USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 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 22 THR OG1 : rot 180:sc= 0.317 USER MOD Set 1.2: A 64 GLN : amide:sc= -0.604 X(o=-0.29,f=-0.18!) USER MOD Single : A 16 SER OG : rot -51:sc= 0.13 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= -0.324 (180deg=-1.68!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -7.38! C(o=-7.4!,f=-8.9!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 96:sc= 1.29 USER MOD Single : A 41 GLN : amide:sc= -0.055 X(o=-0.055,f=-0.055) USER MOD Single : A 46 HIS : no HD1:sc= -1.8 X(o=-1.8,f=-2.1!) USER MOD Single : A 49 ASN : amide:sc= -0.725 K(o=-0.72,f=-6.1!) USER MOD Single : A 51 GLN :FLIP amide:sc= -0.843! F(o=-1.7,f=-0.84!) USER MOD Single : A 55 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0148) USER MOD Single : A 59 ASN : amide:sc= -0.0287 X(o=-0.029,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.326 K(o=-0.33,f=-2.1!) USER MOD Single : A 62 GLN : amide:sc= -9! C(o=-9!,f=-14!) USER MOD Single : A 66 THR OG1 : rot 43:sc= 1.33 USER MOD Single : A 68 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+ -160:sc= -0.0448 (180deg=-0.294) USER MOD Single : A 73 ASN : amide:sc= -0.384 K(o=-0.38,f=-1.3) USER MOD Single : A 74 THR OG1 : rot 151:sc= 0.697 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 2.416 -12.939 11.520 1.00 0.00 N ATOM 160 CA LEU A 14 2.238 -12.790 10.080 1.00 0.00 C ATOM 161 C LEU A 14 1.186 -11.731 9.768 1.00 0.00 C ATOM 162 O LEU A 14 1.355 -10.925 8.853 1.00 0.00 O ATOM 163 CB LEU A 14 1.833 -14.127 9.456 1.00 0.00 C ATOM 164 CG LEU A 14 2.922 -15.199 9.400 1.00 0.00 C ATOM 165 CD1 LEU A 14 2.320 -16.554 9.062 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.991 -14.820 8.386 1.00 0.00 C ATOM 0 HA LEU A 14 3.188 -12.469 9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.987 -14.525 10.017 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.483 -13.940 8.441 1.00 0.00 H new ATOM 0 HG LEU A 14 3.389 -15.267 10.382 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.110 -17.304 9.026 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.592 -16.829 9.825 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.826 -16.501 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.758 -15.594 8.359 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.538 -14.723 7.399 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.444 -13.871 8.672 1.00 0.00 H new ATOM 178 N ARG A 15 0.102 -11.737 10.536 1.00 0.00 N ATOM 179 CA ARG A 15 -0.978 -10.776 10.343 1.00 0.00 C ATOM 180 C ARG A 15 -0.611 -9.420 10.941 1.00 0.00 C ATOM 181 O ARG A 15 -1.291 -8.422 10.702 1.00 0.00 O ATOM 182 CB ARG A 15 -2.270 -11.293 10.976 1.00 0.00 C ATOM 183 CG ARG A 15 -2.347 -11.065 12.477 1.00 0.00 C ATOM 184 CD ARG A 15 -3.729 -11.390 13.020 1.00 0.00 C ATOM 185 NE ARG A 15 -4.726 -10.408 12.601 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.829 -9.193 13.128 1.00 0.00 C ATOM 187 NH1 ARG A 15 -4.000 -8.812 14.089 1.00 0.00 N ATOM 188 NH2 ARG A 15 -5.763 -8.357 12.693 1.00 0.00 N ATOM 0 H ARG A 15 -0.052 -12.397 11.298 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.133 -10.652 9.271 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.119 -10.804 10.499 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.362 -12.360 10.774 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.603 -11.684 12.979 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -2.102 -10.027 12.701 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.029 -12.380 12.678 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.691 -11.427 14.109 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.379 -10.670 11.863 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -3.281 -9.452 14.426 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.081 -7.879 14.492 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -6.403 -8.647 11.953 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.841 -7.424 13.098 1.00 0.00 H new ATOM 202 N SER A 16 0.464 -9.395 11.721 1.00 0.00 N ATOM 203 CA SER A 16 0.917 -8.163 12.358 1.00 0.00 C ATOM 204 C SER A 16 2.101 -7.565 11.603 1.00 0.00 C ATOM 205 O SER A 16 2.897 -6.815 12.168 1.00 0.00 O ATOM 206 CB SER A 16 1.307 -8.430 13.812 1.00 0.00 C ATOM 207 OG SER A 16 1.325 -7.228 14.564 1.00 0.00 O ATOM 0 H SER A 16 1.038 -10.213 11.928 1.00 0.00 H new ATOM 0 HA SER A 16 0.095 -7.447 12.335 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.602 -9.131 14.258 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.290 -8.900 13.848 1.00 0.00 H new ATOM 0 HG SER A 16 1.862 -6.556 14.094 1.00 0.00 H new ATOM 213 N PHE A 17 2.209 -7.902 10.322 1.00 0.00 N ATOM 214 CA PHE A 17 3.295 -7.400 9.488 1.00 0.00 C ATOM 215 C PHE A 17 2.972 -6.007 8.956 1.00 0.00 C ATOM 216 O PHE A 17 1.997 -5.818 8.227 1.00 0.00 O ATOM 217 CB PHE A 17 3.555 -8.356 8.323 1.00 0.00 C ATOM 218 CG PHE A 17 4.245 -7.707 7.158 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.523 -6.976 6.228 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.616 -7.828 6.991 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.155 -6.378 5.154 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.253 -7.232 5.919 1.00 0.00 C ATOM 223 CZ PHE A 17 5.522 -6.505 5.000 1.00 0.00 C ATOM 0 H PHE A 17 1.558 -8.521 9.839 1.00 0.00 H new ATOM 0 HA PHE A 17 4.193 -7.336 10.103 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.162 -9.190 8.676 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.606 -8.773 7.987 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.454 -6.872 6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.193 -8.395 7.707 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.581 -5.812 4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.322 -7.335 5.800 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.018 -6.037 4.163 1.00 0.00 H new ATOM 233 N LYS A 18 3.798 -5.034 9.325 1.00 0.00 N ATOM 234 CA LYS A 18 3.603 -3.657 8.885 1.00 0.00 C ATOM 235 C LYS A 18 4.642 -3.269 7.839 1.00 0.00 C ATOM 236 O LYS A 18 5.846 -3.380 8.072 1.00 0.00 O ATOM 237 CB LYS A 18 3.685 -2.702 10.079 1.00 0.00 C ATOM 238 CG LYS A 18 3.614 -1.236 9.690 1.00 0.00 C ATOM 239 CD LYS A 18 3.893 -0.330 10.879 1.00 0.00 C ATOM 240 CE LYS A 18 2.730 -0.323 11.859 1.00 0.00 C ATOM 241 NZ LYS A 18 3.092 0.337 13.145 1.00 0.00 N ATOM 0 H LYS A 18 4.609 -5.173 9.928 1.00 0.00 H new ATOM 0 HA LYS A 18 2.613 -3.582 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.872 -2.926 10.769 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.617 -2.883 10.615 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.336 -1.033 8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.627 -1.013 9.285 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.797 -0.664 11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.081 0.685 10.528 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.881 0.194 11.412 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.413 -1.348 12.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.273 0.321 13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.885 -0.171 13.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.371 1.322 12.963 1.00 0.00 H new ATOM 255 N LEU A 19 4.169 -2.811 6.685 1.00 0.00 N ATOM 256 CA LEU A 19 5.057 -2.404 5.601 1.00 0.00 C ATOM 257 C LEU A 19 4.886 -0.922 5.284 1.00 0.00 C ATOM 258 O LEU A 19 3.788 -0.376 5.393 1.00 0.00 O ATOM 259 CB LEU A 19 4.784 -3.240 4.349 1.00 0.00 C ATOM 260 CG LEU A 19 5.394 -2.718 3.048 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.839 -3.172 2.917 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.577 -3.184 1.851 1.00 0.00 C ATOM 0 H LEU A 19 3.176 -2.712 6.476 1.00 0.00 H new ATOM 0 HA LEU A 19 6.084 -2.571 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.157 -4.250 4.522 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.705 -3.317 4.216 1.00 0.00 H new ATOM 0 HG LEU A 19 5.377 -1.628 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.257 -2.791 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.418 -2.790 3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.879 -4.261 2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.026 -2.803 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.562 -4.274 1.823 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.557 -2.810 1.939 1.00 0.00 H new ATOM 274 N SER A 20 5.979 -0.276 4.891 1.00 0.00 N ATOM 275 CA SER A 20 5.951 1.144 4.560 1.00 0.00 C ATOM 276 C SER A 20 6.489 1.385 3.153 1.00 0.00 C ATOM 277 O SER A 20 7.666 1.151 2.877 1.00 0.00 O ATOM 278 CB SER A 20 6.770 1.942 5.575 1.00 0.00 C ATOM 279 OG SER A 20 5.962 2.380 6.653 1.00 0.00 O ATOM 0 H SER A 20 6.895 -0.713 4.794 1.00 0.00 H new ATOM 0 HA SER A 20 4.915 1.480 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.585 1.325 5.955 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.224 2.803 5.084 1.00 0.00 H new ATOM 0 HG SER A 20 6.510 2.886 7.288 1.00 0.00 H new ATOM 285 N VAL A 21 5.618 1.853 2.264 1.00 0.00 N ATOM 286 CA VAL A 21 6.003 2.127 0.885 1.00 0.00 C ATOM 287 C VAL A 21 6.528 3.550 0.734 1.00 0.00 C ATOM 288 O VAL A 21 5.845 4.515 1.080 1.00 0.00 O ATOM 289 CB VAL A 21 4.821 1.920 -0.080 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.317 1.789 -1.512 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.009 0.700 