00 0.00 H new ATOM 362 N VAL A 27 -7.418 2.034 6.781 1.00 0.00 N ATOM 363 CA VAL A 27 -6.665 1.525 7.920 1.00 0.00 C ATOM 364 C VAL A 27 -6.544 0.025 7.706 1.00 0.00 C ATOM 365 O VAL A 27 -7.563 -0.668 7.693 1.00 0.00 O ATOM 366 CB VAL A 27 -7.410 1.868 9.231 1.00 0.00 C ATOM 367 CG1 VAL A 27 -6.673 1.374 10.483 1.00 0.00 C ATOM 368 CG2 VAL A 27 -7.678 3.376 9.355 1.00 0.00 C ATOM 0 H VAL A 27 -8.352 1.629 6.718 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.675 1.973 8.000 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.361 1.339 9.172 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -7.244 1.644 11.371 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -6.564 0.290 10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.687 1.836 10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.203 3.577 10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.731 3.916 9.348 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.290 3.707 8.516 1.00 0.00 H new ATOM 378 N ILE A 28 -5.332 -0.486 7.494 1.00 0.00 N ATOM 379 CA ILE A 28 -5.094 -1.920 7.400 1.00 0.00 C ATOM 380 C ILE A 28 -5.073 -2.455 8.834 1.00 0.00 C ATOM 381 O ILE A 28 -4.441 -1.844 9.701 1.00 0.00 O ATOM 382 CB ILE A 28 -3.750 -2.221 6.694 1.00 0.00 C ATOM 383 CG1 ILE A 28 -3.562 -1.475 5.352 1.00 0.00 C ATOM 384 CG2 ILE A 28 -3.620 -3.732 6.454 1.00 0.00 C ATOM 385 CD1 ILE A 28 -2.080 -1.303 5.001 1.00 0.00 C ATOM 0 H ILE A 28 -4.492 0.082 7.383 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.874 -2.398 6.808 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.970 -1.859 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.063 -2.026 4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.038 -0.496 5.410 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.673 -3.941 5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.652 -4.256 7.409 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.443 -4.073 5.825 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.990 -0.775 4.052 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.585 -0.729 5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.610 -2.283 4.917 1.00 0.00 H new ATOM 397 N ILE A 29 -5.714 -3.594 9.079 1.00 0.00 N ATOM 398 CA ILE A 29 -5.540 -4.419 10.248 1.00 0.00 C ATOM 399 C ILE A 29 -5.365 -5.870 9.789 1.00 0.00 C ATOM 400 O ILE A 29 -5.639 -6.182 8.626 1.00 0.00 O ATOM 401 CB ILE A 29 -6.752 -4.241 11.178 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.068 -4.854 10.641 1.00 0.00 C ATOM 403 CG2 ILE A 29 -6.949 -2.768 11.577 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.209 -4.813 11.671 1.00 0.00 C ATOM 0 H ILE A 29 -6.401 -3.977 8.429 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.654 -4.130 10.813 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.507 -4.816 12.071 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.375 -4.316 9.744 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.888 -5.888 10.346 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.814 -2.682 12.234 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.061 -2.410 12.098 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.111 -2.167 10.682 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.106 -5.256 11.238 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.918 -5.375 12.559 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.413 -3.778 11.947 1.00 0.00 H new ATOM 616 N PRO A 44 -3.476 -11.929 6.345 1.00 0.00 N ATOM 617 CA PRO A 44 -2.454 -10.916 6.175 1.00 0.00 C ATOM 618 C PRO A 44 -3.041 -9.759 5.355 1.00 0.00 C ATOM 619 O PRO A 44 -2.934 -9.749 4.128 1.00 0.00 O ATOM 620 CB PRO A 44 -1.286 -11.622 5.487 1.00 0.00 C ATOM 621 CG PRO A 44 -2.003 -12.672 4.645 1.00 0.00 C ATOM 622 CD PRO A 44 -3.203 -13.073 5.496 1.00 0.00 C ATOM 0 HA PRO A 44 -2.105 -10.477 7.110 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.700 -10.938 4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -0.601 -12.073 6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.314 -12.267 3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.358 -13.526 4.438 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.064 -13.313 4.872 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -2.984 -13.960 6.091 1.00 0.00 H new ATOM 630 N HIS A 45 -3.628 -8.795 6.067 1.00 0.00 N ATOM 631 CA HIS A 45 -4.072 -7.461 5.662 1.00 0.00 C ATOM 632 C HIS A 45 -5.534 -7.483 5.211 1.00 0.00 C ATOM 633 O HIS A 45 -5.930 -8.202 4.291 1.00 0.00 O ATOM 634 CB HIS A 45 -3.154 -6.783 4.625 1.00 0.00 C ATOM 635 CG HIS A 45 -1.723 -6.558 5.065 1.00 0.00 C ATOM 636 ND1 HIS A 45 -0.948 -7.396 5.835 1.00 0.00 N ATOM 637 CD2 HIS A 45 -0.927 -5.513 4.680 1.00 0.00 C ATOM 638 CE1 HIS A 45 0.282 -6.868 5.909 1.00 0.00 C ATOM 639 NE2 HIS A 45 0.345 -5.714 5.229 1.00 0.00 N ATOM 0 H HIS A 45 -3.826 -8.950 7.056 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.999 -6.835 6.551 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.146 -7.392 3.721 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.588 -5.820 4.357 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.227 -4.680 4.062 1.00 0.00 H new ATOM 0 HE1 HIS A 45 1.109 -7.311 6.443 1.00 0.00 H new ATOM 0 HE2 HIS A 45 1.157 -5.105 5.131 1.00 0.00 H new ATOM 647 N LYS A 46 -6.354 -6.648 5.849 1.00 0.00 N ATOM 648 CA LYS A 46 -7.681 -6.259 5.380 1.00 0.00 C ATOM 649 C LYS A 46 -7.927 -4.813 5.781 1.00 0.00 C ATOM 650 O LYS A 46 -7.276 -4.313 6.701 1.00 0.00 O ATOM 651 CB LYS A 46 -8.777 -7.180 5.952 1.00 0.00 C ATOM 652 CG LYS A 46 -8.950 -7.068 7.477 1.00 0.00 C ATOM 653 CD LYS A 46 -10.215 -7.763 7.990 1.00 0.00 C ATOM 654 CE LYS A 46 -10.379 -7.353 9.456 1.00 0.00 C ATOM 655 NZ LYS A 46 -11.582 -7.922 10.092 1.00 0.00 N ATOM 0 H LYS A 46 -6.103 -6.210 6.735 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.722 -6.358 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.725 -6.943 5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.539 -8.213 5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.079 -7.502 7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.982 -6.015 7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.085 -7.464 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.126 -8.845 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.498 -7.669 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.424 -6.266 9.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.634 -7.606 11.