USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 600 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 72 THR OG1 : rot -65:sc= 0.086 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.0851 USER MOD Set 2.1: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 88 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 68 SER OG : rot -160:sc= -1.46 USER MOD Set 3.2: A 71 THR OG1 : rot 80:sc= 1.26 USER MOD Set 3.3: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.00014) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0.227 K(o=0.23,f=-1.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0011 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.29 K(o=-1.3,f=-0.29) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0058 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -127:sc= -0.0441 (180deg=-0.379) USER MOD Single : A 69 SER OG : rot 120:sc= 0 USER MOD Single : A 70 SER OG : rot -45:sc= 0.93 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 74:sc= 0.572 USER MOD Single : A 95 THR OG1 : rot -169:sc= 1.37 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 11 -7.180 -12.424 -6.637 1.00 0.00 N ATOM 110 CA PRO A 11 -8.530 -12.002 -7.025 1.00 0.00 C ATOM 111 C PRO A 11 -8.512 -10.843 -8.016 1.00 0.00 C ATOM 112 O PRO A 11 -9.197 -10.878 -9.038 1.00 0.00 O ATOM 113 CB PRO A 11 -9.160 -11.564 -5.701 1.00 0.00 C ATOM 114 CG PRO A 11 -8.005 -11.177 -4.842 1.00 0.00 C ATOM 115 CD PRO A 11 -6.873 -12.084 -5.237 1.00 0.00 C ATOM 0 HA PRO A 11 -9.077 -12.799 -7.529 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.844 -10.728 -5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.736 -12.372 -5.250 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.738 -10.131 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.248 -11.293 -3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.908 -11.585 -5.147 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.832 -12.973 -4.607 1.00 0.00 H new ATOM 123 N ARG A 12 -7.724 -9.819 -7.707 1.00 0.00 N ATOM 124 CA ARG A 12 -7.619 -8.649 -8.570 1.00 0.00 C ATOM 125 C ARG A 12 -6.219 -8.045 -8.498 1.00 0.00 C ATOM 126 O ARG A 12 -5.368 -8.512 -7.741 1.00 0.00 O ATOM 127 CB ARG A 12 -8.659 -7.600 -8.174 1.00 0.00 C ATOM 128 CG ARG A 12 -10.066 -7.928 -8.648 1.00 0.00 C ATOM 129 CD ARG A 12 -10.205 -7.737 -10.150 1.00 0.00 C ATOM 130 NE ARG A 12 -11.296 -8.534 -10.704 1.00 0.00 N ATOM 131 CZ ARG A 12 -11.416 -8.820 -11.996 1.00 0.00 C ATOM 132 NH1 ARG A 12 -10.515 -8.376 -12.862 1.00 0.00 N ATOM 133 NH2 ARG A 12 -12.437 -9.552 -12.423 1.00 0.00 N ATOM 0 H ARG A 12 -7.149 -9.776 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.807 -8.967 -9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.665 -7.498 -7.089 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.363 -6.634 -8.583 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.308 -8.958 -8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.783 -7.291 -8.131 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.379 -6.683 -10.367 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.270 -8.012 -10.639 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.005 -8.891 -10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.728 -7.814 -12.537 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.609 -8.596 -13.853 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.131 -9.896 -11.759 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.528 -9.771 -13.415 1.00 0.00 H new ATOM 147 N HIS A 13 -5.988 -7.003 -9.291 1.00 0.00 N ATOM 148 CA HIS A 13 -4.692 -6.335 -9.317 1.00 0.00 C ATOM 149 C HIS A 13 -4.761 -4.988 -8.604 1.00 0.00 C ATOM 150 O HIS A 13 -5.836 -4.407 -8.453 1.00 0.00 O ATOM 151 CB HIS A 13 -4.225 -6.138 -10.760 1.00 0.00 C ATOM 152 CG HIS A 13 -3.900 -7.419 -11.464 1.00 0.00 C ATOM 153 ND1 HIS A 13 -4.766 -8.035 -12.343 1.00 0.00 N ATOM 154 CD2 HIS A 13 -2.795 -8.200 -11.417 1.00 0.00 C ATOM 155 CE1 HIS A 13 -4.208 -9.140 -12.805 1.00 0.00 C ATOM 156 NE2 HIS A 13 -3.012 -9.263 -12.258 1.00 0.00 N ATOM 0 H HIS A 13 -6.681 -6.603 -9.924 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.974 -6.967 -8.794 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.002 -5.614 -11.316 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.343 -5.497 -10.764 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.908 -8.020 -10.828 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.654 -9.826 -13.510 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -2.356 -10.024 -12.432 1.00 0.00 H new ATOM 165 N LEU A 14 -3.607 -4.496 -8.166 1.00 0.00 N ATOM 166 CA LEU A 14 -3.535 -3.217 -7.468 1.00 0.00 C ATOM 167 C LEU A 14 -3.349 -2.068 -8.453 1.00 0.00 C ATOM 168 O LEU A 14 -3.065 -2.286 -9.630 1.00 0.00 O ATOM 169 CB LEU A 14 -2.387 -3.229 -6.457 1.00 0.00 C ATOM 170 CG LEU A 14 -2.736 -3.717 -5.051 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.483 -4.163 -4.314 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.455 -2.626 -4.270 1.00 0.00 C ATOM 0 H LEU A 14 -2.708 -4.964 -8.282 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.476 -3.067 -6.938 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.589 -3.859 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.987 -2.218 -6.380 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.405 -4.573 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.751 -4.507 -3.315 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.008 -4.977 -4.863 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.790 -3.326 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.696 -2.992 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.811 -1.751 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.375 -2.354 -4.788 1.00 0.00 H new ATOM 184 N GLY A 15 -3.509 -0.843 -7.963 1.00 0.00 N ATOM 185 CA GLY A 15 -3.353 0.323 -8.813 1.00 0.00 C ATOM 186 C GLY A 15 -2.751 1.502 -8.075 1.00 0.00 C ATOM 187 O GLY A 15 -3.256 1.913 -7.030 1.00 0.00 O ATOM 0 H GLY A 15 -3.744 -0.637 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.719 0.068 -9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.325 0.608 -9.215 1.00 0.00 H new ATOM 191 N PHE A 16 -1.668 2.048 -8.618 1.00 0.00 N ATOM 192 CA PHE A 16 -0.995 3.186 -8.003 1.00 0.00 C ATOM 193 C PHE A 16 -1.108 4.427 -8.885 1.00 0.00 C ATOM 194 O PHE A 16 -0.703 4.414 -10.047 1.00 0.00 O ATOM 195 CB PHE A 16 0.478 2.859 -7.749 1.00 0.00 C ATOM 196 CG PHE A 16 0.682 1.712 -6.801 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.598 1.906 -5.431 1.00 0.00 C ATOM 198 CD2 PHE A 16 0.959 0.442 -7.279 1.00 0.00 C ATOM 199 CE1 PHE A 16 0.785 0.853 -4.556 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.147 -0.615 -6.408 1.00 0.00 C ATOM 201 CZ PHE A 16 1.061 -0.409 -5.045 1.00 0.00 C ATOM 0 H PHE A 16 -1.238 1.721 -9.483 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.483 3.393 -7.051 1.00 0.00 H new ATOM 0 HB2 PHE A 16 0.959 2.625 -8.699 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.975 3.743 -7.349 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.384 2.891 -5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.029 0.276 -8.344 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.715 1.017 -3.491 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.361 -1.601 -6.793 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.209 -1.233 -4.363 1.00 0.00 H new ATOM 211 N SER A 17 -1.661 5.497 -8.323 1.00 0.00 N ATOM 212 CA SER A 17 -1.832 6.744 -9.058 1.00 0.00 C ATOM 213 C SER A 17 -1.448 7.941 -8.194 1.00 0.00 C ATOM 214 O SER A 17 -1.382 7.840 -6.968 1.00 0.00 O ATOM 215 CB SER A 17 -3.279 6.887 -9.534 1.00 0.00 C ATOM 216 OG SER A 17 -3.402 7.930 -10.485 1.00 0.00 O ATOM 0 H SER A 17 -1.998 5.525 -7.361 1.00 0.00 H new ATOM 0 HA SER A 17 -1.173 6.718 -9.926 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.615 5.948 -9.974 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.927 7.090 -8.681 1.00 0.00 H new ATOM 0 HG SER A 17 -4.336 8.000 -10.775 1.00 0.00 H new ATOM 222 N ASP A 18 -1.196 9.074 -8.841 1.00 0.00 N ATOM 223 CA ASP A 18 -0.819 10.292 -8.132 1.00 0.00 C ATOM 224 C ASP A 18 0.397 10.050 -7.244 1.00 0.00 C ATOM 225 O ASP A 18 0.569 10.706 -6.216 1.00 0.00 O ATOM 226 CB ASP A 18 -1.990 10.799 -7.289 1.00 0.00 C ATOM 227 CG ASP A 18 -2.999 11.579 -8.108 1.00 0.00 C ATOM 228 OD1 ASP A 18 -3.127 11.295 -9.318 1.00 0.00 O ATOM 229 OD2 ASP A 18 -3.660 12.474 -7.541 1.00 0.00 O ATOM 0 H ASP A 18 -1.246 9.174 -9.855 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.560 11.049 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.487 9.952 -6.817 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.609 11.433 -6.488 1.00 0.00 H new ATOM 234 N VAL A 19 1.238 9.103 -7.646 1.00 0.00 N ATOM 235 CA VAL A 19 2.439 8.774 -6.887 1.00 0.00 C ATOM 236 C VAL A 19 3.404 9.953 -6.846 1.00 0.00 C ATOM 237 O VAL A 19 3.750 10.521 -7.882 1.00 0.00 O ATOM 238 CB VAL A 19 3.163 7.552 -7.483 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.428 7.244 -6.696 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.236 6.346 -7.512 1.00 0.00 C ATOM 0 H VAL A 19 1.110 8.550 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 19 2.117 8.537 -5.873 1.00 0.00 H