0.326 1.00 0.00 C ATOM 0 H VAL A 21 4.640 2.050 2.475 1.00 0.00 H new ATOM 0 HA VAL A 21 6.795 1.423 0.631 1.00 0.00 H new ATOM 0 HB VAL A 21 4.172 2.794 -0.025 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.468 1.643 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.851 2.696 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.989 0.934 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.178 0.569 -0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.645 -0.185 0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.621 0.840 1.335 1.00 0.00 H new ATOM 301 N THR A 22 7.745 3.675 0.213 1.00 0.00 N ATOM 302 CA THR A 22 8.361 4.981 0.016 1.00 0.00 C ATOM 303 C THR A 22 7.900 5.614 -1.291 1.00 0.00 C ATOM 304 O THR A 22 8.412 5.293 -2.364 1.00 0.00 O ATOM 305 CB THR A 22 9.898 4.881 0.011 1.00 0.00 C ATOM 306 OG1 THR A 22 10.349 4.184 1.178 1.00 0.00 O ATOM 307 CG2 THR A 22 10.530 6.263 -0.035 1.00 0.00 C ATOM 0 H THR A 22 8.323 2.887 -0.080 1.00 0.00 H new ATOM 0 HA THR A 22 8.048 5.608 0.851 1.00 0.00 H new ATOM 0 HB THR A 22 10.200 4.330 -0.880 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.327 4.124 1.166 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.616 6.167 -0.038 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.209 6.780 -0.940 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.219 6.835 0.839 1.00 0.00 H new ATOM 315 N VAL A 23 6.928 6.517 -1.195 1.00 0.00 N ATOM 316 CA VAL A 23 6.399 7.199 -2.370 1.00 0.00 C ATOM 317 C VAL A 23 6.029 8.642 -2.049 1.00 0.00 C ATOM 318 O VAL A 23 5.297 8.908 -1.095 1.00 0.00 O ATOM 319 CB VAL A 23 5.160 6.474 -2.928 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.500 7.305 -4.018 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.539 5.097 -3.453 1.00 0.00 C ATOM 0 H VAL A 23 6.491 6.793 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 23 7.187 7.189 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 23 4.442 6.344 -2.118 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.627 6.776 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.191 8.266 -3.606 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.209 7.469 -4.830 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.651 4.599 -3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.276 5.201 -4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.962 4.502 -2.643 1.00 0.00 H new ATOM 331 N ASP A 24 6.538 9.571 -2.851 1.00 0.00 N ATOM 332 CA ASP A 24 6.260 10.988 -2.653 1.00 0.00 C ATOM 333 C ASP A 24 4.806 11.204 -2.244 1.00 0.00 C ATOM 334 O ASP A 24 3.896 10.514 -2.705 1.00 0.00 O ATOM 335 CB ASP A 24 6.565 11.773 -3.930 1.00 0.00 C ATOM 336 CG ASP A 24 8.011 11.633 -4.363 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.333 10.637 -5.044 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.820 12.521 -4.022 1.00 0.00 O ATOM 0 H ASP A 24 7.146 9.368 -3.645 1.00 0.00 H new ATOM 0 HA ASP A 24 6.903 11.351 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.913 11.425 -4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.337 12.827 -3.769 1.00 0.00 H new ATOM 343 N PRO A 25 4.580 12.184 -1.356 1.00 0.00 N ATOM 344 CA PRO A 25 3.239 12.513 -0.864 1.00 0.00 C ATOM 345 C PRO A 25 2.368 13.154 -1.941 1.00 0.00 C ATOM 346 O PRO A 25 1.163 13.325 -1.758 1.00 0.00 O ATOM 347 CB PRO A 25 3.510 13.509 0.267 1.00 0.00 C ATOM 348 CG PRO A 25 4.824 14.122 -0.077 1.00 0.00 C ATOM 349 CD PRO A 25 5.617 13.047 -0.764 1.00 0.00 C ATOM 0 HA PRO A 25 2.692 11.625 -0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.725 14.263 0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.547 13.009 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.693 14.986 -0.728 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.337 14.473 0.818 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.279 13.460 -1.525 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.243 12.498 -0.061 1.00 0.00 H new ATOM 357 N LYS A 26 2.986 13.507 -3.062 1.00 0.00 N ATOM 358 CA LYS A 26 2.268 14.126 -4.169 1.00 0.00 C ATOM 359 C LYS A 26 1.357 13.118 -4.861 1.00 0.00 C ATOM 360 O LYS A 26 0.218 13.430 -5.207 1.00 0.00 O ATOM 361 CB LYS A 26 3.256 14.715 -5.179 1.00 0.00 C ATOM 362 CG LYS A 26 4.144 13.674 -5.839 1.00 0.00 C ATOM 363 CD LYS A 26 5.129 14.312 -6.804 1.00 0.00 C ATOM 364 CE LYS A 26 6.427 14.688 -6.107 1.00 0.00 C ATOM 365 NZ LYS A 26 6.285 15.937 -5.308 1.00 0.00 N ATOM 0 H LYS A 26 3.984 13.375 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 26 1.650 14.927 -3.764 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.700 15.248 -5.950 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.884 15.449 -4.674 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.689 13.122 -5.074 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.525 12.953 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.340 13.621 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.682 15.202 -7.247 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.738 13.873 -5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.214 14.819 -6.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.162 16.493 -5.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.491 16.498 -5.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.103 15.694 -4.313 1.00 0.00 H new ATOM 379 N TYR A 27 1.867 11.906 -5.058 1.00 0.00 N ATOM 380 CA TYR A 27 1.099 10.851 -5.709 1.00 0.00 C ATOM 381 C TYR A 27 0.157 10.172 -4.719 1.00 0.00 C ATOM 382 O TYR A 27 -0.828 9.547 -5.111 1.00 0.00 O ATOM 383 CB TYR A 27 2.040 9.815 -6.327 1.00 0.00 C ATOM 384 CG TYR A 27 3.120 10.420 -7.196 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.821 11.415 -8.118 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.439 9.996 -7.094 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.804 11.969 -8.915 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.429 10.546 -7.885 1.00 0.00 C ATOM 389 CZ TYR A 27 5.106 11.532 -8.794 1.00 0.00 C ATOM 390 OH TYR A 27 6.089 12.083 -9.584 1.00 0.00 O ATOM 0 H TYR A 27 2.808 11.631 -4.776 1.00 0.00 H new ATOM 0 HA TYR A 27 0.500 11.306 -6.498 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.508 9.239 -5.528 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.455 9.115 -6.924 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.803 11.761 -8.213 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.695 9.223 -6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 27 3.554 12.740 -9.629 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.450 10.206 -7.792 1.00 0.00 H new ATOM 0 HH TYR A 27 6.950 11.665 -9.374 1.00 0.00 H new ATOM 400 N HIS A 28 0.466 10.302 -3.433 1.00 0.00 N ATOM 401 CA HIS A 28 -0.352 9.703 -2.386 1.00 0.00 C ATOM 402 C HIS A 28 -1.834 9.950 -2.648 1.00 0.00 C ATOM 403 O HIS A 28 -2.627 9.019 -2.797 1.00 0.00 O ATOM 404 CB HIS A 28 0.037 10.268 -1.019 1.00 0.00 C ATOM 405 CG HIS A 28 1.052 9.438 -0.296 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.247 9.506 1.068 1.00 0.00 N ATOM 407 CD2 HIS A 28 1.933 8.518 -0.753 1.00 0.00 C ATOM 408 CE1 HIS A 28 2.203 8.665 1.417 1.00 0.00 C ATOM 409 NE2 HIS A 28 2.636 8.051 0.330 1.00 0.00 N ATOM 0 H HIS A 28 1.277 10.817 -3.091 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.174 8.628 -2.390 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.430 11.276 -1.150 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.857 10.353 -0.402 1.00 0.00 H new ATOM 0 HD1 HIS A 28 0.733 10.112 1.707 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.060 8.208 -1.780 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.569 8.506 2.421 1.00 0.00 H new ATOM 417 N PRO A 29 -2.221 11.233 -2.703 1.00 0.00 N ATOM 418 CA PRO A 29 -3.611 11.632 -2.946 1.00 0.00 C ATOM 419 C PRO A 29 -4.058 11.333 -4.374 1.00 0.00 C ATOM 420 O PRO A 29 -5.228 11.500 -4.716 1.00 0.00 O ATOM 421 CB PRO A 29 -3.596 13.142 -2.696 1.00 0.00 C ATOM 422 CG PRO A 29 -2.189 13.555 -2.956 1.00 0.00 C ATOM 423 CD PRO A 29 -1.331 12.394 -2.534 1.00 0.00 C ATOM 0 HA PRO A 29 -4.309 11.088 -2.309 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.289 13.660 -3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -3.895 13.377 -1.675 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.039 13.788 -4.010 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.935 14.453 -2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.438 12.309 -3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.996 12.496 -1.502 1.00 0.00 H new ATOM 431 N LYS A 30 -3.119 10.889 -5.202 1.00 0.00 N ATOM 432 CA LYS A 30 -3.416 10.565 -6.593 1.00 0.00 C ATOM 433 C LYS A 30 -3.705 9.076 -6.754 1.00 0.00 C ATOM 434 O LYS A 30 -4.299 8.655 -7.747 1.00 0.00 O ATOM 435 CB LYS A 30 -2.247 10.969 -7.493 1.00 0.00 C ATOM 436 CG LYS A 30 -2.007 12.468 -7.544 1.00 0.00 C ATOM 437 CD LYS A 30 -3.038 13.168 -8.414 1.00 0.00 C ATOM 438 CE LYS A 30 -2.766 12.940 -9.893 1.00 0.00 C ATOM 439 NZ LYS A 30 -3.987 13.143 -10.719 1.00 0.00 N ATOM 0 H LYS A 30 -2.145 10.745 -4.934 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.304 11.124 -6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.341 10.476 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.435 10.605 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.043 12.878 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.008 12.665 -7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.034 12.802 -8.165 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.029 14.237 -8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.984 13.621 -10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.391 11.927 -10.