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.429 -7.601 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.532 -8.960 10.062 1.00 0.00 H new ATOM 669 N ILE A 47 -8.917 -4.165 5.176 1.00 0.00 N ATOM 670 CA ILE A 47 -9.435 -2.909 5.696 1.00 0.00 C ATOM 671 C ILE A 47 -10.087 -3.185 7.057 1.00 0.00 C ATOM 672 O ILE A 47 -10.925 -4.085 7.181 1.00 0.00 O ATOM 673 CB ILE A 47 -10.445 -2.281 4.719 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.951 -2.166 3.265 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.896 -0.896 5.209 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.678 -1.348 3.043 1.00 0.00 C ATOM 0 H ILE A 47 -9.375 -4.491 4.325 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.620 -2.195 5.814 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.283 -2.978 4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.782 -3.172 2.881 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.749 -1.726 2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.609 -0.474 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.369 -0.992 6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.030 -0.238 5.288 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.431 -1.340 1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.838 -0.326 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.856 -1.794 3.603 1.00 0.00 H new ATOM 688 N GLY A 48 -9.710 -2.390 8.057 1.00 0.00 N ATOM 689 CA GLY A 48 -10.265 -2.355 9.399 1.00 0.00 C ATOM 690 C GLY A 48 -11.216 -1.179 9.587 1.00 0.00 C ATOM 691 O GLY A 48 -12.326 -1.376 10.077 1.00 0.00 O ATOM 0 H GLY A 48 -8.959 -1.710 7.938 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.795 -3.287 9.598 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.455 -2.288 10.126 1.00 0.00 H new ATOM 695 N ARG A 49 -10.797 0.034 9.212 1.00 0.00 N ATOM 696 CA ARG A 49 -11.574 1.272 9.326 1.00 0.00 C ATOM 697 C ARG A 49 -11.238 2.140 8.114 1.00 0.00 C ATOM 698 O ARG A 49 -10.187 1.941 7.497 1.00 0.00 O ATOM 699 CB ARG A 49 -11.220 1.975 10.657 1.00 0.00 C ATOM 700 CG ARG A 49 -12.168 3.123 11.053 1.00 0.00 C ATOM 701 CD ARG A 49 -11.646 3.923 12.254 1.00 0.00 C ATOM 702 NE ARG A 49 -12.616 4.962 12.644 1.00 0.00 N ATOM 703 CZ ARG A 49 -12.380 6.159 13.198 1.00 0.00 C ATOM 704 NH1 ARG A 49 -11.158 6.523 13.568 1.00 0.00 N ATOM 705 NH2 ARG A 49 -13.381 7.007 13.391 1.00 0.00 N ATOM 0 H ARG A 49 -9.874 0.186 8.806 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.646 1.077 9.337 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.218 1.232 11.455 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.206 2.368 10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.299 3.792 10.203 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.150 2.714 11.291 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.465 3.252 13.094 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -10.691 4.385 12.003 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.596 4.741 12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.373 5.886 13.433 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -11.004 7.440 13.988 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -14.329 6.748 13.118 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -13.203 7.919 13.813 1.00 0.00 H new ATOM 719 N ILE A 50 -12.075 3.123 7.809 1.00 0.00 N ATOM 720 CA ILE A 50 -11.887 4.128 6.776 1.00 0.00 C ATOM 721 C ILE A 50 -12.227 5.497 7.388 1.00 0.00 C ATOM 722 O ILE A 50 -12.964 5.620 8.370 1.00 0.00 O ATOM 723 CB ILE A 50 -12.718 3.724 5.527 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.956 2.642 4.727 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.069 4.894 4.592 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.820 1.925 3.683 1.00 0.00 C ATOM 0 H ILE A 50 -12.956 3.246 8.308 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.859 4.199 6.422 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.666 3.344 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -11.106 3.105 4.226 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.554 1.904 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.649 4.523 3.747 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.655 5.633 5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.152 5.356 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.218 1.181 3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.656 1.433 4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -13.201 2.651 2.965 1.00 0.00 H new ATOM 738 N ILE A 51 -11.588 6.544 6.879 1.00 0.00 N ATOM 739 CA ILE A 51 -11.855 7.932 7.159 1.00 0.00 C ATOM 740 C ILE A 51 -12.943 8.378 6.183 1.00 0.00 C ATOM 741 O ILE A 51 -12.725 8.393 4.969 1.00 0.00 O ATOM 742 CB ILE A 51 -10.522 8.699 7.036 1.00 0.00 C ATOM 743 CG1 ILE A 51 -9.511 8.329 8.142 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.705 10.209 7.176 1.00 0.00 C ATOM 745 CD1 ILE A 51 -8.922 6.925 8.174 1.00 0.00 C ATOM 0 H ILE A 51 -10.821 6.428 6.217 1.00 0.00 H new ATOM 0 HA ILE A 51 -12.227 8.124 8.165 1.00 0.00 H new ATOM 0 HB ILE A 51 -10.156 8.419 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.680 9.031 8.075 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.998 8.502 9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.738 10.703 7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.374 10.569 6.394 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -11.134 10.435 8.152 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.233 6.839 9.014 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.725 6.196 8.287 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.387 6.734 7.244 1.00 0.00 H new ATOM 757 N ASP A 52 -14.111 8.740 6.718 1.00 0.00 N ATOM 758 CA ASP A 52 -15.203 9.361 5.966 1.00 0.00 C ATOM 759 C ASP A 52 -14.664 10.571 5.215 1.00 0.00 C ATOM 760 O ASP A 52 -13.823 11.303 5.738 1.00 0.00 O ATOM 761 CB ASP A 52 -16.320 9.856 6.897 1.00 0.00 C ATOM 762 CG ASP A 52 -17.196 8.743 7.451 1.00 0.00 C ATOM 763 OD1 ASP A 52 -17.798 7.997 6.652 1.00 0.00 O ATOM 764 OD2 ASP A 52 -17.261 8.613 8.701 1.00 0.00 O ATOM 0 H ASP A 52 -14.328 8.607 7.706 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.607 8.610 5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.873 10.401 7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -16.947 10.562 6.353 1.00 0.00 H new ATOM 769 N GLY A 53 -15.164 10.799 4.003 1.00 0.00 N ATOM 770 CA GLY A 53 -14.833 11.958 3.193 1.00 0.00 C ATOM 771 C GLY A 53 -13.496 11.832 2.470 1.00 0.00 C ATOM 772 O GLY A 53 -13.246 12.630 1.562 1.00 0.00 O ATOM 0 H GLY A 53 -15.824 10.167 3.551 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.622 12.115 2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.811 12.842 3.830 1.00 0.00 H new ATOM 776 N SER A 54 -12.645 10.859 2.817 1.00 0.00 N ATOM 777 CA SER A 54 -11.318 10.751 2.223 1.00 0.00 C ATOM 778 C SER A 54 -11.388 10.424 0.728 1.00 0.00 C ATOM 779 O SER A 54 -12.426 9.973 0.226 1.00 0.00 O ATOM 780 CB SER A 54 -10.501 9.677 2.950 1.00 0.00 C ATOM 781 OG SER A 54 -11.133 8.410 2.914 1.00 0.00 O ATOM 0 H SER A 54 -12.857 10.138 3.507 1.00 0.00 H new ATOM 0 HA SER A 54 -10.830 11.720 2.332 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.514 9.602 2.493 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.350 9.977 3.987 1.00 0.00 H new ATOM 0 HG SER A 54 -11.729 8.320 3.686 1.00 0.00 H new ATOM 787 N PRO A 55 -10.264 10.557 0.002 1.00 0.00 N ATOM 788 CA PRO A 55 -10.151 10.007 -1.341 1.00 0.00 C ATOM 789 C PRO A 55 -10.360 8.488 -1.359 1.00 0.00 C ATOM 790 O PRO A 55 -10.813 7.962 -2.369 1.00 0.00 O ATOM 791 CB PRO A 55 -8.759 10.409 -1.843 1.00 0.00 C ATOM 792 CG PRO A 55 -7.983 10.855 -0.602 1.00 0.00 C ATOM 793 CD PRO A 55 -9.066 11.292 0.384 1.00 0.00 C ATOM 0 HA PRO A 55 -10.929 10.400 -1.995 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.263 9.572 -2.335 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.824 11.215 -2.574 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.380 10.042 -0.196 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.301 11.673 -0.832 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.777 