new ATOM 0 HB VAL A 19 3.450 7.786 -8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.926 6.378 -7.132 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.097 8.103 -6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.168 7.030 -5.659 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.764 5.492 -7.936 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.917 6.108 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.363 6.573 -8.123 1.00 0.00 H new ATOM 250 N SER A 20 3.836 10.316 -5.643 1.00 0.00 N ATOM 251 CA SER A 20 4.760 11.431 -5.467 1.00 0.00 C ATOM 252 C SER A 20 6.123 10.937 -4.994 1.00 0.00 C ATOM 253 O SER A 20 6.353 9.733 -4.872 1.00 0.00 O ATOM 254 CB SER A 20 4.193 12.437 -4.463 1.00 0.00 C ATOM 255 OG SER A 20 2.940 12.938 -4.896 1.00 0.00 O ATOM 0 H SER A 20 3.561 9.855 -4.776 1.00 0.00 H new ATOM 0 HA SER A 20 4.886 11.923 -6.432 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.081 11.960 -3.489 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.894 13.262 -4.335 1.00 0.00 H new ATOM 0 HG SER A 20 2.598 13.577 -4.237 1.00 0.00 H new ATOM 261 N HIS A 21 7.026 11.875 -4.728 1.00 0.00 N ATOM 262 CA HIS A 21 8.368 11.537 -4.267 1.00 0.00 C ATOM 263 C HIS A 21 8.389 11.336 -2.755 1.00 0.00 C ATOM 264 O HIS A 21 9.368 10.838 -2.198 1.00 0.00 O ATOM 265 CB HIS A 21 9.358 12.634 -4.662 1.00 0.00 C ATOM 266 CG HIS A 21 8.857 14.019 -4.388 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.027 14.703 -5.250 1.00 0.00 N ATOM 268 CD2 HIS A 21 9.072 14.846 -3.338 1.00 0.00 C ATOM 269 CE1 HIS A 21 7.755 15.893 -4.744 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.377 16.005 -3.584 1.00 0.00 N ATOM 0 H HIS A 21 6.853 12.876 -4.824 1.00 0.00 H new ATOM 0 HA HIS A 21 8.664 10.603 -4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.292 12.481 -4.122 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.585 12.542 -5.724 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.677 14.634 -2.469 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.130 16.646 -5.201 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.346 16.820 -2.971 1.00 0.00 H new ATOM 279 N ASP A 22 7.304 11.729 -2.096 1.00 0.00 N ATOM 280 CA ASP A 22 7.198 11.592 -0.648 1.00 0.00 C ATOM 281 C ASP A 22 5.850 10.993 -0.256 1.00 0.00 C ATOM 282 O ASP A 22 5.394 11.154 0.875 1.00 0.00 O ATOM 283 CB ASP A 22 7.382 12.951 0.029 1.00 0.00 C ATOM 284 CG ASP A 22 6.363 13.972 -0.436 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.249 13.996 0.126 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.680 14.748 -1.362 1.00 0.00 O ATOM 0 H ASP A 22 6.486 12.145 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 22 7.986 10.918 -0.313 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.303 12.829 1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.385 13.323 -0.177 1.00 0.00 H new ATOM 291 N ALA A 23 5.218 10.303 -1.200 1.00 0.00 N ATOM 292 CA ALA A 23 3.924 9.680 -0.954 1.00 0.00 C ATOM 293 C ALA A 23 3.477 8.849 -2.152 1.00 0.00 C ATOM 294 O ALA A 23 3.984 9.019 -3.260 1.00 0.00 O ATOM 295 CB ALA A 23 2.882 10.740 -0.626 1.00 0.00 C ATOM 0 H ALA A 23 5.582 10.162 -2.142 1.00 0.00 H new ATOM 0 HA ALA A 23 4.028 9.011 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.920 10.261 -0.444 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.188 11.288 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.790 11.432 -1.463 1.00 0.00 H new ATOM 301 N ALA A 24 2.526 7.950 -1.921 1.00 0.00 N ATOM 302 CA ALA A 24 2.011 7.094 -2.982 1.00 0.00 C ATOM 303 C ALA A 24 0.633 6.546 -2.624 1.00 0.00 C ATOM 304 O ALA A 24 0.448 5.953 -1.561 1.00 0.00 O ATOM 305 CB ALA A 24 2.980 5.954 -3.257 1.00 0.00 C ATOM 0 H ALA A 24 2.097 7.796 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 24 1.910 7.696 -3.885 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.583 5.322 -4.052 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.943 6.361 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.109 5.360 -2.352 1.00 0.00 H new ATOM 311 N ARG A 25 -0.329 6.748 -3.518 1.00 0.00 N ATOM 312 CA ARG A 25 -1.690 6.275 -3.295 1.00 0.00 C ATOM 313 C ARG A 25 -1.870 4.861 -3.839 1.00 0.00 C ATOM 314 O ARG A 25 -1.621 4.601 -5.016 1.00 0.00 O ATOM 315 CB ARG A 25 -2.695 7.220 -3.957 1.00 0.00 C ATOM 316 CG ARG A 25 -4.145 6.871 -3.661 1.00 0.00 C ATOM 317 CD ARG A 25 -5.098 7.879 -4.284 1.00 0.00 C ATOM 318 NE ARG A 25 -5.350 7.596 -5.694 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.312 8.178 -6.400 1.00 0.00 C ATOM 320 NH1 ARG A 25 -7.109 9.072 -5.831 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.479 7.868 -7.680 1.00 0.00 N ATOM 0 H ARG A 25 -0.191 7.236 -4.403 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.871 6.258 -2.220 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.499 8.238 -3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.539 7.205 -5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.366 5.875 -4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.300 6.840 -2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.042 7.871 -3.738 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.681 8.881 -4.184 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.754 6.913 -6.162 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.984 9.314 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.847 9.517 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.868 7.182 -8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.219 8.316 -8.221 1.00 0.00 H new ATOM 335 N VAL A 26 -2.305 3.951 -2.974 1.00 0.00 N ATOM 336 CA VAL A 26 -2.519 2.563 -3.367 1.00 0.00 C ATOM 337 C VAL A 26 -4.003 2.215 -3.368 1.00 0.00 C ATOM 338 O VAL A 26 -4.663 2.260 -2.329 1.00 0.00 O ATOM 339 CB VAL A 26 -1.776 1.593 -2.429 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.321 1.696 -1.013 1.00 0.00 C ATOM 341 CG2 VAL A 26 -1.881 0.166 -2.947 1.00 0.00 C ATOM 0 H VAL A 26 -2.516 4.150 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.123 2.455 -4.377 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.722 1.871 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.784 1.003 -0.365 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.189 2.714 -0.645 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.382 1.445 -1.012 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.351 -0.506 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.930 -0.126 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.438 0.106 -3.941 1.00 0.00 H new ATOM 351 N PHE A 27 -4.523 1.867 -4.540 1.00 0.00 N ATOM 352 CA PHE A 27 -5.930 1.511 -4.677 1.00 0.00 C ATOM 353 C PHE A 27 -6.084 0.143 -5.334 1.00 0.00 C ATOM 354 O PHE A 27 -5.211 -0.300 -6.081 1.00 0.00 O ATOM 355 CB PHE A 27 -6.668 2.570 -5.500 1.00 0.00 C ATOM 356 CG PHE A 27 -6.402 2.475 -6.975 1.00 0.00 C ATOM 357 CD1 PHE A 27 -7.043 1.521 -7.748 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.512 3.341 -7.589 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.800 1.432 -9.106 1.00 0.00 C ATOM 360 CE2 PHE A 27 -5.265 3.257 -8.946 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.910 2.301 -9.706 1.00 0.00 C ATOM 0 H PHE A 27 -3.991 1.824 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.366 1.466 -3.679 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.739 2.473 -5.325 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.376 3.560 -5.149 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.741 0.839 -7.285 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.005 4.091 -7.000 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.306 0.683 -9.697 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.568 3.938 -9.412 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.719 2.233 -10.767 1.00 0.00 H new ATOM 371 N TRP A 28 -7.198 -0.522 -5.050 1.00 0.00 N ATOM 372 CA TRP A 28 -7.466 -1.840 -5.612 1.00 0.00 C ATOM 373 C TRP A 28 -8.778 -1.844 -6.390 1.00 0.00 C ATOM 374 O TRP A 28 -9.645 -1.002 -6.163 1.00 0.00 O ATOM 375 CB TRP A 28 -7.515 -2.891 -4.501 1.00 0.00 C ATOM 376 CG TRP A 28 -8.203 -2.411 -3.260 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.476 -2.706 -2.862 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.656 -1.550 -2.255 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.753 -2.080 -1.671 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.653 -1.365 -1.277 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.421 -0.918 -2.086 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.451 -0.575 -0.149 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.223 -0.134 -0.965 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.233 0.032 -0.008 1.00 0.00 C ATOM 0 H TRP A 28 -7.930 -0.170 -4.434 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.657 -2.085 -6.299 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.028 -3.778 -4.872 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.498 -3.192 -4.251 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.164 -3.338 -3.404 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.635 -2.138 -1.162 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.636 -1.040 -2.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.229 -0.446 0.