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.760 12.978 -11.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.725 12.476 -10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.330 14.117 -10.598 1.00 0.00 H new ATOM 453 N ILE A 31 -3.284 8.287 -5.772 1.00 0.00 N ATOM 454 CA ILE A 31 -3.501 6.846 -5.805 1.00 0.00 C ATOM 455 C ILE A 31 -4.834 6.475 -5.165 1.00 0.00 C ATOM 456 O ILE A 31 -5.537 5.585 -5.643 1.00 0.00 O ATOM 457 CB ILE A 31 -2.370 6.089 -5.083 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.018 6.425 -5.715 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.624 4.590 -5.126 1.00 0.00 C ATOM 460 CD1 ILE A 31 0.142 6.326 -4.750 1.00 0.00 C ATOM 0 H ILE A 31 -2.791 8.621 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.511 6.553 -6.855 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.350 6.404 -4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.841 5.752 -6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.057 7.436 -6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.816 4.069 -4.612 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.571 4.367 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.667 4.258 -6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.068 6.578 -5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.012 7.020 -3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.208 5.309 -4.363 1.00 0.00 H new ATOM 472 N ILE A 32 -5.177 7.167 -4.082 1.00 0.00 N ATOM 473 CA ILE A 32 -6.428 6.911 -3.379 1.00 0.00 C ATOM 474 C ILE A 32 -7.595 6.804 -4.353 1.00 0.00 C ATOM 475 O ILE A 32 -8.389 5.866 -4.287 1.00 0.00 O ATOM 476 CB ILE A 32 -6.731 8.019 -2.352 1.00 0.00 C ATOM 477 CG1 ILE A 32 -5.665 8.034 -1.255 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.115 7.820 -1.751 1.00 0.00 C ATOM 479 CD1 ILE A 32 -5.623 9.327 -0.471 1.00 0.00 C ATOM 0 H ILE A 32 -4.607 7.908 -3.674 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.308 5.962 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.713 8.982 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -5.850 7.208 -0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.688 7.860 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.315 8.610 -1.027 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.864 7.855 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.159 6.852 -1.252 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.844 9.266 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.407 10.155 -1.146 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.587 9.493 0.010 1.00 0.00 H new ATOM 491 N GLY A 33 -7.693 7.771 -5.261 1.00 0.00 N ATOM 492 CA GLY A 33 -8.765 7.766 -6.239 1.00 0.00 C ATOM 493 C GLY A 33 -9.685 8.962 -6.096 1.00 0.00 C ATOM 494 O GLY A 33 -9.860 9.492 -4.999 1.00 0.00 O ATOM 0 H GLY A 33 -7.048 8.558 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.338 7.758 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.346 6.850 -6.132 1.00 0.00 H new ATOM 498 N ARG A 34 -10.274 9.388 -7.208 1.00 0.00 N ATOM 499 CA ARG A 34 -11.180 10.532 -7.203 1.00 0.00 C ATOM 500 C ARG A 34 -12.229 10.389 -6.105 1.00 0.00 C ATOM 501 O ARG A 34 -12.485 11.327 -5.350 1.00 0.00 O ATOM 502 CB ARG A 34 -11.866 10.672 -8.564 1.00 0.00 C ATOM 503 CG ARG A 34 -11.005 11.358 -9.612 1.00 0.00 C ATOM 504 CD ARG A 34 -11.604 11.221 -11.002 1.00 0.00 C ATOM 505 NE ARG A 34 -11.475 9.861 -11.522 1.00 0.00 N ATOM 506 CZ ARG A 34 -12.083 9.436 -12.623 1.00 0.00 C ATOM 507 NH1 ARG A 34 -12.857 10.257 -13.318 1.00 0.00 N ATOM 508 NH2 ARG A 34 -11.915 8.185 -13.032 1.00 0.00 N ATOM 0 H ARG A 34 -10.141 8.959 -8.124 1.00 0.00 H new ATOM 0 HA ARG A 34 -10.592 11.429 -7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -12.143 9.682 -8.925 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.790 11.236 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.899 12.414 -9.363 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.004 10.926 -9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -12.657 11.499 -10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.110 11.917 -11.680 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.886 9.203 -11.011 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.988 11.220 -13.008 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.322 9.926 -14.163 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.319 7.550 -12.501 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.382 7.858 -13.878 1.00 0.00 H new ATOM 522 N LYS A 35 -12.835 9.209 -6.022 1.00 0.00 N ATOM 523 CA LYS A 35 -13.856 8.942 -5.016 1.00 0.00 C ATOM 524 C LYS A 35 -13.308 8.048 -3.908 1.00 0.00 C ATOM 525 O LYS A 35 -13.709 8.161 -2.751 1.00 0.00 O ATOM 526 CB LYS A 35 -15.078 8.284 -5.662 1.00 0.00 C ATOM 527 CG LYS A 35 -15.987 9.263 -6.383 1.00 0.00 C ATOM 528 CD LYS A 35 -17.301 8.612 -6.784 1.00 0.00 C ATOM 529 CE LYS A 35 -18.287 8.588 -5.626 1.00 0.00 C ATOM 530 NZ LYS A 35 -19.620 8.072 -6.044 1.00 0.00 N ATOM 0 H LYS A 35 -12.636 8.422 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.154 9.893 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -14.741 7.526 -6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.652 7.768 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.186 10.119 -5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.482 9.643 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.736 9.155 -7.623 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.115 7.594 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.891 7.964 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -18.397 9.594 -5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -20.264 8.071 -5.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -20.010 8.682 -6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -19.519 7.102 -6.406 1.00 0.00 H new ATOM 544 N GLY A 36 -12.390 7.159 -4.273 1.00 0.00 N ATOM 545 CA GLY A 36 -11.802 6.260 -3.298 1.00 0.00 C ATOM 546 C GLY A 36 -12.024 4.801 -3.646 1.00 0.00 C ATOM 547 O GLY A 36 -11.479 3.910 -2.994 1.00 0.00 O ATOM 0 H GLY A 36 -12.043 7.045 -5.225 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.732 6.455 -3.228 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -12.228 6.465 -2.316 1.00 0.00 H new ATOM 551 N ALA A 37 -12.827 4.556 -4.677 1.00 0.00 N ATOM 552 CA ALA A 37 -13.120 3.196 -5.110 1.00 0.00 C ATOM 553 C ALA A 37 -11.871 2.514 -5.660 1.00 0.00 C ATOM 554 O ALA A 37 -11.854 1.301 -5.867 1.00 0.00 O ATOM 555 CB ALA A 37 -14.224 3.201 -6.156 1.00 0.00 C ATOM 0 H ALA A 37 -13.286 5.282 -5.227 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.459 2.630 -4.242 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.432 2.178 -6.470 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -15.126 3.641 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.906 3.788 -7.018 1.00 0.00 H new ATOM 561 N VAL A 38 -10.828 3.303 -5.896 1.00 0.00 N ATOM 562 CA VAL A 38 -9.574 2.775 -6.422 1.00 0.00 C ATOM 563 C VAL A 38 -8.805 2.014 -5.349 1.00 0.00 C ATOM 564 O VAL A 38 -8.712 0.786 -5.391 1.00 0.00 O ATOM 565 CB VAL A 38 -8.681 3.900 -6.978 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.415 3.322 -7.593 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.445 4.733 -7.995 1.00 0.00 C ATOM 0 H VAL A 38 -10.826 4.310 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.833 2.093 -7.232 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.391 4.551 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.796 4.131 -7.981 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.859 2.773 -6.833 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.681 2.647 -8.407 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.799 5.523 -8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.766 4.096 -8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.319 5.178 -7.518 1.00 0.00 H new ATOM 577 N ILE A 39 -8.256 2.749 -4.388 1.00 0.00 N ATOM 578 CA ILE A 39 -7.496 2.143 -3.302 1.00 0.00 C ATOM 579 C ILE A 39 -8.296 1.036 -2.622 1.00 0.00 C ATOM 580 O ILE A 39 -7.729 0.098 -2.063 1.00 0.00 O ATOM 581 CB ILE A 39 -7.089 3.188 -2.247 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.158 2.561 -1.209 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.322 3.773 -1.576 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.742 2.363 -1.705 1.00 0.00 C ATOM 0 H ILE A 39 -8.323 3.766 -4.339 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.596 1.718 -3.746 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.554 3.996 -2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.138 3.194 -0.322 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.565 1.597 -0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.017 4.510 -0.833 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.951 4.253 -2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.883 2.976 -1.088 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.139 1.914 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.750 1.705 -2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.316 3.327 -1.983 1.00 0.00 H new ATOM 596 N THR A 40 -9.619 1.154 -2.674 1.00 0.00 