USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 610 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 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 GLN : amide:sc= -6.48! C(o=-6.5!,f=-12!) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.202 K(o=-0.13,f=-1.6!) USER MOD Set 2.2: A 51 GLN :FLIP amide:sc= 0.0691 F(o=-2,f=-0.13) USER MOD Set 2.3: A 68 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 20 SER OG : rot -14:sc= 0.598! USER MOD Set 3.2: A 22 THR OG1 : rot -44:sc= 0.0474 USER MOD Set 3.3: A 64 GLN :FLIP amide:sc= 0.0452 F(o=-0.61,f=0.69) USER MOD Single : A 16 SER OG : rot -50:sc= 0.214 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -7.02 K(o=-7,f=-9.2!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -0.0345 (180deg=-0.275) USER MOD Single : A 40 THR OG1 : rot 81:sc= 0.216 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -2.53 F(o=-4.7!,f=-2.5) USER MOD Single : A 59 ASN : amide:sc= -0.0407 X(o=-0.041,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN :FLIP amide:sc= -2.61 F(o=-3.1!,f=-2.6) USER MOD Single : A 74 THR OG1 : rot -168:sc= 0.239 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 2.143 -12.979 10.895 1.00 0.00 N ATOM 160 CA LEU A 14 2.022 -12.540 9.510 1.00 0.00 C ATOM 161 C LEU A 14 1.036 -11.383 9.389 1.00 0.00 C ATOM 162 O LEU A 14 1.334 -10.362 8.769 1.00 0.00 O ATOM 163 CB LEU A 14 1.571 -13.703 8.624 1.00 0.00 C ATOM 164 CG LEU A 14 2.418 -14.975 8.702 1.00 0.00 C ATOM 165 CD1 LEU A 14 1.570 -16.199 8.396 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.599 -14.888 7.747 1.00 0.00 C ATOM 0 HA LEU A 14 3.001 -12.195 9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.544 -13.957 8.888 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.559 -13.361 7.589 1.00 0.00 H new ATOM 0 HG LEU A 14 2.804 -15.071 9.717 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.189 -17.094 8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.758 -16.270 9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.154 -16.112 7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.190 -15.801 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.234 -14.768 6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.220 -14.033 8.013 1.00 0.00 H new ATOM 178 N ARG A 15 -0.138 -11.547 9.990 1.00 0.00 N ATOM 179 CA ARG A 15 -1.168 -10.516 9.951 1.00 0.00 C ATOM 180 C ARG A 15 -0.673 -9.229 10.606 1.00 0.00 C ATOM 181 O ARG A 15 -1.176 -8.142 10.320 1.00 0.00 O ATOM 182 CB ARG A 15 -2.435 -11.004 10.654 1.00 0.00 C ATOM 183 CG ARG A 15 -2.247 -11.262 12.140 1.00 0.00 C ATOM 184 CD ARG A 15 -3.580 -11.447 12.847 1.00 0.00 C ATOM 185 NE ARG A 15 -4.184 -10.171 13.221 1.00 0.00 N ATOM 186 CZ ARG A 15 -5.324 -10.067 13.896 1.00 0.00 C ATOM 187 NH1 ARG A 15 -5.978 -11.156 14.270 1.00 0.00 N ATOM 188 NH2 ARG A 15 -5.809 -8.870 14.200 1.00 0.00 N ATOM 0 H ARG A 15 -0.400 -12.385 10.510 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.399 -10.307 8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.223 -10.263 10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.775 -11.922 10.175 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.633 -12.151 12.281 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.708 -10.428 12.590 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.262 -11.994 12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.435 -12.055 13.740 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.705 -9.313 12.949 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.607 -12.078 14.040 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.853 -11.073 14.788 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.307 -8.029 13.916 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -6.684 -8.791 14.718 1.00 0.00 H new ATOM 202 N SER A 16 0.315 -9.361 11.485 1.00 0.00 N ATOM 203 CA SER A 16 0.875 -8.210 12.183 1.00 0.00 C ATOM 204 C SER A 16 2.059 -7.632 11.416 1.00 0.00 C ATOM 205 O SER A 16 2.884 -6.909 11.975 1.00 0.00 O ATOM 206 CB SER A 16 1.314 -8.607 13.595 1.00 0.00 C ATOM 207 OG SER A 16 1.486 -7.464 14.415 1.00 0.00 O ATOM 0 H SER A 16 0.744 -10.253 11.731 1.00 0.00 H new ATOM 0 HA SER A 16 0.100 -7.446 12.251 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.569 -9.268 14.038 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.248 -9.167 13.545 1.00 0.00 H new ATOM 0 HG SER A 16 2.055 -6.813 13.953 1.00 0.00 H new ATOM 213 N PHE A 17 2.138 -7.956 10.129 1.00 0.00 N ATOM 214 CA PHE A 17 3.221 -7.470 9.283 1.00 0.00 C ATOM 215 C PHE A 17 2.924 -6.063 8.772 1.00 0.00 C ATOM 216 O PHE A 17 1.920 -5.835 8.095 1.00 0.00 O ATOM 217 CB PHE A 17 3.438 -8.418 8.101 1.00 0.00 C ATOM 218 CG PHE A 17 4.154 -7.781 6.945 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.467 -6.986 6.042 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.513 -7.976 6.760 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.122 -6.398 4.977 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.173 -7.391 5.696 1.00 0.00 C ATOM 223 CZ PHE A 17 5.477 -6.600 4.804 1.00 0.00 C ATOM 0 H PHE A 17 1.464 -8.553 9.650 1.00 0.00 H new ATOM 0 HA PHE A 17 4.129 -7.435 9.884 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.009 -9.283 8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.471 -8.788 7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.407 -6.824 6.172 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.063 -8.592 7.455 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.574 -5.781 4.280 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.232 -7.553 5.562 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.991 -6.140 3.973 1.00 0.00 H new ATOM 233 N LYS A 18 3.802 -5.122 9.101 1.00 0.00 N ATOM 234 CA LYS A 18 3.636 -3.738 8.677 1.00 0.00 C ATOM 235 C LYS A 18 4.692 -3.354 7.646 1.00 0.00 C ATOM 236 O LYS A 18 5.892 -3.415 7.918 1.00 0.00 O ATOM 237 CB LYS A 18 3.721 -2.799 9.883 1.00 0.00 C ATOM 238 CG LYS A 18 3.063 -1.450 9.650 1.00 0.00 C ATOM 239 CD LYS A 18 3.739 -0.354 10.459 1.00 0.00 C ATOM 240 CE LYS A 18 4.901 0.264 9.698 1.00 0.00 C ATOM 241 NZ LYS A 18 5.577 1.331 10.489 1.00 0.00 N ATOM 0 H LYS A 18 4.637 -5.294 9.661 1.00 0.00 H new ATOM 0 HA LYS A 18 2.652 -3.641 8.217 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.251 -3.280 10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.769 -2.643 10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.107 -1.201 8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.009 -1.506 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.011 0.419 10.705 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.098 -0.765 11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.623 -0.512 9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.539 0.682 8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.363 1.728 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.895 2.084 10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.945 0.927 11.374 1.00 0.00 H new ATOM 255 N LEU A 19 4.239 -2.959 6.461 1.00 0.00 N ATOM 256 CA LEU A 19 5.146 -2.563 5.389 1.00 0.00 C ATOM 257 C LEU A 19 5.075 -1.060 5.142 1.00 0.00 C ATOM 258 O LEU A 19 4.033 -0.436 5.346 1.00 0.00 O ATOM 259 CB LEU A 19 4.807 -3.319 4.103 1.00 0.00 C ATOM 260 CG LEU A 19 5.463 -2.797 2.824 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.914 -3.247 2.746 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.692 -3.266 1.599 1.00 0.00 C ATOM 0 H LEU A 19 3.250 -2.904 6.218 1.00 0.00 H new ATOM 0 HA LEU A 19 6.162 -2.814 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.092 -4.363 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.726 -3.298 3.967 1.00 0.00 H new ATOM 0 HG LEU A 19 5.442 -1.707 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.364 -2.866 1.829 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.461 -2.862 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.958 -4.336 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.173 -2.885 0.698 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.681 -4.356 1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.669 -2.894 1.649 1.00 0.00 H new ATOM 274 N SER A 20 6.188 -0.484 4.699 1.00 0.00 N ATOM 275 CA SER A 20 6.252 0.947 4.424 1.00 0.00 C ATOM 276 C SER A 20 6.652 1.205 2.975 1.00 0.00 C ATOM 277 O SER A 20 7.758 0.868 2.554 1.00 0.00 O ATOM 278 CB SER A 20 7.248 1.624 5.369 1.00 0.00 C ATOM 279 OG SER A 20 8.549 1.645 4.808 1.00 0.00 O ATOM 0 H SER A 20 7.058 -0.986 4.523 1.00 0.00 H new ATOM 0 HA SER A 20 5.260 1.369 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.922 2.643 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.268 1.095 6.322 1.00 0.00 H new ATOM 0 HG SER A 20 8.587 1.029 4.047 1.00 0.00 H new ATOM 285 N VAL A 21 5.742 1.806 2.215 1.00 0.00 N ATOM 286 CA VAL A 21 5.999 2.111 0.812 1.00 0.00 C ATOM 287 C VAL A 21 6.528 3.531 0.647 1.00 0.00 C ATOM 288 O VAL A 21 5.927 4.491 1.133 1.00 0.00 O ATOM 289 CB VAL A 21 4.727 1.947 -0.040 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.069 1.971 -1.522 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.002 0.660 0.327 1.00 0.00 C ATOM 0 H VAL A 21 4.821 2.091 2.547 1.00 0.00 H new ATOM 0 HA VAL A 21 6.752 1.403 0.467 1.00 0.00 H new ATOM 0 HB VAL A 21 4.061 2.785 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.157 1.854 -2.108 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.541 