11.064 1.410 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.233 12.368 0.331 1.00 0.00 H new ATOM 801 N ALA A 56 -10.029 7.780 -0.269 1.00 0.00 N ATOM 802 CA ALA A 56 -10.227 6.342 -0.162 1.00 0.00 C ATOM 803 C ALA A 56 -11.723 6.016 -0.204 1.00 0.00 C ATOM 804 O ALA A 56 -12.157 5.272 -1.081 1.00 0.00 O ATOM 805 CB ALA A 56 -9.525 5.831 1.101 1.00 0.00 C ATOM 0 H ALA A 56 -9.615 8.199 0.563 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.778 5.824 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.670 4.754 1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.459 6.050 1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.946 6.325 1.977 1.00 0.00 H new ATOM 811 N ASP A 57 -12.502 6.601 0.712 1.00 0.00 N ATOM 812 CA ASP A 57 -13.937 6.337 0.825 1.00 0.00 C ATOM 813 C ASP A 57 -14.683 6.827 -0.418 1.00 0.00 C ATOM 814 O ASP A 57 -15.400 6.053 -1.048 1.00 0.00 O ATOM 815 CB ASP A 57 -14.502 6.984 2.094 1.00 0.00 C ATOM 816 CG ASP A 57 -15.896 6.446 2.432 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.046 5.229 2.698 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.842 7.269 2.474 1.00 0.00 O ATOM 0 H ASP A 57 -12.153 7.272 1.396 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.082 5.259 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.827 6.797 2.929 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.552 8.065 1.960 1.00 0.00 H new ATOM 823 N ARG A 58 -14.479 8.091 -0.826 1.00 0.00 N ATOM 824 CA ARG A 58 -15.192 8.677 -1.970 1.00 0.00 C ATOM 825 C ARG A 58 -14.845 8.013 -3.306 1.00 0.00 C ATOM 826 O ARG A 58 -15.505 8.309 -4.304 1.00 0.00 O ATOM 827 CB ARG A 58 -14.999 10.208 -2.054 1.00 0.00 C ATOM 828 CG ARG A 58 -15.640 10.965 -0.874 1.00 0.00 C ATOM 829 CD ARG A 58 -15.613 12.495 -1.076 1.00 0.00 C ATOM 830 NE ARG A 58 -16.934 13.057 -1.416 1.00 0.00 N ATOM 831 CZ ARG A 58 -17.292 14.345 -1.289 1.00 0.00 C ATOM 832 NH1 ARG A 58 -16.421 15.295 -0.988 1.00 0.00 N ATOM 833 NH2 ARG A 58 -18.540 14.710 -1.509 1.00 0.00 N ATOM 0 H ARG A 58 -13.822 8.728 -0.376 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.247 8.477 -1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.933 10.432 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.429 10.572 -2.987 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.672 10.635 -0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.113 10.713 0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.246 12.969 -0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -14.906 12.738 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 58 -17.636 12.412 -1.779 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.439 15.060 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.732 16.263 -0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.236 14.013 -1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.810 15.689 -1.412 1.00 0.00 H new ATOM 847 N CYS A 59 -13.837 7.137 -3.372 1.00 0.00 N ATOM 848 CA CYS A 59 -13.560 6.343 -4.564 1.00 0.00 C ATOM 849 C CYS A 59 -14.527 5.163 -4.742 1.00 0.00 C ATOM 850 O CYS A 59 -14.500 4.572 -5.823 1.00 0.00 O ATOM 851 CB CYS A 59 -12.102 5.862 -4.550 1.00 0.00 C ATOM 852 SG CYS A 59 -11.102 6.912 -5.647 1.00 0.00 S ATOM 0 H CYS A 59 -13.194 6.962 -2.600 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.718 6.994 -5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.706 5.899 -3.535 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.048 4.823 -4.876 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.503 7.827 -4.944 1.00 0.00 H new ATOM 858 N ALA A 60 -15.376 4.850 -3.750 1.00 0.00 N ATOM 859 CA ALA A 60 -16.482 3.895 -3.836 1.00 0.00 C ATOM 860 C ALA A 60 -16.073 2.513 -4.373 1.00 0.00 C ATOM 861 O ALA A 60 -16.811 1.913 -5.162 1.00 0.00 O ATOM 862 CB ALA A 60 -17.635 4.536 -4.627 1.00 0.00 C ATOM 0 H ALA A 60 -15.303 5.277 -2.827 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.824 3.680 -2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.464 3.832 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -17.968 5.440 -4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.291 4.791 -5.629 1.00 0.00 H new ATOM 868 N LYS A 61 -14.893 2.021 -3.970 1.00 0.00 N ATOM 869 CA LYS A 61 -14.370 0.700 -4.332 1.00 0.00 C ATOM 870 C LYS A 61 -13.638 -0.002 -3.178 1.00 0.00 C ATOM 871 O LYS A 61 -12.935 -0.987 -3.414 1.00 0.00 O ATOM 872 CB LYS A 61 -13.509 0.791 -5.604 1.00 0.00 C ATOM 873 CG LYS A 61 -14.388 0.873 -6.862 1.00 0.00 C ATOM 874 CD LYS A 61 -13.717 0.178 -8.044 1.00 0.00 C ATOM 875 CE LYS A 61 -12.472 0.877 -8.582 1.00 0.00 C ATOM 876 NZ LYS A 61 -12.810 2.147 -9.247 1.00 0.00 N ATOM 0 H LYS A 61 -14.260 2.547 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.228 0.064 -4.549 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.865 1.669 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -12.857 -0.080 -5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.355 0.411 -6.665 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.578 1.917 -7.110 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -13.446 -0.834 -7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.442 0.088 -8.852 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.778 1.067 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.961 0.221 -9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.950 2.562 -9.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -13.505 1.970 -10.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -13.213 2.807 -8.551 1.00 0.00 H new ATOM 890 N LEU A 62 -13.766 0.471 -1.939 1.00 0.00 N ATOM 891 CA LEU A 62 -13.183 -0.189 -0.775 1.00 0.00 C ATOM 892 C LEU A 62 -14.110 -0.037 0.419 1.00 0.00 C ATOM 893 O LEU A 62 -14.429 1.080 0.845 1.00 0.00 O ATOM 894 CB LEU A 62 -11.808 0.391 -0.409 1.00 0.00 C ATOM 895 CG LEU A 62 -10.598 -0.379 -0.953 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.345 0.366 -0.492 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.505 -1.822 -0.445 1.00 0.00 C ATOM 0 H LEU A 62 -14.278 1.324 -1.715 1.00 0.00 H new ATOM 0 HA LEU A 62 -13.053 -1.240 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.757 1.417 -0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.730 0.435 0.677 1.00 0.00 H new ATOM 0 HG LEU A 62 -10.698 -0.431 -2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.458 -0.151 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.361 1.383 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -9.321 0.398 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.625 -2.302 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.426 -1.821 0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -11.398 -2.371 -0.743 1.00 0.00 H new ATOM 909 N LYS A 63 -14.426 -1.169 1.036 1.00 0.00 N ATOM 910 CA LYS A 63 -15.219 -1.251 2.251 1.00 0.00 C ATOM 911 C LYS A 63 -14.361 -1.825 3.355 1.00 0.00 C ATOM 912 O LYS A 63 -13.346 -2.489 3.132 1.00 0.00 O ATOM 913 CB LYS A 63 -16.433 -2.157 2.059 1.00 0.00 C ATOM 914 CG LYS A 63 -17.355 -1.708 0.930 1.00 0.00 C ATOM 915 CD LYS A 63 -18.496 -0.750 1.277 1.00 0.00 C ATOM 916 CE LYS A 63 -18.047 0.714 1.277 1.00 0.00 C ATOM 917 NZ LYS A 63 -19.206 1.628 1.285 1.00 0.00 N ATOM 0 H LYS A 63 -14.127 -2.082 0.692 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.567 -0.249 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.091 -3.172 1.856 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -17.001 -2.192 2.989 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.741 -1.233 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.792 -2.600 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -19.306 -0.879 0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.896 -1.005 2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.423 0.906 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -17.433 0.909 0.