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.273 0.360 -0.824 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.046 0.651 0.857 1.00 0.00 H new ATOM 395 N GLU A 29 -8.915 -2.797 -7.306 1.00 0.00 N ATOM 396 CA GLU A 29 -10.122 -2.909 -8.117 1.00 0.00 C ATOM 397 C GLU A 29 -11.247 -3.575 -7.330 1.00 0.00 C ATOM 398 O GLU A 29 -12.292 -3.911 -7.884 1.00 0.00 O ATOM 399 CB GLU A 29 -9.835 -3.705 -9.391 1.00 0.00 C ATOM 400 CG GLU A 29 -9.021 -2.937 -10.420 1.00 0.00 C ATOM 401 CD GLU A 29 -9.884 -2.074 -11.319 1.00 0.00 C ATOM 402 OE1 GLU A 29 -11.046 -2.455 -11.572 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.397 -1.016 -11.770 1.00 0.00 O ATOM 0 H GLU A 29 -8.206 -3.502 -7.505 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.440 -1.903 -8.390 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.301 -4.618 -9.126 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.781 -4.008 -9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.294 -2.307 -9.907 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.457 -3.642 -11.031 1.00 0.00 H new ATOM 410 N GLY A 30 -11.023 -3.762 -6.033 1.00 0.00 N ATOM 411 CA GLY A 30 -12.025 -4.388 -5.190 1.00 0.00 C ATOM 412 C GLY A 30 -12.026 -5.898 -5.314 1.00 0.00 C ATOM 413 O GLY A 30 -11.381 -6.455 -6.201 1.00 0.00 O ATOM 0 H GLY A 30 -10.166 -3.491 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.845 -4.112 -4.151 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.010 -4.004 -5.456 1.00 0.00 H new ATOM 417 N ALA A 31 -12.752 -6.563 -4.421 1.00 0.00 N ATOM 418 CA ALA A 31 -12.835 -8.018 -4.435 1.00 0.00 C ATOM 419 C ALA A 31 -14.263 -8.485 -4.694 1.00 0.00 C ATOM 420 O ALA A 31 -15.233 -7.788 -4.394 1.00 0.00 O ATOM 421 CB ALA A 31 -12.321 -8.589 -3.121 1.00 0.00 C ATOM 0 H ALA A 31 -13.291 -6.117 -3.679 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.208 -8.384 -5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.389 -9.677 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.282 -8.293 -2.978 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.924 -8.206 -2.297 1.00 0.00 H new ATOM 427 N PRO A 32 -14.399 -9.692 -5.264 1.00 0.00 N ATOM 428 CA PRO A 32 -15.706 -10.278 -5.575 1.00 0.00 C ATOM 429 C PRO A 32 -16.477 -10.675 -4.321 1.00 0.00 C ATOM 430 O PRO A 32 -17.569 -11.236 -4.405 1.00 0.00 O ATOM 431 CB PRO A 32 -15.351 -11.517 -6.400 1.00 0.00 C ATOM 432 CG PRO A 32 -13.971 -11.876 -5.970 1.00 0.00 C ATOM 433 CD PRO A 32 -13.286 -10.577 -5.647 1.00 0.00 C ATOM 0 HA PRO A 32 -16.355 -9.574 -6.096 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.049 -12.332 -6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.390 -11.306 -7.469 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.992 -12.533 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.443 -12.410 -6.760 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.567 -10.692 -4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.739 -10.187 -6.505 1.00 0.00 H new ATOM 441 N ARG A 33 -15.901 -10.380 -3.160 1.00 0.00 N ATOM 442 CA ARG A 33 -16.535 -10.707 -1.888 1.00 0.00 C ATOM 443 C ARG A 33 -16.667 -9.466 -1.011 1.00 0.00 C ATOM 444 O ARG A 33 -15.926 -8.493 -1.154 1.00 0.00 O ATOM 445 CB ARG A 33 -15.729 -11.780 -1.154 1.00 0.00 C ATOM 446 CG ARG A 33 -14.232 -11.514 -1.139 1.00 0.00 C ATOM 447 CD ARG A 33 -13.540 -12.156 -2.331 1.00 0.00 C ATOM 448 NE ARG A 33 -13.624 -13.614 -2.293 1.00 0.00 N ATOM 449 CZ ARG A 33 -12.871 -14.413 -3.040 1.00 0.00 C ATOM 450 NH1 ARG A 33 -11.983 -13.899 -3.880 1.00 0.00 N ATOM 451 NH2 ARG A 33 -13.005 -15.730 -2.949 1.00 0.00 N ATOM 0 H ARG A 33 -14.997 -9.915 -3.074 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.534 -11.091 -2.096 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.087 -11.852 -0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -15.913 -12.746 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.052 -10.439 -1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -13.802 -11.901 -0.215 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.993 -11.791 -3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -12.493 -11.854 -2.348 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.298 -14.042 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.877 -12.887 -3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -11.406 -14.515 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.687 -16.130 -2.305 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.426 -16.342 -3.523 1.00 0.00 H new ATOM 465 N PRO A 34 -17.633 -9.498 -0.081 1.00 0.00 N ATOM 466 CA PRO A 34 -17.885 -8.384 0.838 1.00 0.00 C ATOM 467 C PRO A 34 -16.768 -8.213 1.862 1.00 0.00 C ATOM 468 O PRO A 34 -16.240 -9.193 2.388 1.00 0.00 O ATOM 469 CB PRO A 34 -19.190 -8.784 1.530 1.00 0.00 C ATOM 470 CG PRO A 34 -19.225 -10.270 1.443 1.00 0.00 C ATOM 471 CD PRO A 34 -18.553 -10.625 0.146 1.00 0.00 C ATOM 0 HA PRO A 34 -17.939 -7.429 0.316 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.208 -8.448 2.567 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.053 -8.338 1.036 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -18.706 -10.723 2.288 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.251 -10.638 1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.018 -11.572 0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.274 -10.725 -0.666 1.00 0.00 H new ATOM 479 N VAL A 35 -16.415 -6.963 2.142 1.00 0.00 N ATOM 480 CA VAL A 35 -15.362 -6.664 3.106 1.00 0.00 C ATOM 481 C VAL A 35 -15.888 -5.798 4.244 1.00 0.00 C ATOM 482 O VAL A 35 -16.656 -4.861 4.021 1.00 0.00 O ATOM 483 CB VAL A 35 -14.175 -5.947 2.435 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.147 -5.528 3.476 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.542 -6.838 1.378 1.00 0.00 C ATOM 0 H VAL A 35 -16.842 -6.141 1.715 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.021 -7.618 3.508 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.547 -5.048 1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.316 -5.023 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.610 -4.850 4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.778 -6.411 3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.705 -6.315 0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.183 -7.756 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.283 -7.083 0.617 1.00 0.00 H new ATOM 495 N ARG A 36 -15.470 -6.116 5.465 1.00 0.00 N ATOM 496 CA ARG A 36 -15.901 -5.367 6.639 1.00 0.00 C ATOM 497 C ARG A 36 -14.827 -4.374 7.074 1.00 0.00 C ATOM 498 O ARG A 36 -15.131 -3.320 7.634 1.00 0.00 O ATOM 499 CB ARG A 36 -16.222 -6.322 7.790 1.00 0.00 C ATOM 500 CG ARG A 36 -14.997 -7.003 8.377 1.00 0.00 C ATOM 501 CD ARG A 36 -15.354 -7.837 9.598 1.00 0.00 C ATOM 502 NE ARG A 36 -15.514 -7.015 10.794 1.00 0.00 N ATOM 503 CZ ARG A 36 -15.457 -7.498 12.031 1.00 0.00 C ATOM 504 NH1 ARG A 36 -15.245 -8.791 12.231 1.00 0.00 N ATOM 505 NH2 ARG A 36 -15.612 -6.687 13.069 1.00 0.00 N ATOM 0 H ARG A 36 -14.834 -6.887 5.667 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.801 -4.812 6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.732 -5.768 8.578 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.916 -7.084 7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.537 -7.640 7.622 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -14.258 -6.251 8.652 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.278 -8.383 9.407 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -14.575 -8.580 9.770 1.00 0.00 H new ATOM 0 HE ARG A 36 -15.678 -6.016 10.674 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.125 -9.417 11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.202 -9.160 13.181 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.775 -5.691 12.918 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.568 -7.059 14.018 1.00 0.00 H new ATOM 519 N LEU A 37 -13.570 -4.717 6.812 1.00 0.00 N ATOM 520 CA LEU A 37 -12.451 -3.855 7.176 1.00 0.00 C ATOM 521 C LEU A 37 -11.218 -4.182 6.339 1.00 0.00 C ATOM 522 O LEU A 37 -11.043 -5.314 5.888 1.00 0.00 O ATOM 523 CB LEU A 37 -12.126 -4.008 8.663 1.00 0.00 C ATOM 524 CG LEU A 37 -10.867 -3.292 9.153 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.136 -1.807 9.339 1.00 0.00 C ATOM 526 CD2 LEU A 37 -10.371 -3.913 10.451 1.00 0.00 C ATOM 0 H LEU A 37 -13.301 -5.585 6.349 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.740 -2.823 6.978 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.975 -3.642 9.239 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.025 -5.070 8.885 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.089 -3.408 8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.229 -1.314 9.688 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.443 -1.371 8.388 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.929 -1.670 10.074 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.474 -3.391 10.785 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.145 -3.829 11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.138 -4.965 10.285 1.00 0.00 H new ATOM 538 N VAL A 38 -10.365 -3.183 6.136 1.00 0.00 N ATOM 539 CA VAL A 38 -9.147 -3.364 5.357 1.00 0.00 C ATOM 540 C VAL A 38 -7.929 -2.840 6.109 1.00 0.00 C ATOM 541 O VAL A 38 -7.952 -1.738 6.657 1.00 0.00 O ATOM 542 CB VAL A 38 -9.240 -2.651 3.995 1.00 0.00 C ATOM 543 CG1 VAL A 38 -7.969 -2.870 3.188 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.460 -3.133 3.224 1.00 0.00 C ATOM 0 H VAL A 38 -10.496 -2.239 6.501 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.035 -4.436 5.192 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.349 -1.581 4.172 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.054 -2.359 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.116 -2.472 3.737 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.825 -3.937 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.510 -2.619 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.384 -4.207 3.057 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.361 -2.918 3.798 1.00 0.00 H new ATOM 554 N ARG A 39 -6.866 -3.637 6.132 1.00 0.00 N ATOM 555 CA ARG A 39 -5.638 -3.254 6.819 1.00 0.00 C ATOM 556 C ARG A 39 -4.468 -3.184 5.842 1.00 0.00 C ATOM 557 O ARG A 39 -4.001 -4.208 5.342 1.00 0.00 O ATOM 558 CB ARG A 39 -5.323 -4.247 7.939 1.00 0.00 C ATOM 559 CG ARG A 39 -4.570 -3.630 9.106 1.00 0.00 C ATOM 560 CD ARG A 39 -4.158 -4.684 10.122 1.00 0.00 C ATOM 561 NE ARG A 39 -3.260 -5.680 9.543 1.00 0.00 N ATOM 562 CZ ARG A 39 -2.602 -6.582 10.262 1.00 0.00 C ATOM 563 NH1 ARG A 39 -2.740 -6.613 11.581 1.00 0.00 N ATOM 564 NH2 ARG A 39 -1.803 -7.456 9.663 1.00 0.00 N ATOM 0 H ARG A 39 -6.830 -4.552 5.683 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.787 -2.265 7.252 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.256 -4.676 8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.733 -5.068 7.530 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.684 -3.113 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.197 -2.881 9.590 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.667 -4.201 10.967 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.047 -5.180 10.511 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.131 -5.683 8.531 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.353 -5.943 12.046 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.233 -7.307 12.131 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.694 -7.435 8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.298 -8.148 10.217 1.00 0.00 H new ATOM 578 N VAL A 40 -3.998 -1.970 5.574 1.00 0.00 N ATOM 579 CA VAL A 40 -2.882 -1.767 4.658 1.00 0.00 C ATOM 580 C VAL A 40 -1.575 -1.577 5.418 1.00 0.00 C ATOM 581 O VAL A 40 -1.546 -0.959 6.483 1.00 0.00 O ATOM 582 CB VAL A 40 -3.117 -0.545 3.749 1.00 0.00 C ATOM 583 CG1 VAL A 40 -2.106 -0.522 2.613 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.539 -0.549 3.209 1.00 0.00 C ATOM 0 H VAL A 40 -4.373 -1.112 5.978 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.813 -2.662 4.040 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.981 0.359 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.288 0.348 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.098 -0.468 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.207 -1.430 2.018 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.688 0.321 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.706 -1.458 2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.244 -0.513 4.040 1.00 0.00 H new ATOM 594 N THR A 41 -0.491 -2.113 4.864 1.00 0.00 N ATOM 595 CA THR A 41 0.821 -2.004 5.489 1.00 0.00 C ATOM 596 C THR A 41 1.921 -1.884 4.441 1.00 0.00 C ATOM 597 O THR A 41 2.038 -2.727 3.551 1.00 0.00 O ATOM 598 CB THR A 41 1.116 -3.218 6.391 1.00 0.00 C ATOM 599 OG1 THR A 41 0.991 -4.429 5.638 1.00 0.00 O ATOM 600 CG2 THR A 41 0.166 -3.253 7.579 1.00 0.00 C ATOM 0 H THR A 41 -0.497 -2.627 3.983 1.00 0.00 H new ATOM 0 HA THR A 41 0.806 -1.102 6.100 1.00 0.00 H new ATOM 0 HB THR A 41 2.136 -3.126 6.764 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.182 -5.196 6.218 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.393 -4.119 8.201 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.284 -2.343 8.166 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.861 -3.323 7.221 1.00 0.00 H new ATOM 608 N TYR A 42 2.726 -0.834 4.553 1.00 0.00 N ATOM 609 CA TYR A 42 3.817 -0.603 3.613 1.00 0.00 C ATOM 610 C TYR A 42 5.170 -0.726 4.308 1.00 0.00 C ATOM 611 O TYR A 42 5.278 -0.535 5.520 1.00 0.00 O ATOM 612 CB TYR A 42 3.683 0.780 2.973 1.00 0.00 C ATOM 613 CG TYR A 42 3.396 1.882 3.968 1.00 0.00 C ATOM 614 CD1 TYR A 42 2.136 2.021 4.536 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.386 2.783 4.340 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.869 3.027 5.444 1.00 0.00 C ATOM 617 CE2 TYR A 42 4.129 3.792 5.248 1.00 0.00 C ATOM 618 CZ TYR A 42 2.869 3.910 5.797 1.00 0.00 C ATOM 619 OH TYR A 42 2.608 4.913 6.703 1.00 0.00 O ATOM 0 H TYR A 42 2.644 -0.129 5.285 1.00 0.00 H new ATOM 0 HA TYR A 42 3.759 -1.363 2.834 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.604 1.015 2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.883 0.753 2.233 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.352 1.331 4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.373 2.693 3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.883 3.122 5.875 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.910 4.484 5.526 1.00 0.00 H new ATOM 0 HH TYR A 42 3.418 5.446 6.843 1.00 0.00 H new ATOM 629 N VAL A 43 6.200 -1.045 3.532 1.00 0.00 N ATOM 630 CA VAL A 43 7.547 -1.191 4.070 1.00 0.00 C ATOM 631 C VAL A 43 8.599 -0.900 3.006 1.00 0.00 C ATOM 632 O VAL A 43 8.392 -1.171 1.823 1.00 0.00 O ATOM 633 CB VAL A 43 7.777 -2.608 4.629 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.793 -3.630 3.503 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.070 -2.661 5.428 1.00 0.00 C ATOM 0 H VAL A 43 6.127 -1.207 2.528 1.00 0.00 H new ATOM 0 HA VAL A 43 7.644 -0.468 4.880 1.00 0.00 H new ATOM 0 HB VAL A 43 6.953 -2.855 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.957 -4.625 3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.838 -3.608 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.596 -3.391 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.217 -3.669 5.816 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.907 -2.394 4.783 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.014 -1.957 6.259 1.00 0.00 H new ATOM 645 N SER A 44 9.729 -0.347 3.434 1.00 0.00 N ATOM 646 CA SER A 44 10.813 -0.015 2.518 1.00 0.00 C ATOM 647 C SER A 44 11.407 -1.277 1.899 1.00 0.00 C ATOM 648 O SER A 44 11.203 -2.383 2.401 1.00 0.00 O ATOM 649 CB SER A 44 11.904 0.771 3.248 1.00 0.00 C ATOM 650 OG SER A 44 12.303 0.107 4.435 1.00 0.00 O ATOM 0 H SER A 44 9.918 -0.119 4.410 1.00 0.00 H new ATOM 0 HA SER A 44 10.404 0.603 1.719 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.765 0.899 2.592 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.537 1.768 3.491 1.00 0.00 H new ATOM 0 HG SER A 44 13.002 0.628 4.882 1.00 0.00 H new ATOM 714 N SER A 50 8.405 1.253 8.145 1.00 0.00 N ATOM 715 CA SER A 50 7.174 0.520 7.876 1.00 0.00 C ATOM 716 C SER A 50 5.987 1.176 8.575 1.00 0.00 C ATOM 717 O SER A 50 6.117 1.706 9.678 1.00 0.00 O ATOM 718 CB SER A 50 7.310 -0.934 8.332 1.00 0.00 C ATOM 719 OG SER A 50 7.176 -1.041 9.739 1.00 0.00 O ATOM 0 HA SER A 50 6.996 0.540 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.550 -1.544 7.844 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.280 -1.326 8.025 1.00 0.00 H new ATOM 0 HG SER A 50 7.265 -1.980 10.006 1.00 0.00 H new ATOM 725 N GLY A 51 4.828 1.136 7.924 1.00 0.00 N ATOM 726 CA GLY A 51 3.634 1.729 8.498 1.00 0.00 C ATOM 727 C GLY A 51 2.419 0.834 8.361 1.00 0.00 C ATOM 728 O GLY A 51 2.491 -0.232 7.751 1.00 0.00 O ATOM 0 H GLY A 51 4.695 0.704 7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.808 1.941 9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.435 2.683 8.010 1.00 0.00 H new ATOM 732 N GLN A 52 1.299 1.268 8.931 1.00 0.00 N ATOM 733 CA GLN A 52 0.064 0.496 8.872 1.00 0.00 C ATOM 734 C GLN A 52 -1.153 1.406 8.999 1.00 0.00 C ATOM 735 O GLN A 52 -1.269 2.177 9.952 1.00 0.00 O ATOM 736 CB GLN A 52 0.043 -0.560 9.978 1.00 0.00 C ATOM 737 CG GLN A 52 -1.243 -1.369 10.024 1.00 0.00 C ATOM 738 CD GLN A 52 -1.492 -1.993 11.383 1.00 0.00 C ATOM 739 OE1 GLN A 52 -2.416 -1.603 12.098 1.00 0.00 O ATOM 740 NE2 GLN A 52 -0.668 -2.968 11.747 1.00 0.00 N ATOM 0 H GLN A 52 1.222 2.149 9.438 1.00 0.00 H new ATOM 0 HA GLN A 52 0.023 -0.002 7.903 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.884 -1.239 9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.188 -0.069 10.940 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.083 -0.724 9.765 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.200 -2.155 9.270 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.084 -3.259 11.123 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.787 -3.426 12.651 1.00 0.00 H new ATOM 749 N THR A 53 -2.060 1.312 8.031 1.00 0.00 N ATOM 750 CA THR A 53 -3.268 2.128 8.033 1.00 0.00 C ATOM 751 C THR A 53 -4.510 1.272 7.819 1.00 0.00 C ATOM 752 O THR A 53 -4.504 0.345 7.010 1.00 0.00 O ATOM 753 CB THR A 53 -3.214 3.215 6.944 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.301 