2.922 -1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.755 1.155 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.105 0.560 -0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.659 -0.191 0.149 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.721 0.688 1.380 1.00 0.00 H new ATOM 301 N THR A 22 7.657 3.660 -0.043 1.00 0.00 N ATOM 302 CA THR A 22 8.268 4.963 -0.274 1.00 0.00 C ATOM 303 C THR A 22 7.728 5.607 -1.545 1.00 0.00 C ATOM 304 O THR A 22 8.157 5.277 -2.651 1.00 0.00 O ATOM 305 CB THR A 22 9.801 4.853 -0.379 1.00 0.00 C ATOM 306 OG1 THR A 22 10.304 4.006 0.661 1.00 0.00 O ATOM 307 CG2 THR A 22 10.450 6.225 -0.279 1.00 0.00 C ATOM 0 H THR A 22 8.167 2.877 -0.452 1.00 0.00 H new ATOM 0 HA THR A 22 8.013 5.588 0.582 1.00 0.00 H new ATOM 0 HB THR A 22 10.046 4.422 -1.350 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.868 4.235 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.532 6.122 -0.356 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.088 6.859 -1.088 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.196 6.679 0.679 1.00 0.00 H new ATOM 315 N VAL A 23 6.784 6.528 -1.381 1.00 0.00 N ATOM 316 CA VAL A 23 6.186 7.221 -2.516 1.00 0.00 C ATOM 317 C VAL A 23 5.890 8.678 -2.177 1.00 0.00 C ATOM 318 O VAL A 23 5.192 8.971 -1.206 1.00 0.00 O ATOM 319 CB VAL A 23 4.882 6.536 -2.968 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.185 7.366 -4.035 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.168 5.130 -3.476 1.00 0.00 C ATOM 0 H VAL A 23 6.417 6.812 -0.473 1.00 0.00 H new ATOM 0 HA VAL A 23 6.911 7.180 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 23 4.215 6.459 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.266 6.866 -4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.946 8.350 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.843 7.477 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.236 4.660 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.853 5.181 -4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.620 4.540 -2.679 1.00 0.00 H new ATOM 331 N ASP A 24 6.427 9.587 -2.984 1.00 0.00 N ATOM 332 CA ASP A 24 6.220 11.015 -2.772 1.00 0.00 C ATOM 333 C ASP A 24 4.790 11.295 -2.316 1.00 0.00 C ATOM 334 O ASP A 24 3.836 10.649 -2.751 1.00 0.00 O ATOM 335 CB ASP A 24 6.521 11.792 -4.054 1.00 0.00 C ATOM 336 CG ASP A 24 7.981 12.186 -4.163 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.554 12.626 -3.145 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.550 12.054 -5.268 1.00 0.00 O ATOM 0 H ASP A 24 7.009 9.360 -3.791 1.00 0.00 H new ATOM 0 HA ASP A 24 6.903 11.344 -1.989 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.246 11.185 -4.916 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.902 12.689 -4.086 1.00 0.00 H new ATOM 343 N PRO A 25 4.638 12.280 -1.418 1.00 0.00 N ATOM 344 CA PRO A 25 3.329 12.667 -0.883 1.00 0.00 C ATOM 345 C PRO A 25 2.455 13.352 -1.929 1.00 0.00 C ATOM 346 O PRO A 25 1.330 13.759 -1.642 1.00 0.00 O ATOM 347 CB PRO A 25 3.680 13.642 0.242 1.00 0.00 C ATOM 348 CG PRO A 25 5.009 14.199 -0.139 1.00 0.00 C ATOM 349 CD PRO A 25 5.731 13.090 -0.856 1.00 0.00 C ATOM 0 HA PRO A 25 2.752 11.803 -0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.932 14.429 0.331 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.725 13.135 1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.897 15.072 -0.782 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.564 14.521 0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.387 13.476 -1.636 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.353 12.509 -0.175 1.00 0.00 H new ATOM 357 N LYS A 26 2.980 13.474 -3.143 1.00 0.00 N ATOM 358 CA LYS A 26 2.248 14.108 -4.234 1.00 0.00 C ATOM 359 C LYS A 26 1.327 13.107 -4.925 1.00 0.00 C ATOM 360 O LYS A 26 0.211 13.446 -5.319 1.00 0.00 O ATOM 361 CB LYS A 26 3.222 14.707 -5.250 1.00 0.00 C ATOM 362 CG LYS A 26 3.617 13.743 -6.355 1.00 0.00 C ATOM 363 CD LYS A 26 4.497 14.416 -7.395 1.00 0.00 C ATOM 364 CE LYS A 26 5.971 14.308 -7.032 1.00 0.00 C ATOM 365 NZ LYS A 26 6.759 15.450 -7.570 1.00 0.00 N ATOM 0 H LYS A 26 3.910 13.142 -3.397 1.00 0.00 H new ATOM 0 HA LYS A 26 1.637 14.906 -3.812 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.769 15.592 -5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.121 15.037 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.146 12.893 -5.925 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.720 13.351 -6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.327 13.958 -8.369 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.219 15.466 -7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.076 14.273 -5.948 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.374 13.373 -7.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.758 15.340 -7.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.679 15.469 -8.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.391 16.341 -7.178 1.00 0.00 H new ATOM 379 N TYR A 27 1.801 11.874 -5.067 1.00 0.00 N ATOM 380 CA TYR A 27 1.020 10.826 -5.711 1.00 0.00 C ATOM 381 C TYR A 27 0.116 10.123 -4.704 1.00 0.00 C ATOM 382 O TYR A 27 -0.869 9.483 -5.075 1.00 0.00 O ATOM 383 CB TYR A 27 1.948 9.807 -6.377 1.00 0.00 C ATOM 384 CG TYR A 27 2.914 10.423 -7.365 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.493 11.395 -8.263 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.247 10.034 -7.397 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.372 11.960 -9.167 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.134 10.594 -8.296 1.00 0.00 C ATOM 389 CZ TYR A 27 4.691 11.556 -9.180 1.00 0.00 C ATOM 390 OH TYR A 27 5.570 12.117 -10.077 1.00 0.00 O ATOM 0 H TYR A 27 2.722 11.577 -4.745 1.00 0.00 H new ATOM 0 HA TYR A 27 0.393 11.291 -6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.514 9.285 -5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.344 9.059 -6.890 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.461 11.715 -8.255 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.596 9.280 -6.707 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.028 12.714 -9.860 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.168 10.281 -8.307 1.00 0.00 H new ATOM 0 HH TYR A 27 6.459 11.723 -9.954 1.00 0.00 H new ATOM 400 N HIS A 28 0.457 10.247 -3.425 1.00 0.00 N ATOM 401 CA HIS A 28 -0.325 9.625 -2.361 1.00 0.00 C ATOM 402 C HIS A 28 -1.818 9.844 -2.586 1.00 0.00 C ATOM 403 O HIS A 28 -2.595 8.898 -2.723 1.00 0.00 O ATOM 404 CB HIS A 28 0.086 10.189 -1.001 1.00 0.00 C ATOM 405 CG HIS A 28 1.136 9.377 -0.308 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.312 9.384 1.060 1.00 0.00 N ATOM 407 CD2 HIS A 28 2.068 8.529 -0.801 1.00 0.00 C ATOM 408 CE1 HIS A 28 2.307 8.575 1.377 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.783 8.044 0.266 1.00 0.00 N ATOM 0 H HIS A 28 1.269 10.772 -3.100 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.126 8.553 -2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.455 11.206 -1.135 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.795 10.251 -0.362 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.760 9.929 1.723 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.221 8.280 -1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.670 8.381 2.376 1.00 0.00 H new ATOM 417 N PRO A 29 -2.232 11.119 -2.625 1.00 0.00 N ATOM 418 CA PRO A 29 -3.634 11.491 -2.832 1.00 0.00 C ATOM 419 C PRO A 29 -4.110 11.191 -4.250 1.00 0.00 C ATOM 420 O PRO A 29 -5.291 11.338 -4.564 1.00 0.00 O ATOM 421 CB PRO A 29 -3.643 12.999 -2.573 1.00 0.00 C ATOM 422 CG PRO A 29 -2.251 13.442 -2.864 1.00 0.00 C ATOM 423 CD PRO A 29 -1.361 12.296 -2.470 1.00 0.00 C ATOM 0 HA PRO A 29 -4.305 10.929 -2.182 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.362 13.507 -3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.922 13.222 -1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.131 13.684 -3.920 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.002 14.341 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.481 12.232 -3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.003 12.399 -1.446 1.00 0.00 H new ATOM 431 N LYS A 30 -3.182 10.771 -5.104 1.00 0.00 N ATOM 432 CA LYS A 30 -3.506 10.447 -6.488 1.00 0.00 C ATOM 433 C LYS A 30 -3.736 8.950 -6.658 1.00 0.00 C ATOM 434 O LYS A 30 -4.420 8.519 -7.588 1.00 0.00 O ATOM 435 CB LYS A 30 -2.382 10.911 -7.418 1.00 0.00 C ATOM 436 CG LYS A 30 -2.234 12.421 -7.488 1.00 0.00 C ATOM 437 CD LYS A 30 -3.166 13.025 -8.523 1.00 0.00 C ATOM 438 CE LYS A 30 -2.727 14.427 -8.918 1.00 0.00 C ATOM 439 NZ LYS A 30 -3.708 15.079 -9.831 1.00 0.00 N ATOM 0 H LYS A 30 -2.199 10.647 -4.861 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.426 10.969 -6.751 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.441 10.477 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.569 10.526 -8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.445 12.854 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.203 12.675 -7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.191 12.388 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.180 13.059 -8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.605 15.035 -8.022 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.753 14.379 -9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.373 16.032 -10.