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.872 2.613 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.787 1.459 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.777 1.457 2.137 1.00 0.00 H new ATOM 931 N VAL A 64 -14.846 -1.665 4.571 1.00 0.00 N ATOM 932 CA VAL A 64 -14.350 -2.453 5.688 1.00 0.00 C ATOM 933 C VAL A 64 -14.730 -3.918 5.437 1.00 0.00 C ATOM 934 O VAL A 64 -15.863 -4.223 5.048 1.00 0.00 O ATOM 935 CB VAL A 64 -14.865 -1.866 7.014 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.669 -2.822 8.196 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.096 -0.570 7.315 1.00 0.00 C ATOM 0 H VAL A 64 -15.580 -1.000 4.813 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.264 -2.416 5.770 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.934 -1.686 6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -15.049 -2.358 9.106 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.210 -3.749 8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.608 -3.039 8.316 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.453 -0.145 8.253 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.032 -0.789 7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.258 0.145 6.508 1.00 0.00 H new ATOM 947 N GLY A 65 -13.767 -4.827 5.633 1.00 0.00 N ATOM 948 CA GLY A 65 -13.913 -6.255 5.408 1.00 0.00 C ATOM 949 C GLY A 65 -13.094 -6.686 4.198 1.00 0.00 C ATOM 950 O GLY A 65 -12.806 -7.878 4.057 1.00 0.00 O ATOM 0 H GLY A 65 -12.837 -4.571 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.587 -6.804 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.963 -6.500 5.251 1.00 0.00 H new ATOM 954 N ASP A 66 -12.692 -5.737 3.352 1.00 0.00 N ATOM 955 CA ASP A 66 -11.982 -6.008 2.116 1.00 0.00 C ATOM 956 C ASP A 66 -10.562 -6.451 2.444 1.00 0.00 C ATOM 957 O ASP A 66 -9.681 -5.661 2.781 1.00 0.00 O ATOM 958 CB ASP A 66 -12.048 -4.824 1.137 1.00 0.00 C ATOM 959 CG ASP A 66 -13.441 -4.632 0.515 1.00 0.00 C ATOM 960 OD1 ASP A 66 -14.326 -5.505 0.710 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.640 -3.601 -0.164 1.00 0.00 O ATOM 0 H ASP A 66 -12.857 -4.744 3.515 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.473 -6.825 1.588 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.761 -3.912 1.660 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.319 -4.977 0.341 1.00 0.00 H new ATOM 966 N ARG A 67 -10.384 -7.768 2.457 1.00 0.00 N ATOM 967 CA ARG A 67 -9.094 -8.463 2.466 1.00 0.00 C ATOM 968 C ARG A 67 -8.219 -8.012 1.283 1.00 0.00 C ATOM 969 O ARG A 67 -8.740 -7.695 0.212 1.00 0.00 O ATOM 970 CB ARG A 67 -9.312 -9.983 2.431 1.00 0.00 C ATOM 971 CG ARG A 67 -10.197 -10.537 3.561 1.00 0.00 C ATOM 972 CD ARG A 67 -10.024 -12.065 3.671 1.00 0.00 C ATOM 973 NE ARG A 67 -10.974 -12.700 4.602 1.00 0.00 N ATOM 974 CZ ARG A 67 -12.290 -12.861 4.417 1.00 0.00 C ATOM 975 NH1 ARG A 67 -12.860 -12.457 3.282 1.00 0.00 N ATOM 976 NH2 ARG A 67 -13.038 -13.426 5.357 1.00 0.00 N ATOM 0 H ARG A 67 -11.173 -8.415 2.462 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.570 -8.206 3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.761 -10.249 1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.341 -10.476 2.475 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.931 -10.064 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.242 -10.295 3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.145 -12.508 2.683 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.007 -12.285 3.996 1.00 0.00 H new ATOM 0 HE ARG A 67 -10.589 -13.053 5.478 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.293 -12.024 2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.863 -12.581 3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.611 -13.741 6.228 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -14.040 -13.545 5.208 1.00 0.00 H new ATOM 990 N ILE A 68 -6.898 -8.008 1.475 1.00 0.00 N ATOM 991 CA ILE A 68 -5.884 -7.377 0.623 1.00 0.00 C ATOM 992 C ILE A 68 -4.901 -8.493 0.197 1.00 0.00 C ATOM 993 O ILE A 68 -4.700 -9.443 0.958 1.00 0.00 O ATOM 994 CB ILE A 68 -5.253 -6.240 1.485 1.00 0.00 C ATOM 995 CG1 ILE A 68 -6.293 -5.136 1.816 1.00 0.00 C ATOM 996 CG2 ILE A 68 -3.997 -5.540 0.935 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.828 -4.140 2.886 1.00 0.00 C ATOM 0 H ILE A 68 -6.480 -8.474 2.280 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.257 -6.924 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.926 -6.793 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.529 -4.589 0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.216 -5.610 2.152 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.670 -4.774 1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.201 -6.273 0.801 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.229 -5.077 -0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.610 -3.401 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.620 -4.673 3.814 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.923 -3.637 2.546 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.301 -8.422 -1.005 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.336 -9.417 -1.514 1.00 0.00 C ATOM 1011 C LEU A 69 -2.003 -8.826 -1.978 1.00 0.00 C ATOM 1012 O LEU A 69 -0.962 -9.459 -1.795 1.00 0.00 O ATOM 1013 CB LEU A 69 -3.900 -10.189 -2.713 1.00 0.00 C ATOM 1014 CG LEU A 69 -5.027 -11.190 -2.423 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -5.328 -11.983 -3.699 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.686 -12.182 -1.307 1.00 0.00 C ATOM 0 H LEU A 69 -4.475 -7.661 -1.661 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.162 -10.064 -0.654 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.267 -9.465 -3.441 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.080 -10.729 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.888 -10.609 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.128 -12.697 -3.503 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.638 -11.298 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.432 -12.518 -4.014 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.526 -12.860 -1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.803 -12.756 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.487 -11.637 -0.384 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.016 -7.646 -2.601 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.820 -6.947 -3.077 1.00 0.00 C ATOM 1030 C ALA A 70 -1.024 -5.437 -3.008 1.00 0.00 C ATOM 1031 O ALA A 70 -2.163 -4.967 -3.011 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.490 -7.353 -4.520 1.00 0.00 C ATOM 0 H ALA A 70 -2.879 -7.137 -2.793 1.00 0.00 H new ATOM 0 HA ALA A 70 0.012 -7.228 