N ATOM 597 CA THR A 40 -10.499 0.164 -2.064 1.00 0.00 C ATOM 598 C THR A 40 -10.384 -1.182 -2.769 1.00 0.00 C ATOM 599 O THR A 40 -10.269 -2.224 -2.123 1.00 0.00 O ATOM 600 CB THR A 40 -11.969 0.624 -2.094 1.00 0.00 C ATOM 601 OG1 THR A 40 -12.100 1.887 -1.434 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.870 -0.402 -1.424 1.00 0.00 C ATOM 0 H THR A 40 -10.105 1.925 -3.132 1.00 0.00 H new ATOM 0 HA THR A 40 -10.182 0.056 -1.027 1.00 0.00 H new ATOM 0 HB THR A 40 -12.275 0.726 -3.135 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.077 2.607 -2.098 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.903 -0.056 -1.457 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.789 -1.354 -1.948 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.564 -0.532 -0.386 1.00 0.00 H new ATOM 610 N GLN A 41 -10.415 -1.154 -4.098 1.00 0.00 N ATOM 611 CA GLN A 41 -10.314 -2.374 -4.891 1.00 0.00 C ATOM 612 C GLN A 41 -8.972 -3.060 -4.665 1.00 0.00 C ATOM 613 O GLN A 41 -8.918 -4.215 -4.241 1.00 0.00 O ATOM 614 CB GLN A 41 -10.497 -2.058 -6.376 1.00 0.00 C ATOM 615 CG GLN A 41 -10.468 -3.289 -7.267 1.00 0.00 C ATOM 616 CD GLN A 41 -11.594 -4.257 -6.961 1.00 0.00 C ATOM 617 OE1 GLN A 41 -12.770 -3.923 -7.098 1.00 0.00 O ATOM 618 NE2 GLN A 41 -11.237 -5.467 -6.543 1.00 0.00 N ATOM 0 H GLN A 41 -10.509 -0.300 -4.648 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.105 -3.052 -4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.447 -1.541 -6.515 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.712 -1.372 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.533 -2.980 -8.310 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.512 -3.799 -7.145 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.249 -5.701 -6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.951 -6.161 -6.322 1.00 0.00 H new ATOM 627 N ILE A 42 -7.891 -2.343 -4.951 1.00 0.00 N ATOM 628 CA ILE A 42 -6.548 -2.883 -4.778 1.00 0.00 C ATOM 629 C ILE A 42 -6.403 -3.572 -3.425 1.00 0.00 C ATOM 630 O ILE A 42 -5.697 -4.573 -3.300 1.00 0.00 O ATOM 631 CB ILE A 42 -5.478 -1.783 -4.898 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.555 -1.114 -6.273 1.00 0.00 C ATOM 633 CG2 ILE A 42 -4.092 -2.363 -4.663 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.863 0.230 -6.331 1.00 0.00 C ATOM 0 H ILE A 42 -7.919 -1.386 -5.304 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.397 -3.613 -5.574 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.668 -1.028 -4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.109 -1.776 -7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.602 -0.987 -6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.347 -1.572 -4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.044 -2.797 -3.664 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.890 -3.136 -5.405 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.958 0.645 -7.334 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.324 0.908 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.808 0.107 -6.088 1.00 0.00 H new ATOM 646 N ARG A 43 -7.076 -3.030 -2.417 1.00 0.00 N ATOM 647 CA ARG A 43 -7.022 -3.593 -1.072 1.00 0.00 C ATOM 648 C ARG A 43 -7.639 -4.989 -1.042 1.00 0.00 C ATOM 649 O ARG A 43 -7.008 -5.948 -0.596 1.00 0.00 O ATOM 650 CB ARG A 43 -7.752 -2.681 -0.084 1.00 0.00 C ATOM 651 CG ARG A 43 -6.922 -1.494 0.377 1.00 0.00 C ATOM 652 CD ARG A 43 -7.780 -0.448 1.069 1.00 0.00 C ATOM 653 NE ARG A 43 -8.029 -0.784 2.470 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.788 -0.052 3.277 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.369 1.050 2.826 1.00 0.00 N ATOM 656 NH2 ARG A 43 -8.967 -0.423 4.538 1.00 0.00 N ATOM 0 H ARG A 43 -7.665 -2.202 -2.505 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.975 -3.670 -0.780 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.667 -2.315 -0.549 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.049 -3.266 0.787 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.144 -1.836 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.420 -1.045 -0.480 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.286 0.522 1.011 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.731 -0.354 0.544 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.596 -1.627 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.234 1.338 1.857 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.952 1.611 3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.521 -1.271 4.888 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.550 0.140 5.157 1.00 0.00 H new ATOM 670 N LEU A 44 -8.874 -5.095 -1.519 1.00 0.00 N ATOM 671 CA LEU A 44 -9.577 -6.373 -1.546 1.00 0.00 C ATOM 672 C LEU A 44 -8.855 -7.371 -2.447 1.00 0.00 C ATOM 673 O LEU A 44 -8.662 -8.529 -2.076 1.00 0.00 O ATOM 674 CB LEU A 44 -11.014 -6.177 -2.031 1.00 0.00 C ATOM 675 CG LEU A 44 -11.959 -5.466 -1.062 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.135 -4.858 -1.811 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.448 -6.431 0.009 1.00 0.00 C ATOM 0 H LEU A 44 -9.410 -4.311 -1.892 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.594 -6.773 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.988 -5.611 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.434 -7.155 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.410 -4.660 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.796 -4.356 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.768 -4.136 -2.540 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.685 -5.646 -2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.120 -5.909 0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.980 -7.258 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.595 -6.819 0.566 1.00 0.00 H new ATOM 689 N GLU A 45 -8.458 -6.913 -3.630 1.00 0.00 N ATOM 690 CA GLU A 45 -7.757 -7.767 -4.581 1.00 0.00 C ATOM 691 C GLU A 45 -6.624 -8.528 -3.899 1.00 0.00 C ATOM 692 O GLU A 45 -6.351 -9.683 -4.225 1.00 0.00 O ATOM 693 CB GLU A 45 -7.201 -6.931 -5.737 1.00 0.00 C ATOM 694 CG GLU A 45 -6.795 -7.758 -6.946 1.00 0.00 C ATOM 695 CD GLU A 45 -7.990 -8.289 -7.716 1.00 0.00 C ATOM 696 OE1 GLU A 45 -8.525 -7.546 -8.566 1.00 0.00 O ATOM 697 OE2 GLU A 45 -8.386 -9.447 -7.470 1.00 0.00 O ATOM 0 H GLU A 45 -8.610 -5.957 -3.952 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.471 -8.490 -4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.952 -6.202 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.336 -6.369 -5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.181 -7.148 -7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -6.177 -8.594 -6.619 1.00 0.00 H new ATOM 704 N HIS A 46 -5.967 -7.870 -2.948 1.00 0.00 N ATOM 705 CA HIS A 46 -4.862 -8.484 -2.218 1.00 0.00 C ATOM 706 C HIS A 46 -5.248 -8.740 -0.765 1.00 0.00 C ATOM 707 O HIS A 46 -4.460 -9.281 0.011 1.00 0.00 O ATOM 708 CB HIS A 46 -3.624 -7.589 -2.278 1.00 0.00 C ATOM 709 CG HIS A 46 -3.157 -7.306 -3.673 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.671 -8.283 -4.517 1.00 0.00 N ATOM 711 CD2 HIS A 46 -3.105 -6.147 -4.372 1.00 0.00 C ATOM 712 CE1 HIS A 46 -2.339 -7.737 -5.673 1.00 0.00 C ATOM 713 NE2 HIS A 46 -2.593 -6.443 -5.611 1.00 0.00 N ATOM 0 H HIS A 46 -6.180 -6.913 -2.665 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.634 -9.440 -2.689 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.843 -6.645 -1.779 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.815 -8.063 -1.722 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.409 -5.172 -4.020 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.929 -8.260 -6.524 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -2.434 -5.772 -6.362 1.00 0.00 H new ATOM 721 N ASP A 47 -6.465 -8.349 -0.403 1.00 0.00 N ATOM 722 CA ASP A 47 -6.956 -8.536 0.958 1.00 0.00 C ATOM 723 C ASP A 47 -5.962 -7.983 1.975 1.00 0.00 C ATOM 724 O ASP A 47 -5.528 -8.692 2.883 1.00 0.00 O ATOM 725 CB ASP A 47 -7.211 -10.020 1.230 1.00 0.00 C ATOM 726 CG ASP A 47 -8.593 -10.461 0.791 1.00 0.00 C ATOM 727 OD1 ASP A 47 -8.923 -10.278 -0.400 1.00 0.00 O ATOM 728 OD2 ASP A 47 -9.346 -10.986 1.638 1.00 0.00 O ATOM 0 H ASP A 47 -7.130 -7.900 -1.033 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.893 -7.989 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.461 -10.616 0.710 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.092 -10.217 2.295 1.00 0.00 H new ATOM 733 N VAL A 48 -5.607 -6.712 1.816 1.00 0.00 N ATOM 734 CA VAL A 48 -4.666 -6.063 2.720 1.00 0.00 C ATOM 735 C VAL A 48 -5.125 -4.653 3.074 1.00 0.00 C ATOM 736 O VAL A 48 -5.846 -4.015 2.308 1.00 0.00 O ATOM 737 CB VAL A 48 -3.255 -5.991 2.106 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.700 -7.389 1.877 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.280 -5.199 0.806 1.00 0.00 C ATOM 0 H VAL A 48 -5.957 -6.112 1.069 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.631 -6.669 3.625 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.598 -5.476 2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.703 -7.318 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.645 -7.919 2.828 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.354 -7.933 1.196 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.275 -5.158 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.950 -5.685 0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.632 -4.187 1.003 1.00 0.00 H new ATOM 749 N ASN A 49 -4.704 -4.174 4.239 1.00 0.00 N ATOM 750 CA ASN A 49 -5.074 -2.838 4.695 1.00 0.00 C ATOM 751 C ASN A 49 -4.050 -1.805 4.235 1.00 0.00 C ATOM 752 O ASN A 49 -2.849 -1.968 4.448 1.00 0.00 O ATOM 753 CB ASN A 49 -5.191 -2.812 6.220 1.00 0.00 C ATOM 754 CG ASN A 49 -5.641 -1.461 6.742 1.00 0.00 C ATOM 755 OD1 ASN A 49 -5.882 -0.533 5.969 1.00 0.00 O ATOM 756 ND2 ASN A 49 -5.756 -1.344 8.060 1.00 0.00 N ATOM 0 H ASN A 49 -4.107 -4.690 4.885 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.041 -2.586 4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.899 -3.576 6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.227 -3.066 6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.054 -0.459 8.469 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.546 -2.139 8.663 1.00 0.00 H new ATOM 763 N ILE A 50 -4.535 -0.740 3.604 1.00 0.00 N ATOM 764 CA ILE A 50 -3.664 0.322 3.116 1.00 0.00 C ATOM 765 C ILE A 50 -4.075 1.676 3.682 1.00 0.00 C ATOM 766 O ILE A 50 -5.149 2.189 3.370 1.00 0.00 O ATOM 767 CB ILE A 50 -3.675 0.396 1.578 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.200 -0.929 0.978 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.800 1.545 1.097 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.650 -1.142 -0.451 1.00 0.00 C ATOM 0 H ILE A 50 -5.527 -0.590 3.419 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.656 0.082 3.453 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.697 0.578 1.245 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.111 -0.966 1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.569 -1.750 1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.818 1.585 0.008 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.178 2.484 1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.776 1.390 1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.277 -2.101 -0.811 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.739 -1.137 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.259 -0.342 -1.079 1.00 0.00 H new ATOM 782 N GLN A 51 -3.214 2.249 4.516 1.00 0.00 N ATOM 783 CA GLN A 51 -3.489 3.546 5.125 1.00 0.00 C ATOM 784 C GLN A 51 -2.404 4.557 4.766 1.00 0.00 C ATOM 785 O GLN A 51 -1.213 4.256 4.835 1.00 0.00 O ATOM 786 CB GLN A 51 -3.590 3.407 6.644 1.00 0.00 C ATOM 787 CG GLN A 51 -4.531 4.415 7.286 1.00 0.00 C ATOM 788 CD GLN A 51 -3.924 5.801 7.380 1.00 0.00 C ATOM 789 OE1 GLN A 51 -2.741 5.891 7.977 1.00 0.00 O flip ATOM 790 NE2 GLN A 51 -4.512 6.782 6.923 1.00 0.00 N flip ATOM 0 H GLN A 51 -2.321 1.837 4.786 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.441 3.908 4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.929 2.400 6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.597 3.522 7.078 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.454 4.465 6.708 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.799 4.071 8.285 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.420 6.668 6.472 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.091 7.708 6.996 1.00 0.00 H new ATOM 799 N PHE A 52 -2.826 5.757 4.382 1.00 0.00 N ATOM 800 CA PHE A 52 -1.890 6.813 4.010 1.00 0.00 C ATOM 801 C PHE A 52 -1.649 7.762 5.180 1.00 0.00 C ATOM 802 O PHE A 52 -2.506 7.956 6.042 1.00 0.00 O ATOM 803 CB PHE A 52 -2.422 7.594 2.807 1.00 0.00 C ATOM 804 CG PHE A 52 -2.649 6.741 1.591 1.00 0.00 C ATOM 805 CD1 PHE A 52 -3.867 6.111 1.388 1.00 0.00 C ATOM 806 CD2 PHE A 52 -1.645 6.568 0.652 1.00 0.00 C ATOM 807 CE1 PHE A 52 -4.078 5.326 0.271 1.00 0.00 C ATOM 808 CE2 PHE A 52 -1.851 5.784 -0.467 1.00 0.00 C ATOM 809 CZ PHE A 52 -3.070 5.162 -0.658 1.00 0.00 C ATOM 0 H PHE A 52 -3.809 6.023 4.320 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.942 6.347 3.742 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.360 8.076 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.717 8.387 2.558 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.660 6.235 2.111 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.690 7.052 0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.032 4.841 0.124 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -1.060 5.658 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 52 -3.234 4.549 -1.532 1.00 0.00 H new ATOM 819 N PRO A 53 -0.452 8.367 5.213 1.00 0.00 N ATOM 820 CA PRO A 53 -0.069 9.306 6.271 1.00 0.00 C ATOM 821 C PRO A 53 -0.841 10.619 6.190 1.00 0.00 C ATOM 822 O PRO A 53 -1.289 11.020 5.116 1.00 0.00 O ATOM 823 CB PRO A 53 1.421 9.544 6.012 1.00 0.00 C ATOM 824 CG PRO A 53 1.601 9.268 4.560 1.00 0.00 C ATOM 825 CD PRO A 53 0.618 8.182 4.219 1.00 0.00 C ATOM 0 HA PRO A 53 -0.285 8.911 7.264 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.708 10.566 6.259 1.00 0.00 H new ATOM 0 HB3 PRO A 53 2.039 8.884 6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.415 10.163 3.967 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.622 8.951 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.243 8.285 3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.070 7.193 4.294 1.00 0.00 H new ATOM 833 N ASP A 54 -0.990 11.284 7.330 1.00 0.00 N ATOM 834 CA ASP A 54 -1.706 12.553 7.387 1.00 0.00 C ATOM 835 C ASP A 54 -0.855 13.683 6.816 1.00 0.00 C ATOM 836 O ASP A 54 0.125 14.107 7.428 1.00 0.00 O ATOM 837 CB ASP A 54 -2.103 12.875 8.828 1.00 0.00 C ATOM 838 CG ASP A 54 -3.308 13.792 8.905 1.00 0.00 C ATOM 839 OD1 ASP A 54 -4.442 13.297 8.740 1.00 0.00 O ATOM 840 OD2 ASP A 54 -3.116 15.005 9.132 1.00 0.00 O ATOM 0 H ASP A 54 -0.624 10.965 8.227 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.608 12.460 6.782 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.321 11.948 9.358 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.261 13.343 9.338 1.00 0.00 H new ATOM 845 N LYS A 55 -1.235 14.166 5.637 1.00 0.00 N ATOM 846 CA LYS A 55 -0.508 15.247 4.982 1.00 0.00 C ATOM 847 C LYS A 55 -0.510 16.504 5.845 1.00 0.00 C ATOM 848 O LYS A 55 0.468 17.253 5.870 1.00 0.00 O ATOM 849 CB LYS A 55 -1.128 15.552 3.617 1.00 0.00 C ATOM 850 CG LYS A 55 -2.592 15.952 3.689 1.00 0.00 C ATOM 851 CD LYS A 55 -2.752 17.456 3.838 1.00 0.00 C ATOM 852 CE LYS A 55 -4.044 17.944 3.201 1.00 0.00 C ATOM 853 NZ LYS A 55 -3.947 17.994 1.716 1.00 0.00 N ATOM 0 H LYS A 55 -2.043 13.825 5.116 1.00 0.00 H new ATOM 0 HA LYS A 55 0.524 14.925 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.564 16.355 3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.031 14.674 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.106 15.618 2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.067 15.449 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.743 17.721 4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.904 17.961 3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.863 17.284 3.489 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.285 18.936 3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.786 18.472 1.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.092 18.519 1.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.895 17.026 1.339 1.00 0.00 H new ATOM 867 N ASP A 56 -1.611 16.730 6.553 1.00 0.00 N ATOM 868 CA ASP A 56 -1.737 17.896 7.420 1.00 0.00 C ATOM 869 C ASP A 56 -0.691 17.865 8.528 1.00 0.00 C ATOM 870 O ASP A 56 -0.262 18.909 9.020 1.00 0.00 O ATOM 871 CB ASP A 56 -3.140 17.956 8.027 1.00 0.00 C ATOM 872 CG ASP A 56 -3.420 19.282 8.708 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.471 20.312 8.003 1.00 0.00 O ATOM 874 OD2 ASP A 56 -3.587 19.289 9.945 1.00 0.00 O ATOM 0 H ASP A 56 -2.429 16.121 6.544 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.572 18.788 6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.879 17.790 7.243 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.255 17.148 8.750 1.00 0.00 H new ATOM 879 N ASP A 57 -0.285 16.662 8.918 1.00 0.00 N ATOM 880 CA ASP A 57 0.713 16.495 9.969 1.00 0.00 C ATOM 881 C ASP A 57 2.107 16.834 9.454 1.00 0.00 C ATOM 882 O ASP A 57 2.272 17.250 8.309 1.00 0.00 O ATOM 883 CB ASP A 57 0.686 15.061 10.502 1.00 0.00 C ATOM 884 CG ASP A 57 1.219 14.961 11.918 1.00 0.00 C ATOM 885 OD1 ASP A 57 0.631 15.596 12.819 1.00 0.00 O ATOM 886 OD2 ASP A 57 2.223 14.247 12.126 1.00 0.00 O ATOM 0 H ASP A 57 -0.631 15.788 8.523 1.00 0.00 H new ATOM 0 HA ASP A 57 0.470 17.181 10.780 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.337 14.685 10.474 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.279 14.422 9.848 1.00 0.00 H new ATOM 891 N GLY A 58 3.109 16.654 10.310 1.00 0.00 N ATOM 892 CA GLY A 58 4.477 16.947 9.924 1.00 0.00 C ATOM 893 C GLY A 58 5.476 16.009 10.571 1.00 0.00 C ATOM 894 O GLY A 58 6.501 15.680 9.977 1.00 0.00 O ATOM 0 H GLY A 58 2.997 16.310 11.264 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.568 16.878 8.840 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.717 17.974 10.199 1.00 0.00 H new ATOM 898 N ASN A 59 5.177 15.580 11.793 1.00 0.00 N ATOM 899 CA ASN A 59 6.058 14.676 12.521 1.00 0.00 C ATOM 900 C ASN A 59 6.099 13.302 11.858 1.00 0.00 C ATOM 901 O ASN A 59 7.099 12.590 11.946 1.00 0.00 O ATOM 902 CB ASN A 59 5.594 14.538 13.973 1.00 0.00 C ATOM 903 CG ASN A 59 6.211 15.586 14.880 1.00 0.00 C ATOM 904 OD1 ASN A 59 6.916 15.259 15.834 1.00 0.00 O ATOM 905 ND2 ASN A 59 5.948 16.854 14.583 1.00 0.00 N ATOM 0 H ASN A 59 4.332 15.844 12.299 1.00 