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.806 14.512 -10.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.631 15.148 -9.357 1.00 0.00 H new ATOM 453 N ILE A 31 -3.163 8.161 -5.756 1.00 0.00 N ATOM 454 CA ILE A 31 -3.308 6.712 -5.806 1.00 0.00 C ATOM 455 C ILE A 31 -4.642 6.272 -5.210 1.00 0.00 C ATOM 456 O ILE A 31 -5.247 5.302 -5.667 1.00 0.00 O ATOM 457 CB ILE A 31 -2.166 6.005 -5.052 1.00 0.00 C ATOM 458 CG1 ILE A 31 -0.814 6.386 -5.659 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.362 4.497 -5.086 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.329 6.335 -4.669 1.00 0.00 C ATOM 0 H ILE A 31 -2.594 8.501 -4.981 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.270 6.428 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.181 6.330 -4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.595 5.714 -6.489 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.881 7.392 -6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.547 4.012 -4.549 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.310 4.243 -4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.369 4.154 -6.121 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.256 6.617 -5.169 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.133 7.028 -3.851 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.423 5.324 -4.274 1.00 0.00 H new ATOM 472 N ILE A 32 -5.095 6.994 -4.191 1.00 0.00 N ATOM 473 CA ILE A 32 -6.359 6.680 -3.536 1.00 0.00 C ATOM 474 C ILE A 32 -7.481 6.519 -4.556 1.00 0.00 C ATOM 475 O ILE A 32 -8.074 5.448 -4.678 1.00 0.00 O ATOM 476 CB ILE A 32 -6.755 7.771 -2.524 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.749 7.816 -1.371 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.160 7.522 -1.998 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.760 9.122 -0.609 1.00 0.00 C ATOM 0 H ILE A 32 -4.606 7.800 -3.801 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.214 5.739 -3.006 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.744 8.736 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.964 7.000 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.748 7.644 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.425 8.302 -1.284 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.867 7.535 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.197 6.551 -1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.023 9.082 0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.515 9.940 -1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.750 9.287 -0.183 1.00 0.00 H new ATOM 491 N GLY A 33 -7.767 7.592 -5.289 1.00 0.00 N ATOM 492 CA GLY A 33 -8.816 7.547 -6.290 1.00 0.00 C ATOM 493 C GLY A 33 -9.810 8.682 -6.138 1.00 0.00 C ATOM 494 O GLY A 33 -10.060 9.153 -5.030 1.00 0.00 O ATOM 0 H GLY A 33 -7.291 8.490 -5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.369 7.590 -7.283 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.342 6.595 -6.218 1.00 0.00 H new ATOM 498 N ARG A 34 -10.377 9.123 -7.257 1.00 0.00 N ATOM 499 CA ARG A 34 -11.346 10.211 -7.244 1.00 0.00 C ATOM 500 C ARG A 34 -12.460 9.937 -6.238 1.00 0.00 C ATOM 501 O ARG A 34 -12.810 10.799 -5.431 1.00 0.00 O ATOM 502 CB ARG A 34 -11.943 10.408 -8.640 1.00 0.00 C ATOM 503 CG ARG A 34 -11.098 11.288 -9.545 1.00 0.00 C ATOM 504 CD ARG A 34 -11.393 11.024 -11.013 1.00 0.00 C ATOM 505 NE ARG A 34 -10.990 9.680 -11.419 1.00 0.00 N ATOM 506 CZ ARG A 34 -9.729 9.328 -11.643 1.00 0.00 C ATOM 507 NH1 ARG A 34 -8.754 10.214 -11.500 1.00 0.00 N ATOM 508 NH2 ARG A 34 -9.443 8.085 -12.010 1.00 0.00 N ATOM 0 H ARG A 34 -10.181 8.743 -8.183 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.827 11.122 -6.946 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.071 9.434 -9.112 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.935 10.848 -8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.290 12.336 -9.317 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.042 11.107 -9.347 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.459 11.154 -11.198 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.871 11.759 -11.626 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.716 8.974 -11.537 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.971 11.170 -11.217 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.787 9.940 -11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.191 7.401 -12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.475 7.814 -12.182 1.00 0.00 H new ATOM 522 N LYS A 35 -13.014 8.730 -6.291 1.00 0.00 N ATOM 523 CA LYS A 35 -14.087 8.339 -5.384 1.00 0.00 C ATOM 524 C LYS A 35 -13.566 7.411 -4.293 1.00 0.00 C ATOM 525 O LYS A 35 -14.102 7.375 -3.186 1.00 0.00 O ATOM 526 CB LYS A 35 -15.213 7.652 -6.161 1.00 0.00 C ATOM 527 CG LYS A 35 -16.503 7.520 -5.371 1.00 0.00 C ATOM 528 CD LYS A 35 -17.333 8.791 -5.441 1.00 0.00 C ATOM 529 CE LYS A 35 -18.451 8.785 -4.410 1.00 0.00 C ATOM 530 NZ LYS A 35 -17.925 8.878 -3.021 1.00 0.00 N ATOM 0 H LYS A 35 -12.737 8.005 -6.953 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.478 9.240 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.411 8.216 -7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -14.880 6.660 -6.466 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -17.084 6.683 -5.759 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.272 7.292 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.690 9.656 -5.277 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.758 8.895 -6.439 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -19.125 9.621 -4.600 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.038 7.872 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.688 9.175 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.564 7.949 -2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.154 9.576 -2.988 1.00 0.00 H new ATOM 544 N GLY A 36 -12.517 6.659 -4.613 1.00 0.00 N ATOM 545 CA GLY A 36 -11.940 5.741 -3.648 1.00 0.00 C ATOM 546 C GLY A 36 -12.054 4.293 -4.084 1.00 0.00 C ATOM 547 O GLY A 36 -11.269 3.447 -3.660 1.00 0.00 O ATOM 0 H GLY A 36 -12.057 6.669 -5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.890 5.990 -3.497 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.439 5.868 -2.687 1.00 0.00 H new ATOM 551 N ALA A 37 -13.036 4.010 -4.934 1.00 0.00 N ATOM 552 CA ALA A 37 -13.250 2.655 -5.428 1.00 0.00 C ATOM 553 C ALA A 37 -11.955 2.056 -5.966 1.00 0.00 C ATOM 554 O ALA A 37 -11.828 0.838 -6.094 1.00 0.00 O ATOM 555 CB ALA A 37 -14.323 2.650 -6.507 1.00 0.00 C ATOM 0 H ALA A 37 -13.695 4.700 -5.294 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.586 2.040 -4.593 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.472 1.632 -6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.257 3.029 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.009 3.285 -7.335 1.00 0.00 H new ATOM 561 N VAL A 38 -10.995 2.920 -6.281 1.00 0.00 N ATOM 562 CA VAL A 38 -9.708 2.475 -6.805 1.00 0.00 C ATOM 563 C VAL A 38 -8.899 1.751 -5.734 1.00 0.00 C ATOM 564 O VAL A 38 -8.686 0.541 -5.817 1.00 0.00 O ATOM 565 CB VAL A 38 -8.882 3.659 -7.343 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.600 3.163 -7.994 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.705 4.480 -8.325 1.00 0.00 C ATOM 0 H VAL A 38 -11.084 3.931 -6.183 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.920 1.787 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.611 4.301 -6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.029 4.013 -8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.005 2.622 -7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.846 2.498 -8.822 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.106 5.312 -8.695 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.008 3.850 -9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.592 4.866 -7.823 1.00 0.00 H new ATOM 577 N ILE A 39 -8.453 2.498 -4.732 1.00 0.00 N ATOM 578 CA ILE A 39 -7.670 1.926 -3.643 1.00 0.00 C ATOM 579 C ILE A 39 -8.423 0.790 -2.961 1.00 0.00 C ATOM 580 O ILE A 39 -7.818 -0.143 -2.431 1.00 0.00 O ATOM 581 CB ILE A 39 -7.306 2.990 -2.591 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.338 2.408 -1.559 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.562 3.515 -1.913 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.960 2.125 -2.114 1.00 0.00 C ATOM 0 H ILE A 39 -8.620 3.501 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.753 1.536 -4.086 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.813 3.823 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.249 3.103 -0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.757 1.484 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.289 4.266 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.218 3.963 -2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.081 2.692 -1.421 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.328 1.714 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.037 1.406 -2.930 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.521 3.050 -2.486 1.00 0.00 H new ATOM 596 N THR A 40 -9.750 0.873 -2.979 1.00 0.00 N ATOM 597 CA THR A 40 -10.588 -0.149 -2.362 1.00 0.00 C ATOM 598 C THR A 40 -10.437 -1.488 -3.076 1.00 0.00 C ATOM 599 O THR A 40 -10.448 -2.543 -2.442 1.00 0.00 O ATOM 600 CB THR A 40 -12.073 0.261 -2.374 1.00 0.00 C ATOM 601 OG1 THR A 40 -12.266 1.423 -1.559 