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.402 -6.822 -4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.310 -8.427 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.327 -7.099 -5.170 1.00 0.00 H new ATOM 1038 N VAL A 71 0.070 -4.681 -2.999 1.00 0.00 N ATOM 1039 CA VAL A 71 0.088 -3.231 -2.853 1.00 0.00 C ATOM 1040 C VAL A 71 0.980 -2.708 -3.967 1.00 0.00 C ATOM 1041 O VAL A 71 2.152 -3.076 -4.036 1.00 0.00 O ATOM 1042 CB VAL A 71 0.577 -2.863 -1.439 1.00 0.00 C ATOM 1043 CG1 VAL A 71 0.726 -1.350 -1.254 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -0.401 -3.373 -0.366 1.00 0.00 C ATOM 0 H VAL A 71 1.004 -5.078 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.898 -2.776 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 71 1.551 -3.339 -1.326 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.073 -1.140 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.449 -0.965 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.238 -0.867 -1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.032 -3.100 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.381 -2.924 -0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.484 -4.458 -0.435 1.00 0.00 H new ATOM 1054 N ASN A 72 0.400 -1.901 -4.860 1.00 0.00 N ATOM 1055 CA ASN A 72 0.901 -1.481 -6.169 1.00 0.00 C ATOM 1056 C ASN A 72 1.048 -2.689 -7.082 1.00 0.00 C ATOM 1057 O ASN A 72 0.273 -2.842 -8.025 1.00 0.00 O ATOM 1058 CB ASN A 72 2.159 -0.611 -6.060 1.00 0.00 C ATOM 1059 CG ASN A 72 1.853 0.645 -5.266 1.00 0.00 C ATOM 1060 OD1 ASN A 72 0.885 1.341 -5.549 1.00 0.00 O ATOM 1061 ND2 ASN A 72 2.599 0.902 -4.205 1.00 0.00 N ATOM 0 H ASN A 72 -0.513 -1.489 -4.667 1.00 0.00 H new ATOM 0 HA ASN A 72 0.167 -0.825 -6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.958 -1.172 -5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 72 2.514 -0.345 -7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.373 1.693 -3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 72 3.400 0.309 -3.989 1.00 0.00 H new ATOM 1068 N GLY A 73 1.953 -3.598 -6.743 1.00 0.00 N ATOM 1069 CA GLY A 73 2.036 -4.954 -7.262 1.00 0.00 C ATOM 1070 C GLY A 73 2.827 -5.876 -6.329 1.00 0.00 C ATOM 1071 O GLY A 73 2.908 -7.071 -6.604 1.00 0.00 O ATOM 0 H GLY A 73 2.686 -3.397 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.031 -5.352 -7.399 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.509 -4.938 -8.244 1.00 0.00 H new ATOM 1075 N GLN A 74 3.377 -5.384 -5.213 1.00 0.00 N ATOM 1076 CA GLN A 74 4.211 -6.197 -4.345 1.00 0.00 C ATOM 1077 C GLN A 74 3.289 -7.132 -3.587 1.00 0.00 C ATOM 1078 O GLN A 74 2.322 -6.688 -2.964 1.00 0.00 O ATOM 1079 CB GLN A 74 5.028 -5.333 -3.367 1.00 0.00 C ATOM 1080 CG GLN A 74 6.017 -4.394 -4.073 1.00 0.00 C ATOM 1081 CD GLN A 74 6.869 -5.133 -5.100 1.00 0.00 C ATOM 1082 OE1 GLN A 74 6.556 -5.153 -6.283 1.00 0.00 O ATOM 1083 NE2 GLN A 74 7.919 -5.815 -4.684 1.00 0.00 N ATOM 0 H GLN A 74 3.254 -4.422 -4.896 1.00 0.00 H new ATOM 0 HA GLN A 74 4.933 -6.756 -4.941 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.345 -4.740 -2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.577 -5.985 -2.688 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.467 -3.593 -4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.666 -3.926 -3.332 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.180 -5.798 -3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.470 -6.359 -5.348 1.00 0.00 H new ATOM 1092 N SER A 75 3.559 -8.427 -3.691 1.00 0.00 N ATOM 1093 CA SER A 75 2.829 -9.453 -2.983 1.00 0.00 C ATOM 1094 C SER A 75 3.138 -9.319 -1.490 1.00 0.00 C ATOM 1095 O SER A 75 4.215 -9.691 -1.021 1.00 0.00 O ATOM 1096 CB SER A 75 3.151 -10.823 -3.591 1.00 0.00 C ATOM 1097 OG SER A 75 4.533 -11.133 -3.615 1.00 0.00 O ATOM 0 H SER A 75 4.306 -8.793 -4.282 1.00 0.00 H new ATOM 0 HA SER A 75 1.750 -9.340 -3.087 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.626 -11.593 -3.025 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.764 -10.857 -4.609 1.00 0.00 H new ATOM 0 HG SER A 75 4.956 -10.806 -2.794 1.00 0.00 H new ATOM 1103 N ILE A 76 2.196 -8.766 -0.728 1.00 0.00 N ATOM 1104 CA ILE A 76 2.347 -8.508 0.707 1.00 0.00 C ATOM 1105 C ILE A 76 2.260 -9.793 1.555 1.00 0.00 C ATOM 1106 O ILE A 76 2.215 -9.739 2.784 1.00 0.00 O ATOM 1107 CB ILE A 76 1.396 -7.371 1.146 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.110 -7.590 0.923 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.718 -6.102 0.364 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -0.757 -8.295 2.087 1.00 0.00 C ATOM 0 H ILE A 76 1.289 -8.479 -1.095 1.00 0.00 H new ATOM 0 HA ILE A 76 3.359 -8.150 0.897 1.00 0.00 H new ATOM 0 HB ILE A 76 1.570 -7.319 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.597 -6.627 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.261 -8.175 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.046 -5.302 0.676 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.749 -5.806 0.559 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.590 -6.289 -0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.820 -8.429 1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.289 -9.269 2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.631 -7.698 2.990 1.00 0.00 H new ATOM 1122 N ILE A 77 2.270 -10.954 0.892 1.00 0.00 N ATOM 1123 CA ILE A 77 2.214 -12.311 1.419 1.00 0.00 C ATOM 1124 C ILE A 77 3.199 -12.454 2.581 1.00 0.00 C ATOM 1125 O ILE A 77 2.794 -12.846 3.679 1.00 0.00 O ATOM 1126 CB ILE A 77 2.491 -13.320 0.284 1.00 0.00 C ATOM 1127 CG1 ILE A 77 1.439 -13.145 -0.837 1.00 0.00 C ATOM 1128 CG2 ILE A 77 2.488 -14.776 0.796 1.00 0.00 C ATOM 1129 CD1 ILE A 77 1.796 -13.960 -2.072 1.00 0.00 C ATOM 0 H ILE A 77 2.323 -10.961 -0.127 1.00 0.00 H new ATOM 0 HA ILE A 77 1.219 -12.524 1.809 1.00 0.00 H new ATOM 0 HB ILE A 77 3.486 -13.116 -0.112 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.460 -13.451 -0.469 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.364 -12.091 -1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.687 -15.454 -0.034 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.260 -14.896 1.556 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.515 -15.008 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.035 -13.812 -2.838 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.764 -13.636 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.846 -15.017 -1.809 1.00 0.00 H new ATOM 1141 N ASN A 78 4.472 -12.141 2.326 1.00 0.00 N ATOM 1142 CA ASN A 78 5.577 -12.312 3.266 1.00 0.00 C ATOM 1143 C ASN A 78 6.069 -10.965 3.779 1.00 0.00 C ATOM 1144 O ASN A 78 6.578 -10.897 4.896 1.00 0.00 O ATOM 1145 CB ASN A 78 6.771 -12.998 2.587 1.00 0.00 C ATOM 1146 CG ASN A 78 6.475 -14.375 2.030 1.00 0.00 C ATOM 1147 OD1 ASN A 78 5.759 -14.503 1.040 1.00 0.00 O ATOM 1148 ND2 ASN A 78 7.028 -15.423 2.606 1.00 0.00 N ATOM 0 H ASN A 78 4.769 -11.750 1.432 1.00 0.00 H new ATOM 0 HA ASN A 78 5.199 -12.921 4.088 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.126 -12.361 1.777 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.584 -13.079 3.308 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.864 -16.357 2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.620 -15.300 3.427 1.00 0.00 H new ATOM 1155 N MET A 79 5.960 -9.917 2.954 1.00 0.00 N ATOM 1156 CA MET A 79 6.521 -8.600 3.136 1.00 0.00 C ATOM 1157 C MET A 79 6.185 -8.075 4.540 1.00 0.00 C ATOM 1158 O MET A 79 5.037 -8.214 4.981 1.00 0.00 O ATOM 1159 CB MET A 79 5.931 -7.750 2.005 1.00 0.00 C ATOM 1160 CG MET A 79 6.715 -6.490 1.724 1.00 0.00 C ATOM 1161 SD MET A 79 5.941 -5.469 0.437 1.00 0.00 S ATOM 1162 CE MET A 79 7.249 -4.250 0.146 1.00 0.00 C ATOM 0 H MET A 79 5.436 -9.987 2.082 1.00 0.00 H new ATOM 0 HA MET A 79 7.609 -8.582 3.081 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.886 -8.350 1.096 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.906 -7.481 2.261 1.00 0.00 H new ATOM 0 HG2 MET A 79 6.804 -5.908 2.641 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.726 -6.755 1.415 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.100 -3.782 -0.827 1.00 0.00 H new ATOM 0 HE2 MET A 79 7.215 -3.487 0.924 1.00 0.00 H new ATOM 0 HE3 MET A 79 8.219 -4.746 0.166 1.00 0.00 H new ATOM 1172 N PRO A 80 7.159 -7.536 5.291 1.00 0.00 N ATOM 1173 CA PRO A 80 6.913 -7.114 6.657 1.00 0.00 C ATOM 1174 C PRO A 80 6.081 -5.831 6.633 1.00 0.00 C ATOM 1175 O PRO A 80 6.262 -4.998 5.746 1.00 0.00 O ATOM 1176 CB PRO A 80 8.292 -6.939 7.288 1.00 0.00 C ATOM 1177 CG PRO A 80 9.204 -6.617 6.106 1.00 0.00 C ATOM 1178 CD PRO A 80 8.526 -7.256 4.893 1.00 0.00 C ATOM 0 HA PRO A 80 6.341 -7.831 7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.295 -6.135 8.024 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.612 -7.844 7.804 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.314 -5.541 5.975 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.204 -7.023 6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.551 -6.584 4.035 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.040 -8.171 4.597 1.00 0.00 H new ATOM 1186 N HIS A 81 5.165 -5.663 7.590 1.00 0.00 N ATOM 1187 CA HIS A 81 4.162 -4.592 7.580 1.00 0.00 C ATOM 1188 C HIS A 81 4.795 -3.205 7.459 1.00 0.00 C ATOM 1189 O HIS A 81 4.250 -2.352 6.767 1.00 0.00 O ATOM 1190 CB HIS A 81 3.273 -4.734 8.815 1.00 0.00 C ATOM 1191 CG HIS A 81 2.276 -3.624 9.052 1.00 0.00 C ATOM 1192 ND1 HIS A 81 0.946 -3.621 8.691 1.00 0.00 N ATOM 1193 CD2 HIS A 81 2.495 -2.519 9.831 1.00 0.00 C ATOM 1194 CE1 HIS A 81 0.379 -2.530 9.234 1.00 0.00 C ATOM 1195 NE2 HIS A 81 1.278 -1.842 9.961 1.00 0.00 N ATOM 0 H HIS A 81 5.097 -6.274 8.404 1.00 0.00 H new ATOM 0 HA HIS A 81 3.539 -4.694 6.691 1.00 0.00 H new ATOM 0 HB2 HIS A 81 2.727 -5.674 8.737 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.915 -4.810 9.692 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.438 -2.223 10.267 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.655 -2.245 9.105 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.106 -0.994 10.501 1.00 0.00 H new ATOM 1203 N ALA A 82 5.960 -2.981 8.069 1.00 0.00 N ATOM 1204 CA ALA A 82 6.703 -1.738 7.918 1.00 0.00 C ATOM 1205 C ALA A 82 7.017 -1.427 6.453 1.00 0.00 C ATOM 1206 O ALA A 82 6.953 -0.263 6.048 1.00 0.00 O ATOM 1207 CB ALA A 82 7.989 -1.850 8.746 1.00 0.00 C ATOM 0 H ALA A 82 6.412 -3.660 8.682 1.00 0.00 H new ATOM 0 HA ALA A 82 6.092 -0.910 8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.565 -0.930 8.650 1.00 0.00 H new ATOM 0 HB2 ALA A 82 7.734 -2.011 9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.583 -2.689 8.384 1.00 0.00 H new ATOM 1213 N ASP A 83 7.372 -2.436 5.666 1.00 0.00 N ATOM 1214 CA ASP A 83 7.770 -2.274 4.275 1.00 0.00 C ATOM 1215 C ASP A 83 6.552 -1.864 3.446 1.00 0.00 C ATOM 1216 O ASP A 83 6.637 -0.852 2.756 1.00 0.00 O ATOM 1217 CB ASP A 83 8.446 -3.555 3.765 1.00 0.00 C ATOM 1218 CG ASP A 83 9.500 -3.344 2.678 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.018 -2.218 2.525 1.00 0.00 O ATOM 1220 OD2 ASP A 83 9.911 -4.345 2.048 1.00 0.00 O ATOM 0 H ASP A 83 7.391 -3.405 5.983 1.00 0.00 H new ATOM 0 HA ASP A 83 8.509 -1.479 4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.914 -4.061 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.677 -4.224 3.379 1.00 0.00 H new ATOM 1225 N ILE A 84 5.404 -2.554 3.590 1.00 0.00 N ATOM 1226 CA ILE A 84 4.091 -2.156 3.050 1.00 0.00 C ATOM 1227 C ILE A 84 3.750 -0.715 3.454 1.00 0.00 C ATOM 1228 O ILE A 84 3.313 0.078 2.619 1.00 0.00 O ATOM 1229 CB ILE A 84 2.977 -3.111 3.563 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.066 -4.518 2.946 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.557 -2.577 3.286 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.725 -5.552 3.841 1.00 0.00 C ATOM 0 H ILE A 84 5.365 -3.434 4.104 1.00 0.00 H new ATOM 0 HA ILE A 84 4.146 -2.218 1.963 1.00 0.00 H new ATOM 0 HB ILE A 84 3.150 -3.166 4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.060 -4.857 2.698 1.00 0.00 H new ATOM 0 HG13 ILE A 84 3.622 -4.457 2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.821 -3.286 3.666 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.426 -1.616 3.784 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.419 -2.451 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.747 -6.515 3.330 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.744 -5.239 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.158 -5.646 4.767 1.00 0.00 H new ATOM 1244 N VAL A 85 3.871 -0.375 4.736 1.00 0.00 N ATOM 1245 CA VAL A 85 3.512 0.941 5.245 1.00 0.00 C ATOM 1246 C VAL A 85 4.325 2.012 4.525 1.00 0.00 C ATOM 1247 O VAL A 85 3.770 3.030 4.102 1.00 0.00 O ATOM 1248 CB VAL A 85 3.646 0.930 6.777 1.00 0.00 C ATOM 1249 CG1 VAL A 85 3.889 2.301 7.415 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.407 0.282 7.407 1.00 0.00 C ATOM 0 H VAL A 85 4.223 -1.010 5.452 1.00 0.00 H new ATOM 0 HA VAL A 85 2.472 1.192 5.036 1.00 0.00 H new ATOM 0 HB VAL A 85 4.543 0.346 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.970 2.190 8.496 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.814 2.726 7.024 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.057 2.965 7.179 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.510 0.278 8.492 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.519 0.849 7.129 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.310 -0.743 7.048 1.00 0.00 H new ATOM 1260 N LYS A 86 5.631 1.795 4.358 1.00 0.00 N ATOM 1261 CA LYS A 86 6.445 2.701 3.561 1.00 0.00 C ATOM 1262 C LYS A 86 6.024 2.698 2.095 1.00 0.00 C ATOM 1263 O LYS A 86 5.878 3.777 1.538 1.00 0.00 O ATOM 1264 CB LYS A 86 7.925 2.361 3.741 1.00 0.00 C ATOM 1265 CG LYS A 86 8.779 3.633 3.774 1.00 0.00 C ATOM 1266 CD LYS A 86 10.173 3.283 4.295 1.00 0.00 C ATOM 1267 CE LYS A 86 10.934 4.543 4.687 1.00 0.00 C ATOM 1268 NZ LYS A 86 12.206 4.212 5.357 1.00 0.00 N ATOM 0 H LYS A 86 6.139 1.008 4.761 1.00 0.00 H new ATOM 0 HA LYS A 86 6.286 3.719 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.064 1.801 4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.256 1.717 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.848 4.066 2.776 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.314 4.382 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.089 2.620 5.156 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.727 2.741 3.529 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.133 5.142 3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.318 5.151 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.702 5.089 5.