4.132 7.112 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.277 2.595 5.556 1.00 0.00 C ATOM 0 H THR A 53 -1.981 0.679 7.235 1.00 0.00 H new ATOM 0 HA THR A 53 -3.324 2.607 9.011 1.00 0.00 H new ATOM 0 HB THR A 53 -2.269 3.750 7.043 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.258 4.821 6.416 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.237 3.383 4.804 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.432 1.920 5.420 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.207 2.037 5.449 1.00 0.00 H new ATOM 763 N GLU A 54 -5.575 1.589 8.549 1.00 0.00 N ATOM 764 CA GLU A 54 -6.825 0.847 8.438 1.00 0.00 C ATOM 765 C GLU A 54 -7.882 1.667 7.703 1.00 0.00 C ATOM 766 O GLU A 54 -7.937 2.889 7.837 1.00 0.00 O ATOM 767 CB GLU A 54 -7.339 0.459 9.826 1.00 0.00 C ATOM 768 CG GLU A 54 -6.607 -0.724 10.437 1.00 0.00 C ATOM 769 CD GLU A 54 -7.123 -1.079 11.819 1.00 0.00 C ATOM 770 OE1 GLU A 54 -8.334 -0.895 12.064 1.00 0.00 O ATOM 771 OE2 GLU A 54 -6.317 -1.539 12.653 1.00 0.00 O ATOM 0 H GLU A 54 -5.597 2.354 9.223 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.630 -0.059 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.245 1.317 10.492 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.401 0.223 9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.711 -1.589 9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.543 -0.496 10.498 1.00 0.00 H new ATOM 778 N ALA A 55 -8.718 0.985 6.928 1.00 0.00 N ATOM 779 CA ALA A 55 -9.774 1.650 6.173 1.00 0.00 C ATOM 780 C ALA A 55 -11.028 0.786 6.107 1.00 0.00 C ATOM 781 O ALA A 55 -10.978 -0.436 6.244 1.00 0.00 O ATOM 782 CB ALA A 55 -9.288 1.987 4.771 1.00 0.00 C ATOM 0 H ALA A 55 -8.685 -0.027 6.806 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.029 2.575 6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.086 2.483 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.425 2.650 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.004 1.070 4.254 1.00 0.00 H new ATOM 788 N PRO A 56 -12.183 1.434 5.893 1.00 0.00 N ATOM 789 CA PRO A 56 -13.473 0.744 5.804 1.00 0.00 C ATOM 790 C PRO A 56 -13.596 -0.096 4.537 1.00 0.00 C ATOM 791 O PRO A 56 -12.958 0.193 3.525 1.00 0.00 O ATOM 792 CB PRO A 56 -14.488 1.890 5.786 1.00 0.00 C ATOM 793 CG PRO A 56 -13.735 3.054 5.243 1.00 0.00 C ATOM 794 CD PRO A 56 -12.318 2.890 5.720 1.00 0.00 C ATOM 0 HA PRO A 56 -13.616 0.042 6.625 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.347 1.648 5.161 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.869 2.097 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.780 3.074 4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.160 3.993 5.597 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.602 3.277 4.994 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -12.144 3.424 6.654 1.00 0.00 H new ATOM 802 N GLY A 57 -14.421 -1.137 4.600 1.00 0.00 N ATOM 803 CA GLY A 57 -14.612 -2.002 3.450 1.00 0.00 C ATOM 804 C GLY A 57 -15.066 -1.241 2.221 1.00 0.00 C ATOM 805 O GLY A 57 -15.028 -1.766 1.109 1.00 0.00 O ATOM 0 H GLY A 57 -14.960 -1.397 5.426 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.678 -2.519 3.229 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.350 -2.767 3.693 1.00 0.00 H new ATOM 809 N ASN A 58 -15.499 -0.001 2.421 1.00 0.00 N ATOM 810 CA ASN A 58 -15.966 0.833 1.320 1.00 0.00 C ATOM 811 C ASN A 58 -14.802 1.573 0.666 1.00 0.00 C ATOM 812 O ASN A 58 -14.867 1.940 -0.506 1.00 0.00 O ATOM 813 CB ASN A 58 -17.007 1.838 1.818 1.00 0.00 C ATOM 814 CG ASN A 58 -17.460 2.790 0.729 1.00 0.00 C ATOM 815 OD1 ASN A 58 -18.531 2.621 0.146 1.00 0.00 O ATOM 816 ND2 ASN A 58 -16.643 3.799 0.448 1.00 0.00 N ATOM 0 H ASN A 58 -15.536 0.449 3.336 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.426 0.183 0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.871 1.299 2.208 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -16.588 2.410 2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -16.894 4.472 -0.276 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.765 3.901 0.956 1.00 0.00 H new ATOM 823 N ALA A 59 -13.738 1.786 1.434 1.00 0.00 N ATOM 824 CA ALA A 59 -12.559 2.478 0.929 1.00 0.00 C ATOM 825 C ALA A 59 -11.802 1.614 -0.073 1.00 0.00 C ATOM 826 O ALA A 59 -11.263 0.564 0.278 1.00 0.00 O ATOM 827 CB ALA A 59 -11.647 2.876 2.081 1.00 0.00 C ATOM 0 H ALA A 59 -13.669 1.489 2.407 1.00 0.00 H new ATOM 0 HA ALA A 59 -12.890 3.380 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -10.770 3.392 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.185 3.538 2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.332 1.983 2.621 1.00 0.00 H new ATOM 833 N THR A 60 -11.765 2.062 -1.325 1.00 0.00 N ATOM 834 CA THR A 60 -11.076 1.329 -2.379 1.00 0.00 C ATOM 835 C THR A 60 -9.764 2.008 -2.754 1.00 0.00 C ATOM 836 O THR A 60 -9.197 1.743 -3.814 1.00 0.00 O ATOM 837 CB THR A 60 -11.952 1.200 -3.639 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.644 2.430 -3.883 1.00 0.00 O ATOM 839 CG2 THR A 60 -12.958 0.068 -3.485 1.00 0.00 C ATOM 0 H THR A 60 -12.205 2.929 -1.633 1.00 0.00 H new ATOM 0 HA THR A 60 -10.868 0.334 -1.987 1.00 0.00 H new ATOM 0 HB THR A 60 -11.302 0.975 -4.485 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.197 2.340 -4.687 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.566 -0.004 -4.387 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.428 -0.871 -3.329 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.602 0.268 -2.629 1.00 0.00 H new ATOM 847 N SER A 61 -9.285 2.885 -1.877 1.00 0.00 N ATOM 848 CA SER A 61 -8.040 3.605 -2.118 1.00 0.00 C ATOM 849 C SER A 61 -7.543 4.274 -0.840 1.00 0.00 C ATOM 850 O SER A 61 -8.322 4.866 -0.093 1.00 0.00 O ATOM 851 CB SER A 61 -8.237 4.655 -3.213 1.00 0.00 C ATOM 852 OG SER A 61 -9.340 5.496 -2.921 1.00 0.00 O ATOM 0 H SER A 61 -9.740 3.114 -0.993 1.00 0.00 H new ATOM 0 HA SER A 61 -7.290 2.885 -2.446 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.333 5.256 -3.311 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.397 4.160 -4.171 1.00 0.00 H new ATOM 0 HG SER A 61 -9.444 6.159 -3.635 1.00 0.00 H new ATOM 858 N ALA A 62 -6.241 4.174 -0.594 1.00 0.00 N ATOM 859 CA ALA A 62 -5.639 4.770 0.591 1.00 0.00 C ATOM 860 C ALA A 62 -4.260 5.341 0.279 1.00 0.00 C ATOM 861 O ALA A 62 -3.522 4.793 -0.539 1.00 0.00 O ATOM 862 CB ALA A 62 -5.546 3.742 1.710 1.00 0.00 C ATOM 0 H ALA A 62 -5.583 3.685 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.277 5.591 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.094 4.201 2.589 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.545 3.385 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.932 2.903 1.383 1.00 0.00 H new ATOM 868 N MET A 63 -3.920 6.446 0.935 1.00 0.00 N ATOM 869 CA MET A 63 -2.628 7.090 0.726 1.00 0.00 C ATOM 870 C MET A 63 -1.591 6.560 1.711 1.00 0.00 C ATOM 871 O MET A 63 -1.935 6.065 2.785 1.00 0.00 O ATOM 872 CB MET A 63 -2.761 8.607 0.875 1.00 0.00 C ATOM 873 CG MET A 63 -3.677 9.241 -0.160 1.00 0.00 C ATOM 874 SD MET A 63 -3.204 10.935 -0.561 1.00 0.00 S ATOM 875 CE MET A 63 -1.706 10.654 -1.503 1.00 0.00 C ATOM 0 H MET A 63 -4.520 6.913 1.615 1.00 0.00 H new ATOM 0 HA MET A 63 -2.294 6.859 -0.285 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.140 8.834 1.871 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.772 9.059 0.799 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.664 8.639 -1.069 1.00 0.00 H new ATOM 0 HG3 MET A 63 -4.701 9.232 0.213 1.00 0.00 H new ATOM 0 HE1 MET A 63 -0.894 11.247 -1.081 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.443 9.597 -1.461 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.868 10.947 -2.540 1.00 0.00 H new ATOM 885 N LEU A 64 -0.320 6.666 1.338 1.00 0.00 N ATOM 886 CA LEU A 64 0.768 6.197 2.189 1.00 0.00 C ATOM 887 C LEU A 64 1.860 7.256 2.311 1.00 0.00 C ATOM 888 O LEU A 64 2.155 7.971 1.354 1.00 0.00 O ATOM 889 CB LEU A 64 1.359 4.902 1.628 1.00 0.00 C ATOM 890 CG LEU A 64 0.351 3.836 1.198 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.980 2.879 0.198 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.173 3.078 2.409 1.00 0.00 C ATOM 0 H LEU A 64 -0.018 7.072 0.453 1.00 0.00 H new ATOM 0 HA LEU A 64 0.362 6.004 3.182 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.982 5.152 0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.016 4.469 2.382 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.490 4.333 0.714 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.248 2.127 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.304 3.434 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.840 2.389 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.889 2.323 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.657 2.593 2.922 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.663 3.774 3.090 1.00 0.00 H new ATOM 904 N GLY A 65 2.457 7.349 3.495 1.00 0.00 N ATOM 905 CA GLY A 65 3.511 8.322 3.720 1.00 0.00 C ATOM 906 C GLY A 65 3.557 8.806 5.155 1.00 0.00 C ATOM 907 O GLY A 65 2.797 8.351 6.011 1.00 0.00 O ATOM 0 H GLY A 65 2.230 6.768 4.302 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.472 7.879 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.362 