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.950 -0.873 -1.866 1.00 0.00 C ATOM 0 H THR A 40 -10.267 1.637 -3.414 1.00 0.00 H new ATOM 0 HA THR A 40 -10.254 -0.251 -1.329 1.00 0.00 H new ATOM 0 HB THR A 40 -12.358 0.487 -3.402 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.011 2.223 -2.064 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.994 -0.561 -1.883 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.822 -1.747 -2.505 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.663 -1.125 -0.845 1.00 0.00 H new ATOM 610 N GLN A 41 -10.294 -1.437 -4.396 1.00 0.00 N ATOM 611 CA GLN A 41 -10.140 -2.647 -5.195 1.00 0.00 C ATOM 612 C GLN A 41 -8.807 -3.328 -4.900 1.00 0.00 C ATOM 613 O GLN A 41 -8.705 -4.555 -4.939 1.00 0.00 O ATOM 614 CB GLN A 41 -10.239 -2.317 -6.684 1.00 0.00 C ATOM 615 CG GLN A 41 -10.065 -3.527 -7.589 1.00 0.00 C ATOM 616 CD GLN A 41 -11.206 -4.516 -7.468 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.324 -4.149 -7.104 1.00 0.00 O ATOM 618 NE2 GLN A 41 -10.931 -5.778 -7.775 1.00 0.00 N ATOM 0 H GLN A 41 -10.282 -0.571 -4.935 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.944 -3.333 -4.929 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.209 -1.862 -6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.481 -1.575 -6.934 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.987 -3.193 -8.624 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.128 -4.027 -7.344 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.990 -6.037 -8.072 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.660 -6.488 -7.714 1.00 0.00 H new ATOM 627 N ILE A 42 -7.791 -2.525 -4.607 1.00 0.00 N ATOM 628 CA ILE A 42 -6.465 -3.051 -4.304 1.00 0.00 C ATOM 629 C ILE A 42 -6.434 -3.703 -2.927 1.00 0.00 C ATOM 630 O ILE A 42 -5.819 -4.755 -2.740 1.00 0.00 O ATOM 631 CB ILE A 42 -5.395 -1.945 -4.361 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.376 -1.294 -5.745 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.026 -2.515 -4.019 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.875 0.133 -5.735 1.00 0.00 C ATOM 0 H ILE A 42 -7.860 -1.508 -4.573 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.241 -3.801 -5.063 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.644 -1.181 -3.624 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.746 -1.887 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.383 -1.314 -6.161 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.280 -1.721 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.048 -2.936 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.768 -3.296 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.889 0.531 -6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.519 0.740 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.856 0.158 -5.349 1.00 0.00 H new ATOM 646 N ARG A 43 -7.100 -3.074 -1.964 1.00 0.00 N ATOM 647 CA ARG A 43 -7.148 -3.594 -0.603 1.00 0.00 C ATOM 648 C ARG A 43 -7.808 -4.970 -0.569 1.00 0.00 C ATOM 649 O ARG A 43 -7.305 -5.897 0.067 1.00 0.00 O ATOM 650 CB ARG A 43 -7.910 -2.630 0.307 1.00 0.00 C ATOM 651 CG ARG A 43 -7.145 -1.355 0.620 1.00 0.00 C ATOM 652 CD ARG A 43 -8.048 -0.303 1.246 1.00 0.00 C ATOM 653 NE ARG A 43 -8.143 -0.456 2.695 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.000 -1.279 3.291 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.829 -2.017 2.567 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.027 -1.363 4.616 1.00 0.00 N ATOM 0 H ARG A 43 -7.614 -2.204 -2.101 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.124 -3.692 -0.242 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.857 -2.369 -0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.150 -3.138 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.322 -1.580 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.704 -0.960 -0.295 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.665 0.690 1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.044 -0.373 0.808 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.519 0.098 3.281 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.811 -1.955 1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.485 -2.647 3.028 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.390 -0.796 5.176 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.684 -1.994 5.074 1.00 0.00 H new ATOM 670 N LEU A 44 -8.937 -5.096 -1.258 1.00 0.00 N ATOM 671 CA LEU A 44 -9.666 -6.358 -1.308 1.00 0.00 C ATOM 672 C LEU A 44 -8.873 -7.416 -2.068 1.00 0.00 C ATOM 673 O LEU A 44 -8.747 -8.554 -1.617 1.00 0.00 O ATOM 674 CB LEU A 44 -11.032 -6.156 -1.967 1.00 0.00 C ATOM 675 CG LEU A 44 -12.080 -5.423 -1.129 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.230 -4.952 -2.005 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.591 -6.320 -0.011 1.00 0.00 C ATOM 0 H LEU A 44 -9.367 -4.339 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.811 -6.705 -0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.887 -5.603 -2.895 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.431 -7.134 -2.237 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.611 -4.548 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.966 -4.433 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.851 -4.273 -2.769 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.699 -5.812 -2.484 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.336 -5.782 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.043 -7.214 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.760 -6.607 0.634 1.00 0.00 H new ATOM 689 N GLU A 45 -8.340 -7.032 -3.224 1.00 0.00 N ATOM 690 CA GLU A 45 -7.558 -7.947 -4.046 1.00 0.00 C ATOM 691 C GLU A 45 -6.554 -8.719 -3.196 1.00 0.00 C ATOM 692 O GLU A 45 -6.498 -9.949 -3.243 1.00 0.00 O ATOM 693 CB GLU A 45 -6.827 -7.180 -5.149 1.00 0.00 C ATOM 694 CG GLU A 45 -6.174 -8.078 -6.186 1.00 0.00 C ATOM 695 CD GLU A 45 -5.697 -7.312 -7.405 1.00 0.00 C ATOM 696 OE1 GLU A 45 -5.138 -6.208 -7.231 1.00 0.00 O ATOM 697 OE2 GLU A 45 -5.883 -7.817 -8.532 1.00 0.00 O ATOM 0 H GLU A 45 -8.436 -6.094 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.244 -8.660 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.534 -6.517 -5.648 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.063 -6.548 -4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.328 -8.595 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.885 -8.843 -6.498 1.00 0.00 H new ATOM 704 N HIS A 46 -5.761 -7.989 -2.418 1.00 0.00 N ATOM 705 CA HIS A 46 -4.757 -8.604 -1.557 1.00 0.00 C ATOM 706 C HIS A 46 -5.233 -8.638 -0.107 1.00 0.00 C ATOM 707 O HIS A 46 -4.436 -8.812 0.814 1.00 0.00 O ATOM 708 CB HIS A 46 -3.435 -7.843 -1.653 1.00 0.00 C ATOM 709 CG HIS A 46 -3.019 -7.542 -3.060 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.996 -6.374 -3.747 1.00 0.00 N flip ATOM 711 CD2 HIS A 46 -2.560 -8.506 -3.932 1.00 0.00 C flip ATOM 712 CE1 HIS A 46 -2.528 -6.653 -5.007 1.00 0.00 C flip ATOM 713 NE2 HIS A 46 -2.271 -7.946 -5.093 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.794 -6.971 -2.366 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.603 -9.628 -1.896 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.523 -6.907 -1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.653 -8.427 -1.168 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.453 -9.556 -3.702 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.392 -5.932 -5.800 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.911 -8.430 -5.916 1.00 0.00 H new ATOM 721 N ASP A 47 -6.537 -8.472 0.085 1.00 0.00 N ATOM 722 CA ASP A 47 -7.119 -8.484 1.423 1.00 0.00 C ATOM 723 C ASP A 47 -6.185 -7.819 2.429 1.00 0.00 C ATOM 724 O ASP A 47 -6.017 -8.302 3.549 1.00 0.00 O ATOM 725 CB ASP A 47 -7.419 -9.920 1.858 1.00 0.00 C ATOM 726 CG ASP A 47 -6.449 -10.920 1.262 1.00 0.00 C ATOM 727 OD1 ASP A 47 -6.345 -10.980 0.019 1.00 0.00 O ATOM 728 OD2 ASP A 47 -5.792 -11.644 2.040 1.00 0.00 O ATOM 0 H ASP A 47 -7.211 -8.328 -0.667 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.051 -7.919 1.392 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.379 -9.983 2.945 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.435 -10.182 1.561 1.00 0.00 H new ATOM 733 N VAL A 48 -5.578 -6.709 2.021 1.00 0.00 N ATOM 734 CA VAL A 48 -4.660 -5.978 2.886 1.00 0.00 C ATOM 735 C VAL A 48 -5.238 -4.623 3.280 1.00 0.00 C ATOM 736 O VAL A 48 -6.195 -4.145 2.673 1.00 0.00 O ATOM 737 CB VAL A 48 -3.296 -5.761 2.203 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.640 -7.097 1.888 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.459 -4.928 0.941 1.00 0.00 C ATOM 0 H VAL A 48 -5.706 -6.296 1.097 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.518 -6.585 3.780 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.647 -5.216 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.678 -6.925 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.488 -7.655 2.812 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.283 -7.670 1.220 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.486 -4.785 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.124 -5.444 0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.884 -3.958 1.198 1.00 0.00 H new ATOM 749 N ASN A 49 -4.650 -4.010 4.302 1.00 0.00 N ATOM 750 CA ASN A 49 -5.107 -2.710 4.779 1.00 0.00 C ATOM 751 C ASN A 49 -4.137 -1.607 4.364 