0.00 H new ATOM 0 HA ASN A 59 7.063 15.098 12.504 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.508 14.620 14.014 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.852 13.545 14.341 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.336 17.603 15.156 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.358 17.078 13.782 1.00 0.00 H new ATOM 912 N GLN A 60 5.008 12.941 11.193 1.00 0.00 N ATOM 913 CA GLN A 60 4.919 11.653 10.514 1.00 0.00 C ATOM 914 C GLN A 60 5.253 11.795 9.032 1.00 0.00 C ATOM 915 O GLN A 60 5.059 12.849 8.425 1.00 0.00 O ATOM 916 CB GLN A 60 3.518 11.061 10.678 1.00 0.00 C ATOM 917 CG GLN A 60 2.462 11.751 9.832 1.00 0.00 C ATOM 918 CD GLN A 60 1.116 11.057 9.897 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.904 10.028 9.257 1.00 0.00 O ATOM 920 NE2 GLN A 60 0.197 11.619 10.674 1.00 0.00 N ATOM 0 H GLN A 60 4.173 13.521 11.109 1.00 0.00 H new ATOM 0 HA GLN A 60 5.646 10.980 10.969 1.00 0.00 H new ATOM 0 HB2 GLN A 60 3.547 10.003 10.416 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.228 11.122 11.727 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.351 12.782 10.167 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.798 11.786 8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.416 12.473 11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -0.728 11.197 10.757 1.00 0.00 H new ATOM 929 N PRO A 61 5.769 10.711 8.434 1.00 0.00 N ATOM 930 CA PRO A 61 6.140 10.690 7.016 1.00 0.00 C ATOM 931 C PRO A 61 4.925 10.739 6.097 1.00 0.00 C ATOM 932 O PRO A 61 4.016 9.916 6.211 1.00 0.00 O ATOM 933 CB PRO A 61 6.873 9.354 6.862 1.00 0.00 C ATOM 934 CG PRO A 61 6.330 8.496 7.951 1.00 0.00 C ATOM 935 CD PRO A 61 6.027 9.420 9.096 1.00 0.00 C ATOM 0 HA PRO A 61 6.740 11.557 6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.690 8.913 5.882 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.951 9.481 6.958 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.431 7.973 7.624 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.053 7.735 8.245 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.163 9.082 9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.863 9.485 9.792 1.00 0.00 H new ATOM 943 N GLN A 62 4.914 11.709 5.189 1.00 0.00 N ATOM 944 CA GLN A 62 3.808 11.864 4.251 1.00 0.00 C ATOM 945 C GLN A 62 4.069 11.083 2.967 1.00 0.00 C ATOM 946 O GLN A 62 3.173 10.909 2.142 1.00 0.00 O ATOM 947 CB GLN A 62 3.591 13.344 3.927 1.00 0.00 C ATOM 948 CG GLN A 62 3.360 14.209 5.155 1.00 0.00 C ATOM 949 CD GLN A 62 2.331 13.618 6.099 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.344 13.021 5.666 1.00 0.00 O ATOM 951 NE2 GLN A 62 2.556 13.781 7.397 1.00 0.00 N ATOM 0 H GLN A 62 5.658 12.399 5.083 1.00 0.00 H new ATOM 0 HA GLN A 62 2.908 11.466 4.720 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.460 13.720 3.386 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.734 13.439 3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.303 14.339 5.686 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.032 15.200 4.841 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.387 14.282 7.712 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.898 13.405 8.080 1.00 0.00 H new ATOM 960 N ASP A 63 5.302 10.617 2.805 1.00 0.00 N ATOM 961 CA ASP A 63 5.681 9.853 1.622 1.00 0.00 C ATOM 962 C ASP A 63 5.624 8.354 1.901 1.00 0.00 C ATOM 963 O ASP A 63 5.603 7.542 0.976 1.00 0.00 O ATOM 964 CB ASP A 63 7.087 10.245 1.164 1.00 0.00 C ATOM 965 CG ASP A 63 8.164 9.395 1.810 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.271 8.204 1.454 1.00 0.00 O ATOM 967 OD2 ASP A 63 8.899 9.923 2.672 1.00 0.00 O ATOM 0 H ASP A 63 6.056 10.755 3.478 1.00 0.00 H new ATOM 0 HA ASP A 63 4.971 10.084 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.153 10.148 0.080 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.264 11.294 1.402 1.00 0.00 H new ATOM 972 N GLN A 64 5.597 7.996 3.180 1.00 0.00 N ATOM 973 CA GLN A 64 5.543 6.594 3.580 1.00 0.00 C ATOM 974 C GLN A 64 4.100 6.112 3.681 1.00 0.00 C ATOM 975 O GLN A 64 3.269 6.742 4.337 1.00 0.00 O ATOM 976 CB GLN A 64 6.254 6.396 4.920 1.00 0.00 C ATOM 977 CG GLN A 64 7.738 6.723 4.875 1.00 0.00 C ATOM 978 CD GLN A 64 8.589 5.521 4.513 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.636 4.535 5.249 1.00 0.00 O ATOM 980 NE2 GLN A 64 9.267 5.598 3.374 1.00 0.00 N ATOM 0 H GLN A 64 5.612 8.656 3.957 1.00 0.00 H new ATOM 0 HA GLN A 64 6.051 6.005 2.817 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.775 7.023 5.672 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.128 5.362 5.240 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.909 7.517 4.148 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.051 7.106 5.846 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.198 6.435 2.795 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.857 4.820 3.078 1.00 0.00 H new ATOM 989 N ILE A 65 3.808 4.993 3.027 1.00 0.00 N ATOM 990 CA ILE A 65 2.465 4.427 3.044 1.00 0.00 C ATOM 991 C ILE A 65 2.400 3.193 3.939 1.00 0.00 C ATOM 992 O ILE A 65 3.059 2.187 3.677 1.00 0.00 O ATOM 993 CB ILE A 65 1.997 4.044 1.627 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.221 5.209 0.660 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.531 3.638 1.645 1.00 0.00 C ATOM 996 CD1 ILE A 65 1.947 4.857 -0.785 1.00 0.00 C ATOM 0 H ILE A 65 4.483 4.460 2.479 1.00 0.00 H new ATOM 0 HA ILE A 65 1.803 5.197 3.441 1.00 0.00 H new ATOM 0 HB ILE A 65 2.585 3.193 1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.579 6.040 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.251 5.554 0.752 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.215 3.370 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.399 2.782 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.073 4.471 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.126 5.730 -1.412 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.607 4.047 -1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.909 4.540 -0.892 1.00 0.00 H new ATOM 1008 N THR A 66 1.599 3.279 4.996 1.00 0.00 N ATOM 1009 CA THR A 66 1.445 2.170 5.930 1.00 0.00 C ATOM 1010 C THR A 66 0.533 1.092 5.358 1.00 0.00 C ATOM 1011 O THR A 66 -0.540 1.387 4.833 1.00 0.00 O ATOM 1012 CB THR A 66 0.874 2.647 7.279 1.00 0.00 C ATOM 1013 OG1 THR A 66 0.026 3.783 7.078 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.995 3.008 8.244 1.00 0.00 C ATOM 0 H THR A 66 1.047 4.105 5.227 1.00 0.00 H new ATOM 0 HA THR A 66 2.439 1.753 6.092 1.00 0.00 H new ATOM 0 HB THR A 66 0.293 1.832 7.711 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.546 3.630 6.297 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.568 3.342 9.189 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.621 2.133 8.418 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.600 3.808 7.816 1.00 0.00 H new ATOM 1022 N ILE A 67 0.967 -0.160 5.464 1.00 0.00 N ATOM 1023 CA ILE A 67 0.187 -1.284 4.959 1.00 0.00 C ATOM 1024 C ILE A 67 0.291 -2.487 5.888 1.00 0.00 C ATOM 1025 O ILE A 67 1.386 -2.893 6.278 1.00 0.00 O ATOM 1026 CB ILE A 67 0.646 -1.698 3.547 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.599 -0.499 2.599 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.220 -2.832 3.020 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.351 -0.719 1.306 1.00 0.00 C ATOM 0 H ILE A 67 1.854 -0.421 5.895 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.850 -0.953 4.913 1.00 0.00 H new ATOM 0 HB ILE A 67 1.676 -2.050 3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.441 -0.269 2.370 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.014 0.372 3.107 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.116 -3.113 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.139 -3.691 3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.259 -2.505 2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.274 0.173 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.400 -0.919 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.922 -1.569 0.776 1.00 0.00 H new ATOM 1041 N THR A 68 -0.857 -3.058 6.240 1.00 0.00 N ATOM 1042 CA THR A 68 -0.897 -4.216 7.123 1.00 0.00 C ATOM 1043 C THR A 68 -1.409 -5.450 6.389 1.00 0.00 C ATOM 1044 O THR A 68 -2.128 -5.341 5.397 1.00 0.00 O ATOM 1045 CB THR A 68 -1.790 -3.955 8.351 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.512 -2.660 8.893 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.566 -5.016 9.418 1.00 0.00 C ATOM 0 H THR A 68 -1.773 -2.736 5.926 1.00 0.00 H new ATOM 0 HA THR A 68 0.125 -4.394 7.457 1.00 0.00 H new ATOM 0 HB THR A 68 -2.831 -3.998 8.031 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.085 -2.502 9.672 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.207 -4.811 10.275 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.807 -5.998 9.011 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.523 -5.000 9.733 1.00 0.00 H new ATOM 1055 N GLY A 69 -1.033 -6.626 6.885 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.464 -7.864 6.262 1.00 0.00 C ATOM 1057 C GLY A 69 -0.327 -8.852 6.088 1.00 0.00 C ATOM 1058 O GLY A 69 0.810 -8.573 6.470 1.00 0.00 O ATOM 0 H GLY A 69 -0.439 -6.743 7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.247 -8.319 6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.902 -7.644 5.289 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.633 -10.009 5.511 1.00 0.00 N ATOM 1063 CA TYR A 70 0.371 -11.042 5.291 1.00 0.00 C ATOM 1064 C TYR A 70 1.593 -10.472 4.579 1.00 0.00 C ATOM 1065 O TYR A 70 1.484 -9.912 3.489 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.221 -12.190 4.472 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.162 -13.074 5.259 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -0.786 -13.604 6.487 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -2.429 -13.377 4.775 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -1.643 -14.412 7.209 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -3.293 -14.183 5.492 1.00 0.00 C ATOM 1072 CZ TYR A 70 -2.895 -14.698 6.707 1.00 0.00 C ATOM 1073 OH TYR A 70 -3.753 -15.501 7.424 1.00 0.00 O ATOM 0 H TYR A 70 -1.569 -10.254 5.187 1.00 0.00 H new ATOM 0 HA TYR A 70 0.685 -11.421 6.264 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.755 -11.777 3.616 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.591 -12.800 4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.193 -13.380 6.884 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.744 -12.976 3.823 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.334 -14.817 8.161 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.275 -14.408 5.102 1.00 0.00 H new ATOM 0 HH TYR A 70 -4.594 -15.603 6.931 1.00 0.00 H new ATOM 1083 N GLU A 71 2.757 -10.619 5.204 1.00 0.00 N ATOM 1084 CA GLU A 71 4.001 -10.118 4.632 1.00 0.00 C ATOM 1085 C GLU A 71 4.024 -10.323 3.120 1.00 0.00 C ATOM 1086 O GLU A 71 4.684 -9.582 2.390 1.00 0.00 O ATOM 1087 CB GLU A 71 5.201 -10.818 5.271 1.00 0.00 C ATOM 1088 CG GLU A 71 6.463 -10.757 4.426 1.00 0.00 C ATOM 1089 CD GLU A 71 7.574 -11.630 4.974 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.546 -12.853 4.722 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.473 -11.091 5.653 1.00 0.00 O ATOM 0 H GLU A 71 2.864 -11.081 6.107 1.00 0.00 H new ATOM 0 HA GLU A 71 4.062 -9.049 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.401 -10.364 6.241 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.947 -11.862 5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.230 -11.069 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.810 -9.725 4.372 1.00 0.00 H new ATOM 1098 N LYS A 72 3.299 -11.335 2.654 1.00 0.00 N ATOM 1099 CA LYS A 72 3.234 -11.639 1.230 1.00 0.00 C ATOM 1100 C LYS A 72 2.156 -10.806 0.544 1.00 0.00 C ATOM 1101 O LYS A 72 2.443 -10.028 -0.364 1.00 0.00 O ATOM 1102 CB LYS A 72 2.954 -13.128 1.019 1.00 0.00 C ATOM 1103 CG LYS A 72 4.167 -14.014 1.248 1.00 0.00 C ATOM 1104 CD LYS A 72 5.127 -13.962 0.071 1.00 0.00 C ATOM 1105 CE LYS A 72 4.745 -14.967 -1.004 1.00 0.00 C ATOM 1106 NZ LYS A 72 4.994 -16.368 -0.567 1.00 0.00 N ATOM 0 H LYS A 72 2.748 -11.959 3.243 1.00 0.00 H new ATOM 0 HA LYS A 72 4.198 -11.390 0.786 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.156 -13.438 1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.590 -13.280 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.684 -13.698 2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.842 -15.042 1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.131 -12.958 -0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.140 -14.165 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.691 -14.847 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.314 -14.763 -1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.051 -16.987 -1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.889 -16.413 -0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.215 -16.684 0.046 1.00 0.00 H new ATOM 1120 N ASN A 73 0.914 -10.975 0.985 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.208 -10.237 0.414 1.00 0.00 C ATOM 1122 C ASN A 73 0.086 -8.741 0.380 1.00 0.00 C ATOM 1123 O ASN A 73 -0.380 -8.024 -0.505 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.481 -10.500 1.220 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.015 -11.905 1.016 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.424 -12.706 0.292 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.137 -12.211 1.657 1.00 0.00 N ATOM 0 H ASN A 73 0.658 -11.616 1.736 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.356 -10.583 -0.609 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.276 -10.342 2.279 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.246 -9.778 0.932 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.543 -13.142 1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.593 -11.515 2.247 1.00 0.00 H new ATOM 1134 N THR A 74 0.864 -8.274 1.352 1.00 0.00 N ATOM 1135 CA THR A 74 1.221 -6.863 1.434 1.00 0.00 C ATOM 1136 C THR A 74 2.013 -6.424 0.209 1.00 0.00 C ATOM 1137 O THR A 74 1.624 -5.488 -0.490 1.00 0.00 O ATOM 1138 CB THR A 74 2.048 -6.566 2.700 1.00 0.00 C ATOM 1139 OG1 THR A 74 3.196 -7.421 2.747 1.00 0.00 O ATOM 1140 CG2 THR A 74 1.210 -6.765 3.953 1.00 0.00 C ATOM 0 H THR A 74 1.259 -8.853 2.093 1.00 0.00 H new ATOM 0 HA THR A 74 0.287 -6.303 1.479 1.00 0.00 H new ATOM 0 HB THR A 74 2.371 -5.526 2.660 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.921 -6.969 3.227 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.815 -6.550 4.834 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.353 -6.092 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.860 -7.796 3.997 1.00 0.00 H new ATOM 1148 N GLU A 75 3.126 -7.104 -0.046 1.00 0.00 N ATOM 1149 CA GLU A 75 3.973 -6.781 -1.190 1.00 0.00 C ATOM 1150 C GLU A 75 3.141 -6.648 -2.462 1.00 0.00 C ATOM 1151 O GLU A 75 3.312 -5.703 -3.231 1.00 0.00 O ATOM 1152 CB GLU A 75 5.044 -7.858 -1.378 1.00 0.00 C ATOM 1153 CG GLU A 75 5.906 -8.082 -0.147 1.00 0.00 C ATOM 1154 CD GLU A 75 7.312 -8.530 -0.493 1.00 0.00 C ATOM 1155 OE1 GLU A 75 7.961 -7.860 -1.324 1.00 0.00 O ATOM 1156 OE2 GLU A 75 7.764 -9.552 0.065 1.00 0.00 O ATOM 0 H GLU A 75 3.463 -7.881 0.523 1.00 0.00 H new ATOM 0 HA GLU A 75 4.459 -5.825 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.560 -8.797 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.685 -7.579 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.955 -7.159 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 75 5.436 -8.832 0.489 1.00 0.00 H new ATOM 1163 N ALA A 76 2.240 -7.601 -2.676 1.00 0.00 N ATOM 1164 CA ALA A 76 1.380 -7.589 -3.853 1.00 0.00 C ATOM 1165 C ALA A 76 0.673 -6.246 -4.003 1.00 0.00 C ATOM 1166 O ALA A 76 0.500 -5.746 -5.114 1.00 0.00 O ATOM 1167 CB ALA A 76 0.364 -8.718 -3.775 1.00 0.00 C ATOM 0 H ALA A 76 2.087 -8.391 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 76 2.006 -7.739 -4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.272 -8.697 -4.660 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.885 -9.674 -3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.251 -8.593 -2.884 1.00 0.00 H new ATOM 1173 N ALA A 77 0.265 -5.669 -2.877 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.422 -4.384 -2.884 1.00 0.00 C ATOM 1175 C ALA A 77 0.570 -3.231 -2.995 1.00 0.00 C ATOM 1176 O ALA A 77 0.433 -2.363 -3.858 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.272 -4.233 -1.631 1.00 0.00 C ATOM 0 H ALA A 77 0.399 -6.071 -1.949 1.00 0.00 H new ATOM 0 HA ALA A 77 -1.073 -4.353 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.779 -3.268 -1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.013 -5.032 -1.595 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.634 -4.290 -0.749 1.00 0.00 H new ATOM 1183 N ARG A 78 1.566 -3.228 -2.116 1.00 0.00 N ATOM 1184 CA ARG A 78 2.580 -2.180 -2.115 1.00 0.00 C ATOM 1185 C ARG A 78 3.196 -2.018 -3.501 1.00 0.00 C ATOM 1186 O ARG A 78 3.711 -0.953 -3.842 1.00 0.00 O ATOM 1187 CB ARG A 78 3.672 -2.499 -1.093 1.00 0.00 C ATOM 1188 CG ARG A 78 4.806 -3.342 -1.656 1.00 0.00 C ATOM 1189 CD ARG A 78 5.918 -2.473 -2.222 1.00 0.00 C ATOM 1190 NE ARG A 78 6.742 -3.199 -3.185 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.977 -2.836 -3.515 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.527 -1.762 -2.963 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.665 -3.547 -4.399 1.00 0.00 N ATOM 0 H ARG A 78 1.693 -3.939 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 78 2.097 -1.242 -1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.081 -1.565 -0.708 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.225 -3.024 -0.248 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.208 -3.984 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.421 -3.997 -2.438 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.484 -1.597 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.546 -2.111 -1.408 1.00 0.00 H new ATOM 0 HE ARG A 78 6.348 -4.029 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.002 -1.212 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.475 -1.486 -3.219 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.246 -4.373 -4.826 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.613 -3.267 -4.652 1.00 0.00 H new ATOM 1207 N ASP A 79 3.142 -3.082 -4.295 1.00 0.00 N ATOM 1208 CA ASP A 79 3.694 -3.057 -5.645 1.00 0.00 C ATOM 1209 C ASP A 79 2.892 -2.121 -6.543 1.00 0.00 C ATOM 1210 O ASP A 79 3.460 -1.337 -7.302 1.00 0.00 O ATOM 1211 CB ASP A 79 3.707 -4.467 -6.238 1.00 0.00 C ATOM 1212 CG ASP A 79 4.130 -4.478 -7.694 1.00 0.00 C ATOM 1213 OD1 ASP A 79 5.275 -4.073 -7.982 1.00 0.00 O ATOM 1214 OD2 ASP A 79 3.315 -4.891 -8.545 1.00 