9.174 3.057 1.00 0.00 H new ATOM 911 N PRO A 66 4.467 9.750 5.437 1.00 0.00 N ATOM 912 CA PRO A 66 5.376 10.299 4.427 1.00 0.00 C ATOM 913 C PRO A 66 6.423 9.286 3.978 1.00 0.00 C ATOM 914 O PRO A 66 7.122 8.693 4.801 1.00 0.00 O ATOM 915 CB PRO A 66 6.043 11.472 5.150 1.00 0.00 C ATOM 916 CG PRO A 66 5.960 11.122 6.596 1.00 0.00 C ATOM 917 CD PRO A 66 4.678 10.355 6.763 1.00 0.00 C ATOM 0 HA PRO A 66 4.849 10.585 3.517 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.078 11.596 4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.530 12.410 4.940 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.817 10.522 6.902 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.962 12.019 7.215 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.762 9.597 7.542 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.852 11.009 7.042 1.00 0.00 H new ATOM 925 N LEU A 67 6.528 9.091 2.668 1.00 0.00 N ATOM 926 CA LEU A 67 7.491 8.149 2.109 1.00 0.00 C ATOM 927 C LEU A 67 8.714 8.879 1.565 1.00 0.00 C ATOM 928 O LEU A 67 8.801 10.105 1.638 1.00 0.00 O ATOM 929 CB LEU A 67 6.840 7.323 0.997 1.00 0.00 C ATOM 930 CG LEU A 67 5.453 6.757 1.306 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.906 6.001 0.106 1.00 0.00 C ATOM 932 CD2 LEU A 67 5.506 5.854 2.529 1.00 0.00 C ATOM 0 H LEU A 67 5.958 9.573 1.973 1.00 0.00 H new ATOM 0 HA LEU A 67 7.814 7.482 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.766 7.945 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.503 6.493 0.753 1.00 0.00 H new ATOM 0 HG LEU A 67 4.782 7.588 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.919 5.605 0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.830 6.677 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.576 5.178 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.510 5.460 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.192 5.028 2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.854 6.426 3.389 1.00 0.00 H new ATOM 944 N SER A 68 9.657 8.118 1.017 1.00 0.00 N ATOM 945 CA SER A 68 10.877 8.693 0.462 1.00 0.00 C ATOM 946 C SER A 68 10.817 8.725 -1.062 1.00 0.00 C ATOM 947 O SER A 68 9.818 8.330 -1.664 1.00 0.00 O ATOM 948 CB SER A 68 12.097 7.891 0.919 1.00 0.00 C ATOM 949 OG SER A 68 11.972 6.525 0.564 1.00 0.00 O ATOM 0 H SER A 68 9.599 7.102 0.946 1.00 0.00 H new ATOM 0 HA SER A 68 10.966 9.716 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.998 8.306 0.468 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.211 7.980 1.999 1.00 0.00 H new ATOM 0 HG SER A 68 12.574 5.986 1.119 1.00 0.00 H new ATOM 955 N SER A 69 11.894 9.199 -1.680 1.00 0.00 N ATOM 956 CA SER A 69 11.964 9.288 -3.134 1.00 0.00 C ATOM 957 C SER A 69 12.861 8.193 -3.702 1.00 0.00 C ATOM 958 O SER A 69 13.694 7.627 -2.994 1.00 0.00 O ATOM 959 CB SER A 69 12.486 10.662 -3.558 1.00 0.00 C ATOM 960 OG SER A 69 13.736 10.942 -2.950 1.00 0.00 O ATOM 0 H SER A 69 12.730 9.527 -1.197 1.00 0.00 H new ATOM 0 HA SER A 69 10.958 9.152 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.590 10.697 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.764 11.430 -3.282 1.00 0.00 H new ATOM 0 HG SER A 69 14.414 11.079 -3.644 1.00 0.00 H new ATOM 966 N SER A 70 12.684 7.899 -4.986 1.00 0.00 N ATOM 967 CA SER A 70 13.474 6.869 -5.651 1.00 0.00 C ATOM 968 C SER A 70 13.677 5.665 -4.735 1.00 0.00 C ATOM 969 O SER A 70 14.716 5.004 -4.779 1.00 0.00 O ATOM 970 CB SER A 70 14.830 7.433 -6.079 1.00 0.00 C ATOM 971 OG SER A 70 15.586 6.464 -6.784 1.00 0.00 O ATOM 0 H SER A 70 12.000 8.360 -5.587 1.00 0.00 H new ATOM 0 HA SER A 70 12.929 6.543 -6.537 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.680 8.310 -6.708 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.384 7.762 -5.200 1.00 0.00 H new ATOM 0 HG SER A 70 15.539 5.606 -6.313 1.00 0.00 H new ATOM 977 N THR A 71 12.678 5.386 -3.905 1.00 0.00 N ATOM 978 CA THR A 71 12.745 4.264 -2.977 1.00 0.00 C ATOM 979 C THR A 71 11.552 3.331 -3.154 1.00 0.00 C ATOM 980 O THR A 71 10.402 3.742 -3.000 1.00 0.00 O ATOM 981 CB THR A 71 12.793 4.745 -1.515 1.00 0.00 C ATOM 982 OG1 THR A 71 13.887 5.652 -1.333 1.00 0.00 O ATOM 983 CG2 THR A 71 12.940 3.569 -0.562 1.00 0.00 C ATOM 0 H THR A 71 11.812 5.922 -3.856 1.00 0.00 H new ATOM 0 HA THR A 71 13.663 3.722 -3.204 1.00 0.00 H new ATOM 0 HB THR A 71 11.856 5.256 -1.294 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.632 6.541 -1.657 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.972 3.934 0.464 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.091 2.896 -0.682 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.863 3.033 -0.785 1.00 0.00 H new ATOM 991 N THR A 72 11.834 2.073 -3.479 1.00 0.00 N ATOM 992 CA THR A 72 10.784 1.082 -3.677 1.00 0.00 C ATOM 993 C THR A 72 10.212 0.611 -2.344 1.00 0.00 C ATOM 994 O THR A 72 10.942 0.117 -1.485 1.00 0.00 O ATOM 995 CB THR A 72 11.304 -0.139 -4.459 1.00 0.00 C ATOM 996 OG1 THR A 72 11.904 0.286 -5.688 1.00 0.00 O ATOM 997 CG2 THR A 72 10.175 -1.116 -4.751 1.00 0.00 C ATOM 0 H THR A 72 12.781 1.717 -3.611 1.00 0.00 H new ATOM 0 HA THR A 72 9.998 1.567 -4.255 1.00 0.00 H new ATOM 0 HB THR A 72 12.051 -0.644 -3.846 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.221 0.691 -6.262 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.567 -1.970 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.740 -1.460 -3.813 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.409 -0.619 -5.346 1.00 0.00 H new ATOM 1005 N TYR A 73 8.904 0.768 -2.179 1.00 0.00 N ATOM 1006 CA TYR A 73 8.235 0.360 -0.949 1.00 0.00 C ATOM 1007 C TYR A 73 7.196 -0.722 -1.227 1.00 0.00 C ATOM 1008 O TYR A 73 6.350 -0.576 -2.110 1.00 0.00 O ATOM 1009 CB TYR A 73 7.567 1.565 -0.283 1.00 0.00 C ATOM 1010 CG TYR A 73 8.474 2.308 0.671 1.00 0.00 C ATOM 1011 CD1 TYR A 73 9.482 3.140 0.198 1.00 0.00 C ATOM 1012 CD2 TYR A 73 8.324 2.179 2.046 1.00 0.00 C ATOM 1013 CE1 TYR A 73 10.313 3.821 1.066 1.00 0.00 C ATOM 1014 CE2 TYR A 73 9.149 2.858 2.922 1.00 0.00 C ATOM 1015 CZ TYR A 73 10.142 3.677 2.427 1.00 0.00 C ATOM 1016 OH TYR A 73 10.968 4.353 3.296 1.00 0.00 O ATOM 0 H TYR A 73 8.286 1.175 -2.881 1.00 0.00 H new ATOM 0 HA TYR A 73 8.987 -0.049 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 73 7.224 2.253 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.683 1.227 0.258 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.618 3.256 -0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.549 1.537 2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.092 4.462 0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 73 9.017 2.748 3.988 1.00 0.00 H new ATOM 0 HH TYR A 73 10.714 4.143 4.219 1.00 0.00 H new ATOM 1026 N THR A 74 7.265 -1.810 -0.465 1.00 0.00 N ATOM 1027 CA THR A 74 6.333 -2.917 -0.628 1.00 0.00 C ATOM 1028 C THR A 74 5.067 -2.696 0.193 1.00 0.00 C ATOM 1029 O THR A 74 5.115 -2.637 1.421 1.00 0.00 O ATOM 1030 CB THR A 74 6.972 -4.256 -0.213 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.257 -4.397 -0.831 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.083 -5.426 -0.607 1.00 0.00 C ATOM 0 H THR A 74 7.958 -1.947 0.271 1.00 0.00 H new ATOM 0 HA THR A 74 6.075 -2.958 -1.686 1.00 0.00 H new ATOM 0 HB THR A 74 7.088 -4.258 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.658 -5.250 -0.561 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.555 -6.360 -0.304 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.116 -5.331 -0.113 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.940 -5.426 -1.688 1.00 0.00 H new ATOM 1040 N VAL A 75 3.935 -2.575 -0.494 1.00 0.00 N ATOM 1041 CA VAL A 75 2.656 -2.362 0.172 1.00 0.00 C ATOM 1042 C VAL A 75 1.869 -3.663 0.279 1.00 0.00 C ATOM 1043 O VAL A 75 2.005 -4.554 -0.560 1.00 0.00 O ATOM 1044 CB VAL A 75 1.803 -1.318 -0.572 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.457 -1.141 0.114 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.543 0.008 -0.663 1.00 0.00 C ATOM 0 H VAL A 75 3.878 -2.621 -1.511 1.00 0.00 H new ATOM 0 HA VAL A 75 2.878 -1.992 1.173 1.00 0.00 H new ATOM 0 HB VAL A 75 1.623 -1.677 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.132 -0.399 -0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.076 -2.092 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.612 -0.804 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.925 0.734 -1.192 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.756 0.376 0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.479 -0.134 -1.203 1.00 0.00 H new ATOM 1056 N ARG A 76 1.044 -3.766 1.316 1.00 0.00 N ATOM 1057 CA ARG A 76 0.235 -4.959 1.533 1.00 0.00 C ATOM 1058 C ARG A 76 -1.193 -4.584 1.918 1.00 0.00 C ATOM 1059 O ARG A 76 -1.430 -3.998 2.974 1.00 0.00 O ATOM 1060 CB ARG A 76 0.856 -5.831 2.626 1.00 0.00 C ATOM 1061 CG ARG A 76 1.664 -7.000 2.087 1.00 0.00 C ATOM 1062 CD ARG A 76 3.070 -6.572 1.695 1.00 0.00 C ATOM 1063 NE ARG A 76 3.887 -7.703 1.265 1.00 0.00 N ATOM 1064 CZ ARG A 76 4.320 -8.652 2.087 1.00 0.00 C ATOM 1065 NH1 ARG A 76 4.014 -8.606 3.377 1.00 0.00 N ATOM 1066 NH2 ARG A 76 5.059 -9.650 1.621 1.00 0.00 N ATOM 0 H ARG A 76 0.918 -3.038 2.019 1.00 0.00 H new ATOM 0 HA ARG A 76 0.207 -5.523 0.600 