1.00 0.00 C ATOM 752 O ASN A 49 -2.981 -1.591 4.788 1.00 0.00 O ATOM 753 CB ASN A 49 -5.257 -2.726 6.302 1.00 0.00 C ATOM 754 CG ASN A 49 -5.255 -1.331 6.897 1.00 0.00 C ATOM 755 OD1 ASN A 49 -5.798 -0.394 6.313 1.00 0.00 O ATOM 756 ND2 ASN A 49 -4.640 -1.189 8.066 1.00 0.00 N ATOM 0 H ASN A 49 -3.856 -4.393 4.816 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.078 -2.505 4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.186 -3.230 6.568 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.444 -3.306 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.605 -0.274 8.516 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.203 -1.995 8.514 1.00 0.00 H new ATOM 763 N ILE A 50 -4.617 -0.687 3.534 1.00 0.00 N ATOM 764 CA ILE A 50 -3.795 0.420 3.063 1.00 0.00 C ATOM 765 C ILE A 50 -4.196 1.728 3.735 1.00 0.00 C ATOM 766 O ILE A 50 -5.378 2.067 3.798 1.00 0.00 O ATOM 767 CB ILE A 50 -3.897 0.588 1.535 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.356 -0.656 0.827 1.00 0.00 C ATOM 769 CG2 ILE A 50 -3.141 1.830 1.088 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.666 -0.690 -0.654 1.00 0.00 C ATOM 0 H ILE A 50 -5.571 -0.687 3.174 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.765 0.181 3.326 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.946 0.709 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.276 -0.702 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.776 -1.544 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.222 1.936 0.006 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.567 2.709 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.091 1.737 1.366 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.253 -1.599 -1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.746 -0.675 -0.800 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.223 0.180 -1.139 1.00 0.00 H new ATOM 782 N GLN A 51 -3.206 2.460 4.234 1.00 0.00 N ATOM 783 CA GLN A 51 -3.456 3.732 4.899 1.00 0.00 C ATOM 784 C GLN A 51 -2.362 4.744 4.572 1.00 0.00 C ATOM 785 O GLN A 51 -1.173 4.447 4.691 1.00 0.00 O ATOM 786 CB GLN A 51 -3.545 3.531 6.413 1.00 0.00 C ATOM 787 CG GLN A 51 -4.950 3.223 6.906 1.00 0.00 C ATOM 788 CD GLN A 51 -5.009 3.003 8.404 1.00 0.00 C ATOM 789 OE1 GLN A 51 -5.420 1.809 8.811 1.00 0.00 O flip ATOM 790 NE2 GLN A 51 -4.688 3.898 9.187 1.00 0.00 N flip ATOM 0 H GLN A 51 -2.222 2.193 4.190 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.406 4.122 4.534 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.881 2.716 6.702 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.183 4.430 6.912 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.613 4.045 6.637 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.322 2.334 6.397 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.378 4.801 8.829 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.733 3.736 10.193 1.00 0.00 H new ATOM 799 N PHE A 52 -2.772 5.939 4.161 1.00 0.00 N ATOM 800 CA PHE A 52 -1.826 6.994 3.816 1.00 0.00 C ATOM 801 C PHE A 52 -1.601 7.932 4.998 1.00 0.00 C ATOM 802 O PHE A 52 -2.461 8.097 5.863 1.00 0.00 O ATOM 803 CB PHE A 52 -2.334 7.788 2.610 1.00 0.00 C ATOM 804 CG PHE A 52 -2.586 6.940 1.396 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.776 6.244 1.255 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.633 6.838 0.396 1.00 0.00 C ATOM 807 CE1 PHE A 52 -4.010 5.462 0.140 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.861 6.058 -0.723 1.00 0.00 C ATOM 809 CZ PHE A 52 -3.051 5.370 -0.850 1.00 0.00 C ATOM 0 H PHE A 52 -3.752 6.201 4.059 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.875 6.526 3.561 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.257 8.299 2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.605 8.559 2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.529 6.314 2.026 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.700 7.374 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.941 4.924 0.043 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.110 5.987 -1.496 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.232 4.760 -1.723 1.00 0.00 H new ATOM 819 N PRO A 53 -0.417 8.559 5.038 1.00 0.00 N ATOM 820 CA PRO A 53 -0.050 9.490 6.108 1.00 0.00 C ATOM 821 C PRO A 53 -0.846 10.789 6.045 1.00 0.00 C ATOM 822 O PRO A 53 -1.521 11.066 5.054 1.00 0.00 O ATOM 823 CB PRO A 53 1.434 9.760 5.850 1.00 0.00 C ATOM 824 CG PRO A 53 1.618 9.507 4.394 1.00 0.00 C ATOM 825 CD PRO A 53 0.656 8.408 4.040 1.00 0.00 C ATOM 0 HA PRO A 53 -0.257 9.077 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.701 10.784 6.111 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.066 9.104 6.449 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.414 10.406 3.813 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.644 9.212 4.176 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.278 8.517 3.024 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.127 7.427 4.101 1.00 0.00 H new ATOM 833 N ASP A 54 -0.763 11.582 7.108 1.00 0.00 N ATOM 834 CA ASP A 54 -1.475 12.852 7.172 1.00 0.00 C ATOM 835 C ASP A 54 -0.496 14.024 7.166 1.00 0.00 C ATOM 836 O ASP A 54 0.562 13.966 7.790 1.00 0.00 O ATOM 837 CB ASP A 54 -2.348 12.909 8.427 1.00 0.00 C ATOM 838 CG ASP A 54 -3.552 13.814 8.253 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.288 13.640 7.259 1.00 0.00 O ATOM 840 OD2 ASP A 54 -3.758 14.698 9.111 1.00 0.00 O ATOM 0 H ASP A 54 -0.209 11.367 7.937 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.112 12.928 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.686 11.903 8.677 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.750 13.262 9.267 1.00 0.00 H new ATOM 845 N LYS A 55 -0.859 15.086 6.454 1.00 0.00 N ATOM 846 CA LYS A 55 -0.016 16.271 6.365 1.00 0.00 C ATOM 847 C LYS A 55 -0.079 17.082 7.656 1.00 0.00 C ATOM 848 O LYS A 55 0.952 17.472 8.205 1.00 0.00 O ATOM 849 CB LYS A 55 -0.446 17.142 5.181 1.00 0.00 C ATOM 850 CG LYS A 55 -0.758 16.348 3.925 1.00 0.00 C ATOM 851 CD LYS A 55 0.476 16.178 3.053 1.00 0.00 C ATOM 852 CE LYS A 55 0.159 15.402 1.784 1.00 0.00 C ATOM 853 NZ LYS A 55 -0.036 13.950 2.056 1.00 0.00 N ATOM 0 H LYS A 55 -1.732 15.149 5.930 1.00 0.00 H new ATOM 0 HA LYS A 55 1.012 15.943 6.212 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.327 17.718 5.465 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.346 17.858 4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.148 15.368 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.539 16.854 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.876 17.158 2.791 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.251 15.657 3.615 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.741 15.810 1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.970 15.532 1.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.250 13.456 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.832 13.555 2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.826 13.824 2.721 1.00 0.00 H new ATOM 867 N ASP A 56 -1.293 17.331 8.134 1.00 0.00 N ATOM 868 CA ASP A 56 -1.489 18.094 9.361 1.00 0.00 C ATOM 869 C ASP A 56 -0.571 17.588 10.468 1.00 0.00 C ATOM 870 O ASP A 56 -0.027 18.373 11.244 1.00 0.00 O ATOM 871 CB ASP A 56 -2.948 18.006 9.813 1.00 0.00 C ATOM 872 CG ASP A 56 -3.288 19.030 10.878 1.00 0.00 C ATOM 873 OD1 ASP A 56 -2.418 19.309 11.730 1.00 0.00 O ATOM 874 OD2 ASP A 56 -4.423 19.552 10.860 1.00 0.00 O ATOM 0 H ASP A 56 -2.156 17.016 7.691 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.241 19.135 9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.601 18.151 8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.146 17.006 10.199 1.00 0.00 H new ATOM 879 N ASP A 57 -0.403 16.271 10.535 1.00 0.00 N ATOM 880 CA ASP A 57 0.451 15.660 11.548 1.00 0.00 C ATOM 881 C ASP A 57 1.852 16.260 11.510 1.00 0.00 C ATOM 882 O ASP A 57 2.262 16.966 12.431 1.00 0.00 O ATOM 883 CB ASP A 57 0.523 14.147 11.337 1.00 0.00 C ATOM 884 CG ASP A 57 0.733 13.392 12.636 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.903 13.218 13.039 1.00 0.00 O ATOM 886 OD2 ASP A 57 -0.271 12.976 13.249 1.00 0.00 O ATOM 0 H ASP A 57 -0.846 15.607 9.901 1.00 0.00 H new ATOM 0 HA ASP A 57 0.016 15.862 12.527 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.398 13.804 10.865 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.338 13.917 10.650 1.00 0.00 H new ATOM 891 N GLY A 58 2.586 15.971 10.439 1.00 0.00 N ATOM 892 CA GLY A 58 3.935 16.487 10.302 1.00 0.00 C ATOM 893 C GLY A 58 4.984 15.504 10.780 1.00 0.00 C ATOM 894 O GLY A 58 5.714 14.925 9.975 1.00 0.00 O ATOM 0 H GLY A 58 2.270 15.388 9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.122 16.733 9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.025 17.414 10.869 1.00 0.00 H new ATOM 898 N ASN A 59 5.062 15.314 12.093 1.00 0.00 N ATOM 899 CA ASN A 59 6.032 14.395 12.677 1.00 0.00 C ATOM 900 C ASN A 59 6.102 13.097 11.877 1.00 0.00 C ATOM 901 O ASN A 59 7.171 12.508 11.726 1.00 0.00 O ATOM 902 CB ASN A 59 5.666 14.091 14.131 1.00 0.00 C ATOM 903 CG ASN A 59 6.167 15.156 15.088 1.00 0.00 C ATOM 904 OD1 ASN A 59 5.379 15.847 15.733 1.00 0.00 O ATOM 905 ND2 ASN A 59 7.484 15.292 15.184 1.00 0.00 N ATOM 0 H ASN A 59 4.465 15.784 12.773 1.00 0.00 H new ATOM 0 HA ASN A 59 7.011 14.873 12.648 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.583 14.007 