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.012 3.661 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.802 3.652 4.714 1.00 0.00 H new ATOM 1282 N LEU A 87 5.760 1.529 1.509 1.00 0.00 N ATOM 1283 CA LEU A 87 5.311 1.318 0.139 1.00 0.00 C ATOM 1284 C LEU A 87 4.118 2.197 -0.213 1.00 0.00 C ATOM 1285 O LEU A 87 4.061 2.736 -1.310 1.00 0.00 O ATOM 1286 CB LEU A 87 4.902 -0.166 0.020 1.00 0.00 C ATOM 1287 CG LEU A 87 5.558 -1.073 -1.015 1.00 0.00 C ATOM 1288 CD1 LEU A 87 4.742 -1.062 -2.298 1.00 0.00 C ATOM 1289 CD2 LEU A 87 7.043 -0.814 -1.260 1.00 0.00 C ATOM 0 H LEU A 87 5.862 0.649 2.015 1.00 0.00 H new ATOM 0 HA LEU A 87 6.116 1.578 -0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.065 -0.623 0.996 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.829 -0.189 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 87 5.551 -2.077 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.214 -1.711 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.734 -1.421 -2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.692 -0.046 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.415 -1.510 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.181 0.208 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.595 -0.955 -0.331 1.00 0.00 H new ATOM 1301 N ILE A 88 3.147 2.319 0.694 1.00 0.00 N ATOM 1302 CA ILE A 88 1.927 3.084 0.473 1.00 0.00 C ATOM 1303 C ILE A 88 2.264 4.568 0.574 1.00 0.00 C ATOM 1304 O ILE A 88 1.839 5.353 -0.269 1.00 0.00 O ATOM 1305 CB ILE A 88 0.869 2.643 1.503 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.454 1.182 1.218 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.371 3.553 1.494 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.308 0.504 2.356 1.00 0.00 C ATOM 0 H ILE A 88 3.190 1.881 1.614 1.00 0.00 H new ATOM 0 HA ILE A 88 1.511 2.903 -0.518 1.00 0.00 H new ATOM 0 HB ILE A 88 1.317 2.721 2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.165 1.162 0.321 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.349 0.600 1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.086 3.200 2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.074 4.574 1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.832 3.530 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.558 -0.517 2.068 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.314 0.487 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.224 1.058 2.561 1.00 0.00 H new ATOM 1320 N LYS A 89 3.018 4.962 1.604 1.00 0.00 N ATOM 1321 CA LYS A 89 3.416 6.352 1.797 1.00 0.00 C ATOM 1322 C LYS A 89 4.239 6.863 0.606 1.00 0.00 C ATOM 1323 O LYS A 89 4.135 8.035 0.246 1.00 0.00 O ATOM 1324 CB LYS A 89 4.194 6.437 3.115 1.00 0.00 C ATOM 1325 CG LYS A 89 4.240 7.870 3.644 1.00 0.00 C ATOM 1326 CD LYS A 89 5.080 7.936 4.919 1.00 0.00 C ATOM 1327 CE LYS A 89 5.063 9.355 5.486 1.00 0.00 C ATOM 1328 NZ LYS A 89 6.351 9.745 6.091 1.00 0.00 N ATOM 0 H LYS A 89 3.366 4.327 2.322 1.00 0.00 H new ATOM 0 HA LYS A 89 2.538 6.995 1.852 1.00 0.00 H new ATOM 0 HB2 LYS A 89 3.728 5.789 3.857 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.209 6.070 2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.662 8.531 2.887 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.229 8.223 3.847 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.689 7.236 5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.105 7.634 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.814 10.056 4.690 1.00 0.00 H new ATOM 0 HE3 LYS A 89 4.276 9.432 6.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.282 10.715 6.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.580 9.095 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.100 9.700 5.371 1.00 0.00 H new ATOM 1342 N ASP A 90 5.056 5.986 0.025 1.00 0.00 N ATOM 1343 CA ASP A 90 5.928 6.210 -1.123 1.00 0.00 C ATOM 1344 C ASP A 90 5.197 6.052 -2.457 1.00 0.00 C ATOM 1345 O ASP A 90 5.738 6.441 -3.484 1.00 0.00 O ATOM 1346 CB ASP A 90 7.071 5.188 -1.050 1.00 0.00 C ATOM 1347 CG ASP A 90 8.158 5.390 -2.111 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.609 6.542 -2.317 1.00 0.00 O ATOM 1349 OD2 ASP A 90 8.636 4.361 -2.633 1.00 0.00 O ATOM 0 H ASP A 90 5.130 5.030 0.372 1.00 0.00 H new ATOM 0 HA ASP A 90 6.296 7.235 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.528 5.240 -0.062 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.656 4.186 -1.157 1.00 0.00 H new ATOM 1354 N ALA A 91 3.966 5.519 -2.476 1.00 0.00 N ATOM 1355 CA ALA A 91 3.294 5.149 -3.724 1.00 0.00 C ATOM 1356 C ALA A 91 2.997 6.335 -4.659 1.00 0.00 C ATOM 1357 O ALA A 91 2.686 6.123 -5.835 1.00 0.00 O ATOM 1358 CB ALA A 91 2.011 4.385 -3.406 1.00 0.00 C ATOM 0 H ALA A 91 3.417 5.335 -1.636 1.00 0.00 H new ATOM 0 HA ALA A 91 3.991 4.515 -4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.512 4.110 -4.335 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.254 3.483 -2.844 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.350 5.016 -2.812 1.00 0.00 H new ATOM 1364 N GLY A 92 3.152 7.574 -4.183 1.00 0.00 N ATOM 1365 CA GLY A 92 3.175 8.765 -5.019 1.00 0.00 C ATOM 1366 C GLY A 92 1.765 9.202 -5.378 1.00 0.00 C ATOM 1367 O GLY A 92 1.418 9.245 -6.556 1.00 0.00 O ATOM 0 H GLY A 92 3.266 7.775 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.688 9.572 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.741 8.565 -5.929 1.00 0.00 H new ATOM 1371 N LEU A 93 0.965 9.543 -4.362 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.435 10.009 -4.399 1.00 0.00 C ATOM 1373 C LEU A 93 -1.432 8.953 -4.817 1.00 0.00 C ATOM 1374 O LEU A 93 -2.521 8.884 -4.252 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.674 11.217 -5.315 1.00 0.00 C ATOM 1376 CG LEU A 93 0.208 12.397 -4.961 1.00 0.00 C ATOM 1377 CD1 LEU A 93 -0.018 13.580 -5.902 1.00 0.00 C ATOM 1378 CD2 LEU A 93 -0.007 12.835 -3.504 1.00 0.00 C ATOM 0 H LEU A 93 1.308 9.497 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.598 10.288 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.489 10.927 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.720 11.517 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 93 1.239 12.065 -5.078 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.634 14.404 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.209 13.280 -6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.058 13.901 -5.840 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.640 13.683 -3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.048 13.124 -3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.235 12.008 -2.836 1.00 0.00 H new ATOM 1390 N SER A 94 -1.063 8.146 -5.787 1.00 0.00 N ATOM 1391 CA SER A 94 -1.844 6.996 -6.183 1.00 0.00 C ATOM 1392 C SER A 94 -1.306 5.781 -5.414 1.00 0.00 C ATOM 1393 O SER A 94 -0.179 5.825 -4.919 1.00 0.00 O ATOM 1394 CB SER A 94 -1.755 6.839 -7.706 1.00 0.00 C ATOM 1395 OG SER A 94 -1.643 8.085 -8.385 1.00 0.00 O ATOM 0 H SER A 94 -0.206 8.271 -6.327 1.00 0.00 H new ATOM 0 HA SER A 94 -2.901 7.105 -5.940 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.894 6.218 -7.953 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.640 6.314 -8.065 1.00 0.00 H new ATOM 0 HG SER A 94 -2.537 8.418 -8.608 