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.500 -5.212 3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.063 -6.214 3.268 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.718 -7.785 2.842 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.157 -7.425 1.221 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.014 -5.839 0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.549 -6.081 2.542 1.00 0.00 H new ATOM 0 HE ARG A 76 4.139 -7.768 0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 76 3.445 -7.841 3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.348 -9.336 4.007 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.296 -9.690 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 76 5.391 -10.378 2.254 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.143 -4.926 1.052 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.548 -4.626 1.301 1.00 0.00 C ATOM 1082 C VAL A 77 -4.296 -5.863 1.784 1.00 0.00 C ATOM 1083 O VAL A 77 -4.718 -6.699 0.985 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.238 -4.084 0.035 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.646 -3.607 0.358 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.415 -2.963 -0.582 1.00 0.00 C ATOM 0 H VAL A 77 -1.965 -5.411 0.172 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.577 -3.861 2.077 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.311 -4.892 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.118 -3.227 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.231 -4.439 0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.599 -2.813 1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.917 -2.592 -1.475 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.308 -2.151 0.138 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.429 -3.341 -0.851 1.00 0.00 H new ATOM 1096 N THR A 78 -4.459 -5.973 3.099 1.00 0.00 N ATOM 1097 CA THR A 78 -5.156 -7.108 3.691 1.00 0.00 C ATOM 1098 C THR A 78 -6.651 -6.836 3.805 1.00 0.00 C ATOM 1099 O THR A 78 -7.078 -5.975 4.576 1.00 0.00 O ATOM 1100 CB THR A 78 -4.599 -7.444 5.087 1.00 0.00 C ATOM 1101 OG1 THR A 78 -3.167 -7.428 5.060 1.00 0.00 O ATOM 1102 CG2 THR A 78 -5.088 -8.808 5.551 1.00 0.00 C ATOM 0 H THR A 78 -4.117 -5.289 3.774 1.00 0.00 H new ATOM 0 HA THR A 78 -4.993 -7.959 3.029 1.00 0.00 H new ATOM 0 HB THR A 78 -4.957 -6.690 5.788 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.821 -7.641 5.952 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.682 -9.023 6.539 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.177 -8.807 5.599 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.756 -9.572 4.848 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.443 -7.574 3.035 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.892 -7.412 3.049 1.00 0.00 C ATOM 1112 C CYS A 79 -9.544 -8.430 3.979 1.00 0.00 C ATOM 1113 O CYS A 79 -9.817 -9.563 3.583 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.457 -7.559 1.636 1.00 0.00 C ATOM 1115 SG CYS A 79 -8.951 -6.248 0.498 1.00 0.00 S ATOM 0 H CYS A 79 -7.105 -8.291 2.393 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.117 -6.412 3.420 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.143 -8.520 1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.545 -7.577 1.692 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.477 -6.461 -0.671 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.788 -8.019 5.219 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.407 -8.896 6.207 1.00 0.00 C ATOM 1123 C LEU A 80 -11.884 -9.111 5.896 1.00 0.00 C ATOM 1124 O LEU A 80 -12.701 -8.202 6.053 1.00 0.00 O ATOM 1125 CB LEU A 80 -10.250 -8.306 7.610 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.935 -8.619 8.326 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.737 -10.122 8.447 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.764 -7.982 7.592 1.00 0.00 C ATOM 0 H LEU A 80 -9.567 -7.085 5.564 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.903 -9.861 6.166 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -10.354 -7.223 7.541 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -11.072 -8.667 8.228 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.981 -8.198 9.330 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.796 -10.325 8.959 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.560 -10.553 9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.712 -10.567 7.452 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.837 -8.215 8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.715 -8.373 6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.900 -6.901 7.559 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.221 -10.318 5.457 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.601 -10.652 5.123 1.00 0.00 C ATOM 1142 C TYR A 81 -14.388 -11.028 6.375 1.00 0.00 C ATOM 1143 O TYR A 81 -13.861 -11.620 7.317 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.640 -11.805 4.118 1.00 0.00 C ATOM 1145 CG TYR A 81 -12.822 -11.549 2.872 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -12.888 -10.328 2.213 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -11.984 -12.529 2.355 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.143 -10.091 1.074 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.234 -12.300 1.217 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.318 -11.079 0.580 1.00 0.00 C ATOM 1151 OH TYR A 81 -10.573 -10.846 -0.554 1.00 0.00 O ATOM 0 H TYR A 81 -11.558 -11.082 5.324 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.063 -9.772 4.675 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.275 -12.711 4.602 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.675 -11.991 3.831 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.532 -9.551 2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.917 -13.486 2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.207 -9.136 0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.586 -13.072 0.829 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.045 -11.643 -0.768 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.683 -10.676 6.386 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.572 -10.966 7.515 1.00 0.00 C ATOM 1163 C PRO A 82 -16.874 -12.455 7.646 1.00 0.00 C ATOM 1164 O PRO A 82 -17.293 -12.922 8.705 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.846 -10.190 7.171 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.827 -10.069 5.686 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.377 -9.968 5.298 1.00 0.00 C ATOM 0 HA PRO A 82 -16.127 -10.681 8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.736 -10.718 7.514 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.853 -9.210 7.648 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.297 -10.934 5.218 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.381 -9.189 5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.187 -10.433 4.331 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.052 -8.930 5.223 1.00 0.00 H new ATOM 1207 N SER A 87 -7.405 -12.125 2.122 1.00 0.00 N ATOM 1208 CA SER A 87 -6.309 -12.064 1.162 1.00 0.00 C ATOM 1209 C SER A 87 -5.454 -10.822 1.394 1.00 0.00 C ATOM 1210 O SER A 87 -5.891 -9.861 2.028 1.00 0.00 O ATOM 1211 CB SER A 87 -6.854 -12.063 -0.267 1.00 0.00 C ATOM 1212 OG SER A 87 -7.061 -13.384 -0.735 1.00 0.00 O ATOM 0 HA SER A 87 -5.684 -12.946 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.793 -11.511 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.156 -11.546 -0.925 1.00 0.00 H new ATOM 0 HG SER A 87 -7.411 -13.356 -1.650 1.00 0.00 H new ATOM 1218 N THR A 88 -4.231 -10.848 0.874 1.00 0.00 N ATOM 1219 CA THR A 88 -3.313 -9.726 1.023 1.00 0.00 C ATOM 1220 C THR A 88 -2.814 -9.238 -0.332 1.00 0.00 C ATOM 1221 O THR A 88 -1.879 -9.803 -0.901 1.00 0.00 O ATOM 1222 CB THR A 88 -2.101 -10.104 1.897 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.546 -10.733 3.104 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.273 -8.873 2.235 1.00 0.00 C ATOM 0 H THR A 88 -3.853 -11.634 0.346 1.00 0.00 H new ATOM 0 HA THR A 88 -3.870 -8.926 1.511 1.00 0.00 H new ATOM 0 HB THR A 88 -1.477 -10.798 1.335 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.771 -10.972 3.653 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.423 -9.164 2.852 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.912 -8.413 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.889 -8.158 2.780 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.443 -8.187 -0.845 1.00 0.00 N ATOM 1233 CA LEU A 89 -3.063 -7.622 -2.136 1.00 0.00 C ATOM 1234 C LEU A 89 -1.943 -6.599 -1.973 1.00 0.00 C ATOM 1235 O LEU A 89 -2.182 -5.457 -1.578 1.00 0.00 O ATOM 1236 CB LEU A 89 -4.273 -6.968 -2.805 1.00 0.00 C ATOM 1237 CG LEU A 89 -5.256 -7.919 -3.490 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.633 -7.282 -3.590 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.746 -8.311 -4.869 1.00 0.00 C ATOM 0 H LEU A 89 -4.219 -7.708 -0.387 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.701 -8.433 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.816 -6.397 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.912 -6.255 