14.220 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.085 13.126 14.414 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.880 15.992 15.812 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.100 14.697 14.630 1.00 0.00 H new ATOM 912 N GLN A 60 4.955 12.660 11.367 1.00 0.00 N ATOM 913 CA GLN A 60 4.886 11.433 10.583 1.00 0.00 C ATOM 914 C GLN A 60 5.235 11.701 9.123 1.00 0.00 C ATOM 915 O GLN A 60 5.020 12.794 8.598 1.00 0.00 O ATOM 916 CB GLN A 60 3.490 10.817 10.682 1.00 0.00 C ATOM 917 CG GLN A 60 3.112 10.387 12.091 1.00 0.00 C ATOM 918 CD GLN A 60 1.722 9.789 12.165 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.764 10.433 11.510 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.510 8.759 12.807 1.00 0.00 N flip ATOM 0 H GLN A 60 4.061 13.137 11.483 1.00 0.00 H new ATOM 0 HA GLN A 60 5.614 10.730 10.989 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.757 11.539 10.323 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.436 9.952 10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.837 9.657 12.451 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.169 11.248 12.757 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.276 8.296 13.296 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.568 8.369 12.850 1.00 0.00 H new ATOM 929 N PRO A 61 5.784 10.680 8.449 1.00 0.00 N ATOM 930 CA PRO A 61 6.173 10.780 7.039 1.00 0.00 C ATOM 931 C PRO A 61 4.968 10.873 6.110 1.00 0.00 C ATOM 932 O PRO A 61 4.003 10.124 6.255 1.00 0.00 O ATOM 933 CB PRO A 61 6.942 9.480 6.789 1.00 0.00 C ATOM 934 CG PRO A 61 6.407 8.524 7.799 1.00 0.00 C ATOM 935 CD PRO A 61 6.067 9.349 9.010 1.00 0.00 C ATOM 0 HA PRO A 61 6.755 11.680 6.840 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.783 9.115 5.775 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.015 9.625 6.911 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.526 8.007 7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.145 7.759 8.042 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.205 8.946 9.542 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.894 9.380 9.720 1.00 0.00 H new ATOM 943 N GLN A 62 5.032 11.796 5.155 1.00 0.00 N ATOM 944 CA GLN A 62 3.945 11.986 4.203 1.00 0.00 C ATOM 945 C GLN A 62 4.196 11.192 2.925 1.00 0.00 C ATOM 946 O GLN A 62 3.295 11.018 2.104 1.00 0.00 O ATOM 947 CB GLN A 62 3.782 13.469 3.871 1.00 0.00 C ATOM 948 CG GLN A 62 3.493 14.337 5.087 1.00 0.00 C ATOM 949 CD GLN A 62 2.538 13.677 6.061 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.451 13.239 5.682 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.939 13.600 7.325 1.00 0.00 N ATOM 0 H GLN A 62 5.825 12.423 5.021 1.00 0.00 H new ATOM 0 HA GLN A 62 3.026 11.621 4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.691 13.827 3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.972 13.585 3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.429 14.563 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.072 15.287 4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.848 13.976 7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.338 13.165 8.025 1.00 0.00 H new ATOM 960 N ASP A 63 5.425 10.713 2.764 1.00 0.00 N ATOM 961 CA ASP A 63 5.794 9.938 1.585 1.00 0.00 C ATOM 962 C ASP A 63 5.753 8.443 1.885 1.00 0.00 C ATOM 963 O ASP A 63 5.787 7.616 0.974 1.00 0.00 O ATOM 964 CB ASP A 63 7.190 10.336 1.104 1.00 0.00 C ATOM 965 CG ASP A 63 8.290 9.592 1.835 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.381 9.734 3.073 1.00 0.00 O ATOM 967 OD2 ASP A 63 9.059 8.866 1.171 1.00 0.00 O ATOM 0 H ASP A 63 6.182 10.848 3.434 1.00 0.00 H new ATOM 0 HA ASP A 63 5.072 10.153 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.272 10.140 0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.327 11.408 1.243 1.00 0.00 H new ATOM 972 N GLN A 64 5.684 8.103 3.169 1.00 0.00 N ATOM 973 CA GLN A 64 5.641 6.707 3.587 1.00 0.00 C ATOM 974 C GLN A 64 4.200 6.226 3.733 1.00 0.00 C ATOM 975 O GLN A 64 3.355 6.929 4.288 1.00 0.00 O ATOM 976 CB GLN A 64 6.387 6.527 4.911 1.00 0.00 C ATOM 977 CG GLN A 64 7.886 6.752 4.799 1.00 0.00 C ATOM 978 CD GLN A 64 8.640 5.490 4.427 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.550 5.098 3.161 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.294 4.873 5.268 1.00 0.00 N flip ATOM 0 H GLN A 64 5.657 8.775 3.936 1.00 0.00 H new ATOM 0 HA GLN A 64 6.129 6.108 2.818 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.978 7.220 5.646 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.206 5.520 5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.079 7.520 4.050 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.265 7.130 5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.336 5.210 6.230 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.794 4.025 5.003 1.00 0.00 H new ATOM 989 N ILE A 65 3.929 5.026 3.230 1.00 0.00 N ATOM 990 CA ILE A 65 2.592 4.453 3.305 1.00 0.00 C ATOM 991 C ILE A 65 2.584 3.181 4.148 1.00 0.00 C ATOM 992 O ILE A 65 3.383 2.270 3.925 1.00 0.00 O ATOM 993 CB ILE A 65 2.038 4.130 1.905 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.257 5.313 0.960 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.561 3.776 1.986 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.220 4.934 -0.504 1.00 0.00 C ATOM 0 H ILE A 65 4.617 4.433 2.767 1.00 0.00 H new ATOM 0 HA ILE A 65 1.955 5.202 3.775 1.00 0.00 H new ATOM 0 HB ILE A 65 2.576 3.268 1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.493 6.066 1.151 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.220 5.772 1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.186 3.551 0.988 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.430 2.905 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.007 4.618 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.383 5.823 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.002 4.204 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.248 4.502 -0.744 1.00 0.00 H new ATOM 1008 N THR A 66 1.677 3.126 5.118 1.00 0.00 N ATOM 1009 CA THR A 66 1.565 1.966 5.993 1.00 0.00 C ATOM 1010 C THR A 66 0.612 0.928 5.413 1.00 0.00 C ATOM 1011 O THR A 66 -0.476 1.265 4.943 1.00 0.00 O ATOM 1012 CB THR A 66 1.075 2.368 7.397 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.552 3.677 7.726 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.551 1.372 8.443 1.00 0.00 C ATOM 0 H THR A 66 1.010 3.871 5.317 1.00 0.00 H new ATOM 0 HA THR A 66 2.562 1.534 6.073 1.00 0.00 H new ATOM 0 HB THR A 66 -0.015 2.370 7.390 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.235 3.926 8.619 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.192 1.677 9.426 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.162 0.382 8.206 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.641 1.342 8.448 1.00 0.00 H new ATOM 1022 N ILE A 67 1.026 -0.334 5.448 1.00 0.00 N ATOM 1023 CA ILE A 67 0.207 -1.422 4.927 1.00 0.00 C ATOM 1024 C ILE A 67 0.270 -2.643 5.838 1.00 0.00 C ATOM 1025 O ILE A 67 1.340 -3.209 6.064 1.00 0.00 O ATOM 1026 CB ILE A 67 0.650 -1.829 3.509 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.645 -0.613 2.581 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.258 -2.922 2.965 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.305 -0.871 1.244 1.00 0.00 C ATOM 0 H ILE A 67 1.924 -0.629 5.832 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.819 -1.055 4.888 1.00 0.00 H new ATOM 0 HB ILE A 67 1.666 -2.219 3.559 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.385 -0.298 2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.155 0.214 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.067 -3.199 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.208 -3.794 3.617 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.284 -2.556 2.926 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.265 0.034 0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.345 -1.157 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.781 -1.676 0.729 1.00 0.00 H new ATOM 1041 N THR A 68 -0.885 -3.046 6.359 1.00 0.00 N ATOM 1042 CA THR A 68 -0.963 -4.200 7.245 1.00 0.00 C ATOM 1043 C THR A 68 -1.587 -5.397 6.536 1.00 0.00 C ATOM 1044 O THR A 68 -2.480 -5.241 5.703 1.00 0.00 O ATOM 1045 CB THR A 68 -1.781 -3.884 8.510 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.526 -2.540 8.935 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.437 -4.850 9.633 1.00 0.00 C ATOM 0 H THR A 68 -1.780 -2.589 6.182 1.00 0.00 H new ATOM 0 HA THR A 68 0.059 -4.445 7.534 1.00 0.00 H new ATOM 0 HB THR A 68 -2.838 -3.994 8.269 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.051 -2.346 9.739 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.028 -4.606 10.516 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.660 -5.869 9.317 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.377 -4.768 9.872 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.111 -6.593 6.871 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.635 -7.799 6.257 1.00 0.00 C ATOM 1057 C GLY A 69 -0.582 -8.878 6.109 1.00 0.00 C ATOM 1058 O GLY A 69 0.452 -8.842 6.775 1.00 0.00 O ATOM 0 H GLY A 69 -0.372 -6.748 7.557 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.460 -8.181 6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.042 -7.556 5.276 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.846 -9.843 5.233 1.00 