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.090 4.714 -5.249 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.633 3.413 -4.799 1.00 0.00 C ATOM 1403 C VAL A 95 -2.652 2.395 -5.310 1.00 0.00 C ATOM 1404 O VAL A 95 -3.854 2.691 -5.299 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.462 3.408 -3.261 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -2.719 3.657 -2.424 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -0.873 2.090 -2.773 1.00 0.00 C ATOM 0 H VAL A 95 -3.093 4.741 -5.433 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.650 3.156 -5.193 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.798 4.259 -3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.463 3.628 -1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.132 4.635 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.458 2.886 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.766 2.119 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.536 1.270 -3.050 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.104 1.937 -3.230 1.00 0.00 H new ATOM 1417 N THR A 96 -2.210 1.207 -5.733 1.00 0.00 N ATOM 1418 CA THR A 96 -3.083 0.202 -6.323 1.00 0.00 C ATOM 1419 C THR A 96 -3.226 -1.016 -5.401 1.00 0.00 C ATOM 1420 O THR A 96 -2.339 -1.876 -5.338 1.00 0.00 O ATOM 1421 CB THR A 96 -2.600 -0.171 -7.730 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.260 0.974 -8.483 1.00 0.00 O ATOM 1423 CG2 THR A 96 -3.725 -0.898 -8.451 1.00 0.00 C ATOM 0 H THR A 96 -1.233 0.920 -5.673 1.00 0.00 H new ATOM 0 HA THR A 96 -4.082 0.624 -6.431 1.00 0.00 H new ATOM 0 HB THR A 96 -1.714 -0.798 -7.632 1.00 0.00 H new ATOM 0 HG1 THR A 96 -1.955 0.701 -9.373 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.398 -1.171 -9.454 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.989 -1.799 -7.898 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.596 -0.246 -8.518 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.335 -1.106 -4.678 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.628 -2.169 -3.722 1.00 0.00 C ATOM 1433 C LEU A 97 -5.355 -3.284 -4.457 1.00 0.00 C ATOM 1434 O LEU A 97 -6.505 -3.147 -4.864 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.462 -1.659 -2.531 1.00 0.00 C ATOM 1436 CG LEU A 97 -4.712 -0.586 -1.724 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -5.666 0.174 -0.805 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -3.567 -1.175 -0.890 1.00 0.00 C ATOM 0 H LEU A 97 -5.083 -0.416 -4.743 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.693 -2.542 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.403 -1.247 -2.896 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.712 -2.495 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.282 0.100 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.110 0.927 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.436 0.661 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.134 -0.523 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.070 -0.376 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.967 -1.906 -0.187 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.849 -1.662 -1.550 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.645 -4.393 -4.646 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.193 -5.631 -5.181 1.00 0.00 C ATOM 1452 C ARG A 98 -6.010 -6.370 -4.118 1.00 0.00 C ATOM 1453 O ARG A 98 -5.449 -6.682 -3.058 1.00 0.00 O ATOM 1454 CB ARG A 98 -4.058 -6.520 -5.690 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.474 -7.276 -6.948 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.514 -8.455 -7.172 1.00 0.00 C ATOM 1457 NE ARG A 98 -3.174 -8.628 -8.587 1.00 0.00 N ATOM 1458 CZ ARG A 98 -2.259 -7.917 -9.253 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -1.696 -6.851 -8.687 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -1.919 -8.259 -10.488 1.00 0.00 N ATOM 0 H ARG A 98 -3.651 -4.455 -4.426 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.858 -5.388 -6.010 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.181 -5.909 -5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.772 -7.229 -4.914 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.497 -7.639 -6.847 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.456 -6.609 -7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.602 -8.293 -6.598 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.970 -9.370 -6.795 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.676 -9.349 -9.105 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.963 -6.575 -7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -0.998 -6.311 -9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -2.356 -9.067 -10.932 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -1.220 -7.715 -10.994 1.00 0.00 H new ATOM 1474 N ILE A 99 -7.285 -6.663 -4.362 1.00 0.00 N ATOM 1475 CA ILE A 99 -8.181 -7.310 -3.401 1.00 0.00 C ATOM 1476 C ILE A 99 -8.886 -8.529 -4.009 1.00 0.00 C ATOM 1477 O ILE A 99 -8.849 -8.729 -5.224 1.00 0.00 O ATOM 1478 CB ILE A 99 -9.128 -6.278 -2.781 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.221 -5.826 -3.752 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.374 -5.061 -2.221 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.482 -5.598 -2.954 1.00 0.00 C ATOM 0 H ILE A 99 -7.736 -6.453 -5.253 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.590 -7.717 -2.580 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.614 -6.787 -1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.922 -4.911 -4.264 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -10.386 -6.582 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -9.087 -4.357 -1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.678 -5.388 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.822 -4.574 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.281 -5.274 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.774 -6.526 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.303 -4.829 -2.202 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.477 -9.368 -3.156 1.00 0.00 N ATOM 1494 CA ILE A 100 -10.362 -10.474 -3.532 1.00 0.00 C ATOM 1495 C ILE A 100 -11.784 -9.939 -3.779 1.00 0.00 C ATOM 1496 O ILE A 100 -12.355 -10.262 -4.825 1.00 0.00 O ATOM 1497 CB ILE A 100 -10.315 -11.597 -2.459 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -8.941 -12.270 -2.512 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -11.475 -12.605 -2.587 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -8.728 -13.326 -1.429 1.00 0.00 C ATOM 0 H ILE A 100 -9.348 -9.294 -2.147 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.019 -10.924 -4.464 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.455 -11.146 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.812 -12.735 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.169 -11.506 -2.418 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.385 -13.364 -1.810 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.425 -12.082 -2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.436 -13.082 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.732 -13.757 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.823 -12.864 -0.446 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.476 -14.111 -1.535 1.00 0.00 H new