0.00 O ATOM 0 H ASP A 79 2.722 -3.972 -4.027 1.00 0.00 H new ATOM 0 HA ASP A 79 4.717 -2.686 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.386 -5.095 -5.661 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.713 -4.905 -6.148 1.00 0.00 H new ATOM 1219 N ALA A 80 1.569 -2.212 -6.452 1.00 0.00 N ATOM 1220 CA ALA A 80 0.689 -1.372 -7.256 1.00 0.00 C ATOM 1221 C ALA A 80 0.951 0.107 -6.995 1.00 0.00 C ATOM 1222 O ALA A 80 1.192 0.878 -7.924 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.767 -1.711 -6.973 1.00 0.00 C ATOM 0 H ALA A 80 1.083 -2.858 -5.830 1.00 0.00 H new ATOM 0 HA ALA A 80 0.899 -1.570 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.413 -1.076 -7.580 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.951 -2.757 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.981 -1.543 -5.918 1.00 0.00 H new ATOM 1229 N ILE A 81 0.901 0.496 -5.725 1.00 0.00 N ATOM 1230 CA ILE A 81 1.134 1.883 -5.343 1.00 0.00 C ATOM 1231 C ILE A 81 2.315 2.473 -6.105 1.00 0.00 C ATOM 1232 O ILE A 81 2.302 3.647 -6.479 1.00 0.00 O ATOM 1233 CB ILE A 81 1.397 2.013 -3.831 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.184 1.523 -3.036 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.725 3.455 -3.472 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.494 1.220 -1.587 1.00 0.00 C ATOM 0 H ILE A 81 0.701 -0.129 -4.944 1.00 0.00 H new ATOM 0 HA ILE A 81 0.229 2.436 -5.596 1.00 0.00 H new ATOM 0 HB ILE A 81 2.254 1.391 -3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.600 2.279 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.212 0.625 -3.510 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.908 3.530 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.615 3.772 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.887 4.097 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.411 0.878 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.255 0.442 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.862 2.122 -1.097 1.00 0.00 H new ATOM 1248 N LEU A 82 3.334 1.652 -6.333 1.00 0.00 N ATOM 1249 CA LEU A 82 4.524 2.092 -7.054 1.00 0.00 C ATOM 1250 C LEU A 82 4.286 2.074 -8.560 1.00 0.00 C ATOM 1251 O LEU A 82 4.493 3.077 -9.244 1.00 0.00 O ATOM 1252 CB LEU A 82 5.715 1.199 -6.703 1.00 0.00 C ATOM 1253 CG LEU A 82 5.950 0.947 -5.214 1.00 0.00 C ATOM 1254 CD1 LEU A 82 6.952 -0.180 -5.014 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.429 2.217 -4.526 1.00 0.00 C ATOM 0 H LEU A 82 3.361 0.679 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 82 4.744 3.116 -6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.580 0.237 -7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.616 1.648 -7.121 1.00 0.00 H new ATOM 0 HG LEU A 82 5.004 0.648 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.106 -0.345 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.569 -1.093 -5.470 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.900 0.089 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.591 2.018 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.363 2.547 -4.980 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.676 2.997 -4.638 1.00 0.00 H new ATOM 1267 N ARG A 83 3.848 0.928 -9.072 1.00 0.00 N ATOM 1268 CA ARG A 83 3.581 0.780 -10.496 1.00 0.00 C ATOM 1269 C ARG A 83 2.849 2.002 -11.042 1.00 0.00 C ATOM 1270 O ARG A 83 3.113 2.448 -12.160 1.00 0.00 O ATOM 1271 CB ARG A 83 2.752 -0.480 -10.753 1.00 0.00 C ATOM 1272 CG ARG A 83 2.814 -0.967 -12.192 1.00 0.00 C ATOM 1273 CD ARG A 83 1.594 -1.801 -12.551 1.00 0.00 C ATOM 1274 NE ARG A 83 1.700 -2.378 -13.889 1.00 0.00 N ATOM 1275 CZ ARG A 83 0.920 -3.359 -14.330 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -0.016 -3.869 -13.543 1.00 0.00 N ATOM 1277 NH2 ARG A 83 1.078 -3.830 -15.560 1.00 0.00 N ATOM 0 H ARG A 83 3.671 0.089 -8.520 1.00 0.00 H new ATOM 0 HA ARG A 83 4.537 0.690 -11.011 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.101 -1.275 -10.094 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.713 -0.281 -10.490 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.882 -0.112 -12.864 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.717 -1.560 -12.338 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.473 -2.600 -11.820 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.700 -1.179 -12.494 1.00 0.00 H new ATOM 0 HE ARG A 83 2.412 -2.008 -14.519 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.139 -3.509 -12.597 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.614 -4.622 -13.883 1.00 0.00 H new ATOM 0 HH21 ARG A 83 1.798 -3.439 -16.167 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.479 -4.583 -15.899 1.00 0.00 H new ATOM 1291 N ILE A 84 1.929 2.539 -10.247 1.00 0.00 N ATOM 1292 CA ILE A 84 1.161 3.709 -10.651 1.00 0.00 C ATOM 1293 C ILE A 84 2.053 4.942 -10.762 1.00 0.00 C ATOM 1294 O ILE A 84 2.107 5.589 -11.808 1.00 0.00 O ATOM 1295 CB ILE A 84 0.020 4.004 -9.659 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.826 2.748 -9.433 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.844 5.146 -10.169 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.521 2.721 -8.091 1.00 0.00 C ATOM 0 H ILE A 84 1.698 2.182 -9.320 1.00 0.00 H new ATOM 0 HA ILE A 84 0.734 3.483 -11.628 1.00 0.00 H new ATOM 0 HB ILE A 84 0.456 4.303 -8.706 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.575 2.677 -10.222 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.187 1.869 -9.520 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.646 5.342 -9.457 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.233 6.041 -10.283 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.274 4.875 -11.133 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.102 1.803 -8.000 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.777 2.760 -7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.186 3.581 -8.008 1.00 0.00 H new ATOM 1310 N VAL A 85 2.752 5.259 -9.677 1.00 0.00 N ATOM 1311 CA VAL A 85 3.645 6.412 -9.653 1.00 0.00 C ATOM 1312 C VAL A 85 4.410 6.541 -10.965 1.00 0.00 C ATOM 1313 O VAL A 85 4.278 7.535 -11.677 1.00 0.00 O ATOM 1314 CB VAL A 85 4.650 6.318 -8.490 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.683 7.432 -8.586 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.926 6.364 -7.154 1.00 0.00 C ATOM 0 H VAL A 85 2.717 4.734 -8.803 1.00 0.00 H new ATOM 0 HA VAL A 85 3.021 7.295 -9.513 1.00 0.00 H new ATOM 0 HB VAL A 85 5.172 5.364 -8.560 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.385 7.350 -7.756 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.224 7.346 -9.528 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.181 8.399 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.652 6.296 -6.344 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.376 7.301 -7.071 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.230 5.528 -7.088 1.00 0.00 H new ATOM 1326 N GLY A 86 5.212 5.528 -11.278 1.00 0.00 N ATOM 1327 CA GLY A 86 5.988 5.548 -12.504 1.00 0.00 C ATOM 1328 C GLY A 86 5.237 6.187 -13.655 1.00 0.00 C ATOM 1329 O GLY A 86 5.761 7.070 -14.332 1.00 0.00 O ATOM 0 H GLY A 86 5.338 4.694 -10.704 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.917 6.092 -12.334 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.261 4.528 -12.774 1.00 0.00 H new ATOM 1333 N GLU A 87 4.005 5.737 -13.878 1.00 0.00 N ATOM 1334 CA GLU A 87 3.183 6.270 -14.958 1.00 0.00 C ATOM 1335 C GLU A 87 2.895 7.754 -14.742 1.00 0.00 C ATOM 1336 O GLU A 87 3.056 8.568 -15.652 1.00 0.00 O ATOM 1337 CB GLU A 87 1.869 5.494 -15.058 1.00 0.00 C ATOM 1338 CG GLU A 87 1.973 4.055 -14.583 1.00 0.00 C ATOM 1339 CD GLU A 87 1.011 3.130 -15.303 1.00 0.00 C ATOM 1340 OE1 GLU A 87 0.919 3.221 -16.545 1.00 0.00 O ATOM 1341 OE2 GLU A 87 0.350 2.317 -14.624 1.00 0.00 O ATOM 0 H GLU A 87 3.556 5.006 -13.326 1.00 0.00 H new ATOM 0 HA GLU A 87 3.736 6.157 -15.891 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.108 6.007 -14.470 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.530 5.502 -16.094 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.993 3.700 -14.733 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.776 4.015 -13.512 1.00 0.00 H new ATOM 1348 N LEU A 88 2.469 8.097 -13.532 1.00 0.00 N ATOM 1349 CA LEU A 88 2.157 9.481 -13.194 1.00 0.00 C ATOM 1350 C LEU A 88 3.249 10.422 -13.696 1.00 0.00 C ATOM 1351 O LEU A 88 2.963 11.515 -14.182 1.00 0.00 O ATOM 1352 CB LEU A 88 1.992 9.634 -11.681 1.00 0.00 C ATOM 1353 CG LEU A 88 1.114 8.587 -10.994 1.00 0.00 C ATOM 1354 CD1 LEU A 88 1.012 8.874 -9.504 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.268 8.551 -11.627 1.00 0.00 C ATOM 0 H LEU A 88 2.332 7.435 -12.768 1.00 0.00 H new ATOM 0 HA LEU A 88 1.220 9.746 -13.683 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.981 9.607 -11.223 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.573 10.620 -11.479 1.00 0.00 H new ATOM 0 HG LEU A 88 1.577 7.609 -11.126 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.384 8.120 -9.030 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.007 8.849 -9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.572 9.860 -9.353 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.879 7.800 -11.125 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.740 9.529 -11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.178 8.298 -12.683 1.00 0.00 H new