0.00 N ATOM 1063 CA TYR A 70 0.085 -10.941 5.003 1.00 0.00 C ATOM 1064 C TYR A 70 1.339 -10.450 4.285 1.00 0.00 C ATOM 1065 O TYR A 70 1.264 -9.914 3.179 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.586 -12.044 4.183 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.677 -12.776 4.933 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -1.456 -13.271 6.212 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.927 -12.972 4.361 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -2.449 -13.941 6.899 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.928 -13.641 5.042 1.00 0.00 C ATOM 1072 CZ TYR A 70 -3.682 -14.123 6.311 1.00 0.00 C ATOM 1073 OH TYR A 70 -4.675 -14.789 6.993 1.00 0.00 O ATOM 0 H TYR A 70 -1.696 -9.886 4.672 1.00 0.00 H new ATOM 0 HA TYR A 70 0.377 -11.345 5.972 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -1.009 -11.607 3.278 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.171 -12.762 3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.491 -13.129 6.677 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.121 -12.596 3.367 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.260 -14.321 7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.895 -13.785 4.584 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.482 -14.830 6.438 1.00 0.00 H new ATOM 1083 N GLU A 71 2.490 -10.637 4.923 1.00 0.00 N ATOM 1084 CA GLU A 71 3.761 -10.213 4.345 1.00 0.00 C ATOM 1085 C GLU A 71 3.750 -10.379 2.828 1.00 0.00 C ATOM 1086 O GLU A 71 4.359 -9.593 2.102 1.00 0.00 O ATOM 1087 CB GLU A 71 4.914 -11.017 4.950 1.00 0.00 C ATOM 1088 CG GLU A 71 6.176 -10.999 4.104 1.00 0.00 C ATOM 1089 CD GLU A 71 7.238 -11.949 4.622 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.676 -11.776 5.779 1.00 0.00 O ATOM 1091 OE2 GLU A 71 7.633 -12.865 3.871 1.00 0.00 O ATOM 0 H GLU A 71 2.569 -11.079 5.839 1.00 0.00 H new ATOM 0 HA GLU A 71 3.903 -9.157 4.576 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.143 -10.620 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.593 -12.050 5.088 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.925 -11.266 3.077 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.579 -9.987 4.081 1.00 0.00 H new ATOM 1098 N LYS A 72 3.056 -11.409 2.356 1.00 0.00 N ATOM 1099 CA LYS A 72 2.964 -11.679 0.926 1.00 0.00 C ATOM 1100 C LYS A 72 1.989 -10.720 0.251 1.00 0.00 C ATOM 1101 O LYS A 72 2.380 -9.914 -0.592 1.00 0.00 O ATOM 1102 CB LYS A 72 2.522 -13.125 0.687 1.00 0.00 C ATOM 1103 CG LYS A 72 3.637 -14.140 0.868 1.00 0.00 C ATOM 1104 CD LYS A 72 3.345 -15.429 0.119 1.00 0.00 C ATOM 1105 CE LYS A 72 4.269 -16.553 0.562 1.00 0.00 C ATOM 1106 NZ LYS A 72 3.986 -17.822 -0.164 1.00 0.00 N ATOM 0 H LYS A 72 2.549 -12.071 2.943 1.00 0.00 H new ATOM 0 HA LYS A 72 3.952 -11.530 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.709 -13.365 1.372 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.124 -13.212 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.577 -13.717 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.765 -14.356 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.308 -15.721 0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.460 -15.263 -0.952 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.305 -16.260 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.156 -16.715 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.636 -18.563 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.005 -18.115 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.118 -17.675 -1.185 1.00 0.00 H new ATOM 1120 N ASN A 73 0.719 -10.812 0.630 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.312 -9.950 0.062 1.00 0.00 C ATOM 1122 C ASN A 73 0.123 -8.489 0.091 1.00 0.00 C ATOM 1123 O ASN A 73 -0.011 -7.769 -0.900 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.625 -10.118 0.829 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.413 -11.330 0.370 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -3.651 -11.443 0.837 1.00 0.00 O flip ATOM 1127 ND2 ASN A 73 -1.914 -12.154 -0.397 1.00 0.00 N flip ATOM 0 H ASN A 73 0.379 -11.474 1.327 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.465 -10.244 -0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.411 -10.209 1.894 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.234 -9.223 0.702 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.959 -12.027 -0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.456 -12.964 -0.699 1.00 0.00 H new ATOM 1134 N THR A 74 0.646 -8.055 1.234 1.00 0.00 N ATOM 1135 CA THR A 74 1.102 -6.680 1.393 1.00 0.00 C ATOM 1136 C THR A 74 2.068 -6.289 0.280 1.00 0.00 C ATOM 1137 O THR A 74 1.921 -5.236 -0.340 1.00 0.00 O ATOM 1138 CB THR A 74 1.792 -6.470 2.753 1.00 0.00 C ATOM 1139 OG1 THR A 74 2.853 -7.418 2.917 1.00 0.00 O ATOM 1140 CG2 THR A 74 0.796 -6.615 3.893 1.00 0.00 C ATOM 0 H THR A 74 0.764 -8.637 2.063 1.00 0.00 H new ATOM 0 HA THR A 74 0.217 -6.046 1.342 1.00 0.00 H new ATOM 0 HB THR A 74 2.202 -5.460 2.775 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.164 -7.404 3.846 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.307 -6.462 4.844 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.006 -5.873 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.361 -7.614 3.871 1.00 0.00 H new ATOM 1148 N GLU A 75 3.056 -7.143 0.032 1.00 0.00 N ATOM 1149 CA GLU A 75 4.046 -6.885 -1.006 1.00 0.00 C ATOM 1150 C GLU A 75 3.386 -6.811 -2.380 1.00 0.00 C ATOM 1151 O GLU A 75 3.838 -6.077 -3.259 1.00 0.00 O ATOM 1152 CB GLU A 75 5.120 -7.975 -1.001 1.00 0.00 C ATOM 1153 CG GLU A 75 6.139 -7.821 0.116 1.00 0.00 C ATOM 1154 CD GLU A 75 7.326 -6.970 -0.292 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.233 -5.730 -0.178 1.00 0.00 O ATOM 1156 OE2 GLU A 75 8.348 -7.544 -0.724 1.00 0.00 O ATOM 0 H GLU A 75 3.192 -8.019 0.536 1.00 0.00 H new ATOM 0 HA GLU A 75 4.515 -5.924 -0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.638 -8.948 -0.910 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.640 -7.966 -1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.656 -7.372 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.491 -8.807 0.421 1.00 0.00 H new ATOM 1163 N ALA A 76 2.316 -7.579 -2.558 1.00 0.00 N ATOM 1164 CA ALA A 76 1.594 -7.601 -3.824 1.00 0.00 C ATOM 1165 C ALA A 76 0.791 -6.318 -4.020 1.00 0.00 C ATOM 1166 O ALA A 76 0.636 -5.838 -5.142 1.00 0.00 O ATOM 1167 CB ALA A 76 0.677 -8.813 -3.888 1.00 0.00 C ATOM 0 H ALA A 76 1.930 -8.194 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 76 2.325 -7.669 -4.630 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.144 -8.816 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.270 -9.723 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.042 -8.769 -3.070 1.00 0.00 H new ATOM 1173 N ALA A 77 0.283 -5.770 -2.921 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.503 -4.543 -2.973 1.00 0.00 C ATOM 1175 C ALA A 77 0.400 -3.314 -2.973 1.00 0.00 C ATOM 1176 O ALA A 77 0.035 -2.265 -3.503 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.473 -4.489 -1.804 1.00 0.00 C ATOM 0 H ALA A 77 0.402 -6.156 -1.984 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.072 -4.543 -3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.053 -3.568 -1.855 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.146 -5.345 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.916 -4.515 -0.867 1.00 0.00 H new ATOM 1183 N ARG A 78 1.578 -3.450 -2.372 1.00 0.00 N ATOM 1184 CA ARG A 78 2.531 -2.350 -2.300 1.00 0.00 C ATOM 1185 C ARG A 78 3.167 -2.093 -3.663 1.00 0.00 C ATOM 1186 O ARG A 78 3.616 -0.983 -3.950 1.00 0.00 O ATOM 1187 CB ARG A 78 3.617 -2.654 -1.267 1.00 0.00 C ATOM 1188 CG ARG A 78 4.795 -3.430 -1.831 1.00 0.00 C ATOM 1189 CD ARG A 78 5.876 -2.499 -2.356 1.00 0.00 C ATOM 1190 NE ARG A 78 6.792 -3.182 -3.266 1.00 0.00 N ATOM 1191 CZ ARG A 78 8.030 -2.767 -3.512 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.497 -1.678 -2.917 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.802 -3.442 -4.353 1.00 0.00 N ATOM 0 H ARG A 78 1.895 -4.312 -1.928 1.00 0.00 H new ATOM 0 HA ARG A 78 1.991 -1.454 -1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.979 -1.716 -0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.178 -3.222 -0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.212 -4.073 -1.057 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.452 -4.081 -2.635 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.411 -1.659 -2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.438 -2.087 -1.518 1.00 0.00 H new ATOM 0 HE ARG A 78 6.463 -4.024 -3.739 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.906 -1.157 -2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.448 -1.361 -3.107 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.445 -4.280 -4.812 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.752 -3.123 -4.541 1.00 0.00 H new ATOM 1207 N ASP A 79 3.203 -3.125 -4.497 1.00 0.00 N ATOM 1208 CA ASP A 79 3.785 -3.011 -5.830 1.00 0.00 C ATOM 1209 C ASP A 79 2.980 -2.046 -6.694 1.00 0.00 C ATOM 1210 O ASP A 79 3.544 -1.219 -7.410 1.00 0.00 O ATOM 1211 CB ASP A 79 3.847 -4.384 -6.502 1.00 0.00 C ATOM 1212 CG ASP A 79 4.308 -4.303 -7.944 1.00 0.00 C ATOM 1213 OD1 ASP A 79 5.497 -3.999 -8.169 1.00 0.00 O ATOM 1214 OD2 ASP A 79 3.479 -4.544 -8.846 1.00 0.00 O ATOM 0 H ASP A 79 2.836 -4.050 -4.275 1.00 0.00 H new ATOM 0 HA ASP A 79 4.797 -2.620 -5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.525 -5.029 -5.943 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.862 -4.849 -6.464 1.00 0.00 H new ATOM 1219 N ALA A 80 1.657 -2.157 -6.620 1.00 0.00 N ATOM 1220 CA ALA A 80 0.775 -1.292 -7.395 1.00 0.00 C ATOM 1221 C ALA A 80 1.056 0.178 -7.107 1.00 0.00 C ATOM 1222 O ALA A 80 1.355 0.952 -8.017 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.681 -1.622 -7.096 1.00 0.00 C ATOM 0 H ALA A 80 1.173 -2.836 -6.032 1.00 0.00 H new ATOM 0 HA ALA A 80 0.968 -1.470 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.329 -0.969 -7.681 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.880 -2.661 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.877 -1.472 -6.034 1.00 0.00 H new ATOM 1229 N ILE A 81 0.956 0.557 -5.838 1.00 0.00 N ATOM 1230 CA ILE A 81 1.201 1.936 -5.432 1.00 0.00 C ATOM 1231 C ILE A 81 2.366 2.540 -6.207 1.00 0.00 C ATOM 1232 O ILE A 81 2.334 3.711 -6.588 1.00 0.00 O ATOM 1233 CB ILE A 81 1.496 2.035 -3.924 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.314 1.498 -3.113 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.799 3.475 -3.536 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.598 1.386 -1.632 1.00 0.00 C ATOM 0 H ILE A 81 0.707 -0.070 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 81 0.292 2.495 -5.654 1.00 0.00 H new ATOM 0 HB ILE A 81 2.372 1.426 -3.701 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.545 2.152 -3.261 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.037 0.516 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.005 3.528 -2.467 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.669 3.826 -4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.940 4.104 -3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.283 0.999 -1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.437 0.708 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.846 2.370 -1.234 1.00 0.00 H new ATOM 1248 N LEU A 82 3.395 1.732 -6.441 1.00 0.00 N ATOM 1249 CA LEU A 82 4.572 2.186 -7.175 1.00 0.00 C ATOM 1250 C LEU A 82 4.332 2.125 -8.679 1.00 0.00 C ATOM 1251 O LEU A 82 4.650 3.066 -9.406 1.00 0.00 O ATOM 1252 CB LEU A 82 5.787 1.332 -6.806 1.00 0.00 C ATOM 1253 CG LEU A 82 6.015 1.102 -5.311 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.016 -0.024 -5.092 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.493 2.381 -4.640 1.00 0.00 C ATOM 0 H LEU A 82 3.438 0.760 -6.134 1.00 0.00 H new ATOM 0 HA LEU A 82 4.766 3.222 -6.898 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.685 0.361 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.678 1.804 -7.221 1.00 0.00 H new ATOM 0 HG LEU A 82 5.067 0.812 -4.859 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.166 -0.174 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.634 -0.942 -5.537 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.966 0.237 -5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.650 2.198 -3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.430 2.702 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.742 3.161 -4.767 1.00 0.00 H new ATOM 1267 N ARG A 83 3.768 1.014 -9.140 1.00 0.00 N ATOM 1268 CA ARG A 83 3.485 0.831 -10.559 1.00 0.00 C ATOM 1269 C ARG A 83 2.771 2.051 -11.132 1.00 0.00 C ATOM 1270 O ARG A 83 2.935 2.384 -12.306 1.00 0.00 O ATOM 1271 CB ARG A 83 2.632 -0.421 -10.773 1.00 0.00 C ATOM 1272 CG ARG A 83 2.859 -1.090 -12.118 1.00 0.00 C ATOM 1273 CD ARG A 83 2.485 -2.563 -12.078 1.00 0.00 C ATOM 1274 NE ARG A 83 3.612 -3.403 -11.682 1.00 0.00 N ATOM 1275 CZ ARG A 83 3.539 -4.724 -11.568 1.00 0.00 C ATOM 1276 NH1 ARG A 83 2.400 -5.353 -11.820 1.00 0.00 N ATOM 1277 NH2 ARG A 83 4.608 -5.420 -11.202 1.00 0.00 N ATOM 0 H ARG A 83 3.498 0.226 -8.551 1.00 0.00 H new ATOM 0 HA ARG A 83 4.434 0.709 -11.081 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.847 -1.137 -9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.579 -0.153 -10.683 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.268 -0.584 -12.881 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.906 -0.987 -12.405 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.661 -2.709 -11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.129 -2.873 -13.060 1.00 0.00 H new ATOM 0 HE ARG A 83 4.504 -2.950 -11.482 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.576 -4.822 -12.103 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.347 -6.368 -11.731 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.487 -4.940 -11.008 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.551 -6.435 -11.115 1.00 0.00 H new ATOM 1291 N ILE A 84 1.979 2.714 -10.296 1.00 0.00 N ATOM 1292 CA ILE A 84 1.240 3.897 -10.719 1.00 0.00 C ATOM 1293 C ILE A 84 2.158 5.112 -10.816 1.00 0.00 C ATOM 1294 O ILE A 84 2.253 5.748 -11.865 1.00 0.00 O ATOM 1295 CB ILE A 84 0.086 4.216 -9.752 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.815 2.992 -9.577 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.718 5.403 -10.260 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.544 2.962 -8.252 1.00 0.00 C ATOM 0 H ILE A 84 1.833 2.452 -9.321 1.00 0.00 H new ATOM 0 HA ILE A 84 0.827 3.676 -11.703 1.00 0.00 H new ATOM 0 HB ILE A 84 0.507 4.476 -8.781 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.546 2.971 -10.385 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.211 2.090 -9.670 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.530 5.616 -9.565 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.069 6.275 -10.338 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.131 5.169 -11.241 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.164 2.067 -8.198 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.819 2.952 -7.438 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.175 3.846 -8.164 1.00 0.00 H new ATOM 1310 N VAL A 85 2.833 5.426 -9.715 1.00 0.00 N ATOM 1311 CA VAL A 85 3.746 6.563 -9.676 1.00 0.00 C ATOM 1312 C VAL A 85 4.569 6.649 -10.956 1.00 0.00 C ATOM 1313 O VAL A 85 4.532 7.656 -11.663 1.00 0.00 O ATOM 1314 CB VAL A 85 4.699 6.476 -8.470 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.797 7.523 -8.580 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.927 6.636 -7.169 1.00 0.00 C ATOM 0 H VAL A 85 2.765 4.909 -8.838 1.00 0.00 H new ATOM 0 HA VAL A 85 3.133 7.459 -9.580 1.00 0.00 H new ATOM 0 HB VAL A 85 5.168 5.492 -8.469 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.461 7.446 -7.719 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.368 7.357 -9.494 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.351 8.517 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.616 6.572 -6.327 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.430 7.606 -7.158 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.181 5.845 -7.089 1.00 0.00 H new ATOM 1326 N GLY A 86 5.312 5.587 -11.248 1.00 0.00 N ATOM 1327 CA GLY A 86 6.135 5.564 -12.445 1.00 0.00 C ATOM 1328 C GLY A 86 5.457 6.226 -13.627 1.00 0.00 C ATOM 1329 O GLY A 86 6.106 6.908 -14.419 1.00 0.00 O ATOM 0 H GLY A 86 5.360 4.742 -10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.080 6.069 -12.242 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.373 4.531 -12.699 1.00 0.00 H new ATOM 1333 N GLU A 87 4.150 6.022 -13.749 1.00 0.00 N ATOM 1334 CA GLU A 87 3.385 6.603 -14.846 1.00 0.00 C ATOM 1335 C GLU A 87 3.053 8.066 -14.564 1.00 0.00 C ATOM 1336 O GLU A 87 3.289 8.941 -15.399 1.00 0.00 O ATOM 1337 CB GLU A 87 2.095 5.811 -15.074 1.00 0.00 C ATOM 1338 CG GLU A 87 2.200 4.349 -14.676 1.00 0.00 C ATOM 1339 CD GLU A 87 1.305 3.452 -15.507 1.00 0.00 C ATOM 1340 OE1 GLU A 87 0.106 3.341 -15.177 1.00 0.00 O ATOM 1341 OE2 GLU A 87 1.803 2.861 -16.488 1.00 0.00 O ATOM 0 H GLU A 87 3.598 5.459 -13.102 1.00 0.00 H new ATOM 0 HA GLU A 87 3.997 6.554 -15.747 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.288 6.276 -14.507 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.822 5.873 -16.127 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.234 4.021 -14.781 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.937 4.243 -13.623 1.00 0.00 H new ATOM 1348 N LEU A 88 2.505 8.324 -13.382 1.00 0.00 N ATOM 1349 CA LEU A 88 2.140 9.680 -12.988 1.00 0.00 C ATOM 1350 C LEU A 88 3.255 10.665 -13.327 1.00 0.00 C ATOM 1351 O LEU A 88 2.994 11.787 -13.758 1.00 0.00 O ATOM 1352 CB LEU A 88 1.836 9.733 -11.490 1.00 0.00 C ATOM 1353 CG LEU A 88 0.991 8.586 -10.935 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.661 8.826 -9.470 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.282 8.418 -11.751 1.00 0.00 C ATOM 0 H LEU A 88 2.304 7.612 -12.680 1.00 0.00 H new ATOM 0 HA LEU A 88 1.247 9.965 -13.544 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.782 9.756 -10.948 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.324 10.671 -11.277 1.00 0.00 H new ATOM 0 HG LEU A 88 1.570 7.665 -11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.059 7.999 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.585 8.894 -8.895 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.102 9.757 -9.371 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.871 7.597 -11.342 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.865 9.338 -11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.024 8.198 -12.787 1.00 0.00 H new