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.339 -8.822 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.319 -7.973 -4.080 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.001 -7.053 -2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.567 -6.363 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.458 -8.988 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.633 -7.417 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.781 -8.809 -4.772 1.00 0.00 H new ATOM 1251 N THR A 90 -0.719 -7.015 -2.283 1.00 0.00 N ATOM 1252 CA THR A 90 0.438 -6.135 -2.173 1.00 0.00 C ATOM 1253 C THR A 90 0.788 -5.516 -3.521 1.00 0.00 C ATOM 1254 O THR A 90 0.422 -6.042 -4.571 1.00 0.00 O ATOM 1255 CB THR A 90 1.667 -6.889 -1.633 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.863 -6.360 -2.217 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.566 -8.377 -1.935 1.00 0.00 C ATOM 0 H THR A 90 -0.503 -7.956 -2.612 1.00 0.00 H new ATOM 0 HA THR A 90 0.169 -5.345 -1.472 1.00 0.00 H new ATOM 0 HB THR A 90 1.700 -6.755 -0.552 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.059 -5.484 -1.824 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.446 -8.888 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 90 0.671 -8.784 -1.465 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.509 -8.526 -3.013 1.00 0.00 H new ATOM 1265 N GLY A 91 1.500 -4.393 -3.485 1.00 0.00 N ATOM 1266 CA GLY A 91 1.888 -3.721 -4.711 1.00 0.00 C ATOM 1267 C GLY A 91 3.114 -2.848 -4.530 1.00 0.00 C ATOM 1268 O GLY A 91 3.145 -1.982 -3.656 1.00 0.00 O ATOM 0 H GLY A 91 1.815 -3.937 -2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.086 -4.465 -5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.058 -3.109 -5.064 1.00 0.00 H new ATOM 1272 N ARG A 92 4.128 -3.077 -5.358 1.00 0.00 N ATOM 1273 CA ARG A 92 5.364 -2.307 -5.284 1.00 0.00 C ATOM 1274 C ARG A 92 5.225 -0.982 -6.029 1.00 0.00 C ATOM 1275 O ARG A 92 4.881 -0.956 -7.211 1.00 0.00 O ATOM 1276 CB ARG A 92 6.527 -3.112 -5.866 1.00 0.00 C ATOM 1277 CG ARG A 92 6.922 -4.311 -5.019 1.00 0.00 C ATOM 1278 CD ARG A 92 8.237 -4.914 -5.487 1.00 0.00 C ATOM 1279 NE ARG A 92 8.651 -6.039 -4.653 1.00 0.00 N ATOM 1280 CZ ARG A 92 9.743 -6.760 -4.881 1.00 0.00 C ATOM 1281 NH1 ARG A 92 10.527 -6.475 -5.911 1.00 0.00 N ATOM 1282 NH2 ARG A 92 10.053 -7.769 -4.076 1.00 0.00 N ATOM 0 H ARG A 92 4.118 -3.789 -6.088 1.00 0.00 H new ATOM 0 HA ARG A 92 5.568 -2.094 -4.235 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.256 -3.456 -6.864 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.391 -2.457 -5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 92 7.010 -4.008 -3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.137 -5.066 -5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.136 -5.247 -6.520 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.012 -4.148 -5.473 1.00 0.00 H new ATOM 0 HE ARG A 92 8.070 -6.285 -3.852 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.292 -5.700 -6.531 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.365 -7.031 -6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.452 -7.991 -3.282 1.00 0.00 H new ATOM 0 HH22 ARG A 92 10.892 -8.322 -4.252 1.00 0.00 H new ATOM 1296 N VAL A 93 5.493 0.115 -5.329 1.00 0.00 N ATOM 1297 CA VAL A 93 5.398 1.443 -5.923 1.00 0.00 C ATOM 1298 C VAL A 93 6.668 2.249 -5.674 1.00 0.00 C ATOM 1299 O VAL A 93 6.978 2.605 -4.536 1.00 0.00 O ATOM 1300 CB VAL A 93 4.191 2.222 -5.367 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.273 2.324 -3.852 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.112 3.604 -5.999 1.00 0.00 C ATOM 0 H VAL A 93 5.778 0.111 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 93 5.266 1.301 -6.996 1.00 0.00 H new ATOM 0 HB VAL A 93 3.281 1.678 -5.622 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.412 2.878 -3.477 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.277 1.323 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.189 2.844 -3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.254 4.140 -5.595 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.024 4.158 -5.777 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.002 3.505 -7.079 1.00 0.00 H new ATOM 1312 N THR A 94 7.401 2.536 -6.745 1.00 0.00 N ATOM 1313 CA THR A 94 8.638 3.299 -6.643 1.00 0.00 C ATOM 1314 C THR A 94 8.357 4.796 -6.583 1.00 0.00 C ATOM 1315 O THR A 94 7.953 5.403 -7.576 1.00 0.00 O ATOM 1316 CB THR A 94 9.575 3.012 -7.831 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.940 1.627 -7.843 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.828 3.871 -7.752 1.00 0.00 C ATOM 0 H THR A 94 7.159 2.251 -7.694 1.00 0.00 H new ATOM 0 HA THR A 94 9.127 2.986 -5.720 1.00 0.00 H new ATOM 0 HB THR A 94 9.044 3.256 -8.751 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.535 1.452 -8.602 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.474 3.651 -8.602 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.549 4.924 -7.772 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.360 3.654 -6.826 1.00 0.00 H new ATOM 1326 N THR A 95 8.573 5.388 -5.412 1.00 0.00 N ATOM 1327 CA THR A 95 8.343 6.815 -5.223 1.00 0.00 C ATOM 1328 C THR A 95 9.135 7.638 -6.231 1.00 0.00 C ATOM 1329 O THR A 95 10.199 7.221 -6.691 1.00 0.00 O ATOM 1330 CB THR A 95 8.724 7.261 -3.799 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.906 6.575 -3.371 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.590 6.985 -2.823 1.00 0.00 C ATOM 0 H THR A 95 8.907 4.901 -4.580 1.00 0.00 H new ATOM 0 HA THR A 95 7.278 6.987 -5.376 1.00 0.00 H new ATOM 0 HB THR A 95 8.913 8.334 -3.817 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.045 6.729 -2.413 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.883 7.308 -1.824 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.700 7.532 -3.135 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.373 5.917 -2.809 1.00 0.00 H new ATOM 1340 N LYS A 96 8.613 8.811 -6.572 1.00 0.00 N ATOM 1341 CA LYS A 96 9.272 9.696 -7.524 1.00 0.00 C ATOM 1342 C LYS A 96 10.534 10.303 -6.920 1.00 0.00 C ATOM 1343 O LYS A 96 10.730 10.271 -5.705 1.00 0.00 O ATOM 1344 CB LYS A 96 8.318 10.810 -7.963 1.00 0.00 C ATOM 1345 CG LYS A 96 6.942 10.308 -8.365 1.00 0.00 C ATOM 1346 CD LYS A 96 6.250 11.276 -9.310 1.00 0.00 C ATOM 1347 CE LYS A 96 5.312 10.550 -10.262 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.356 11.485 -10.919 1.00 0.00 N ATOM 0 H LYS A 96 7.733 9.171 -6.202 1.00 0.00 H new ATOM 0 HA LYS A 96 9.555 9.104 -8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.211 11.527 -7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.760 11.346 -8.803 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.035 9.334 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.330 10.168 -7.474 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.688 12.010 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.998 11.825 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.896 10.033 -11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.757 9.788 -9.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.734 10.952 -11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.781 11.960 -10.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.885 12.197 -11.462 1.00 0.00 H new ATOM 1362 N LYS A 97 11.388 10.856 -7.775 1.00 0.00 N ATOM 1363 CA LYS A 97 12.630 11.472 -7.326 1.00 0.00 C ATOM 1364 C LYS A 97 12.362 12.827 -6.678 1.00 0.00 C ATOM 1365 O LYS A 97 11.614 13.645 -7.213 1.00 0.00 O ATOM 1366 CB LYS A 97 13.595 11.640 -8.502 1.00 0.00 C ATOM 1367 CG LYS A 97 14.444 10.410 -8.773 1.00 0.00 C ATOM 1368 CD LYS A 97 15.557 10.708 -9.764 1.00 0.00 C ATOM 1369 CE LYS A 97 16.215 9.431 -10.262 1.00 0.00 C ATOM 1370 NZ LYS A 97 17.365 9.029 -9.405 1.00 0.00 N ATOM 0 H LYS A 97 11.242 10.890 -8.784 1.00 0.00 H new ATOM 0 HA LYS A 97 13.083 10.816 -6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.024 11.881 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.251 12.488 -8.304 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.874 10.051 -7.838 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.814 9.610 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.153 11.265 -10.610 1.00 0.00 H new ATOM 0 HD3 LYS A 97 16.306 11.344 -9.292 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.479 8.627 -10.282 1.00 0.00 H new ATOM 0 HE3 LYS A 97 16.558 9.575 -11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.786 8.154 -9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.079 9.785 -9.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.033 8.867 -8.433 1.00 0.00 H new ATOM 1384 N ALA A 98 12.978 13.058 -5.523 1.00 0.00 N ATOM 1385 CA ALA A 98 12.809 14.314 -4.804 1.00 0.00 C ATOM 1386 C ALA A 98 13.450 15.471 -5.563 1.00 0.00 C ATOM 1387 O ALA A 98 14.514 15.336 -6.167 1.00 0.00 O ATOM 1388 CB ALA A 98 13.398 14.206 -3.406 1.00 0.00 C ATOM 0 H ALA A 98 13.599 12.391 -5.065 1.00 0.00 H new ATOM 0 HA ALA A 98 11.741 14.516 -4.721 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.264 15.152 -2.881 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.891 13.412 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.461 13.977 -3.476 1.00 0.00 H new