USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 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 20 SER OG : rot -15:sc= 0.494! USER MOD Set 1.2: A 22 THR OG1 : rot -42:sc= 0.288 USER MOD Set 1.3: A 64 GLN :FLIP amide:sc= 0.273 F(o=-0.24,f=1.1) USER MOD Single : A 16 SER OG : rot -45:sc= 0.586 USER MOD Single : A 18 LYS NZ :NH3+ 137:sc= -0.552 (180deg=-2.05!) USER MOD Single : A 26 LYS NZ :NH3+ -145:sc= -0.0965 (180deg=-1.45!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS :FLIP no HE2:sc= -6.53! C(o=-8.3!,f=-6.5!) 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 86:sc= 1.24 USER MOD Single : A 41 GLN : amide:sc= -0.0557 X(o=-0.056,f=-0.23) USER MOD Single : A 46 HIS :FLIP no HD1:sc= -2.08 F(o=-4.5!,f=-2.1) USER MOD Single : A 49 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.034) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc=-0.00842 X(o=-0.0084,f=0) USER MOD Single : A 60 GLN :FLIP amide:sc= -0.358 F(o=-1.7,f=-0.36) USER MOD Single : A 62 GLN : amide:sc= -4.51! C(o=-4.5!,f=-9.3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0.0211 K(o=0.021,f=-1.7) USER MOD Single : A 74 THR OG1 : rot -165:sc= 0.24 USER MOD ----------------------------------------------------------------- ATOM 159 N LEU A 14 2.078 -13.122 11.093 1.00 0.00 N ATOM 160 CA LEU A 14 1.958 -12.818 9.671 1.00 0.00 C ATOM 161 C LEU A 14 1.006 -11.649 9.442 1.00 0.00 C ATOM 162 O LEU A 14 1.333 -10.699 8.731 1.00 0.00 O ATOM 163 CB LEU A 14 1.467 -14.048 8.906 1.00 0.00 C ATOM 164 CG LEU A 14 2.489 -15.168 8.706 1.00 0.00 C ATOM 165 CD1 LEU A 14 1.807 -16.431 8.204 1.00 0.00 C ATOM 166 CD2 LEU A 14 3.579 -14.727 7.739 1.00 0.00 C ATOM 0 HA LEU A 14 2.944 -12.537 9.301 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.606 -14.459 9.433 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.116 -13.725 7.926 1.00 0.00 H new ATOM 0 HG LEU A 14 2.951 -15.389 9.668 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.550 -17.216 8.068 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.064 -16.757 8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.317 -16.226 7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.298 -15.536 7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.133 -14.479 6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.088 -13.850 8.140 1.00 0.00 H new ATOM 178 N ARG A 15 -0.172 -11.724 10.052 1.00 0.00 N ATOM 179 CA ARG A 15 -1.172 -10.672 9.916 1.00 0.00 C ATOM 180 C ARG A 15 -0.698 -9.383 10.581 1.00 0.00 C ATOM 181 O ARG A 15 -1.116 -8.288 10.203 1.00 0.00 O ATOM 182 CB ARG A 15 -2.500 -11.117 10.530 1.00 0.00 C ATOM 183 CG ARG A 15 -2.459 -11.242 12.044 1.00 0.00 C ATOM 184 CD ARG A 15 -3.824 -10.983 12.662 1.00 0.00 C ATOM 185 NE ARG A 15 -3.742 -10.777 14.105 1.00 0.00 N ATOM 186 CZ ARG A 15 -4.785 -10.876 14.922 1.00 0.00 C ATOM 187 NH1 ARG A 15 -5.982 -11.176 14.441 1.00 0.00 N ATOM 188 NH2 ARG A 15 -4.630 -10.674 16.225 1.00 0.00 N ATOM 0 H ARG A 15 -0.458 -12.503 10.646 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.318 -10.480 8.853 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.276 -10.403 10.254 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.785 -12.078 10.102 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.118 -12.240 12.319 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.735 -10.535 12.449 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.272 -10.106 12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.482 -11.826 12.453 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.834 -10.544 14.508 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.105 -11.332 13.441 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.781 -11.251 15.071 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.710 -10.443 16.599 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.431 -10.750 16.852 1.00 0.00 H new ATOM 202 N SER A 16 0.174 -9.521 11.574 1.00 0.00 N ATOM 203 CA SER A 16 0.700 -8.369 12.296 1.00 0.00 C ATOM 204 C SER A 16 1.932 -7.805 11.593 1.00 0.00 C ATOM 205 O SER A 16 2.784 -7.174 12.219 1.00 0.00 O ATOM 206 CB SER A 16 1.053 -8.757 13.733 1.00 0.00 C ATOM 207 OG SER A 16 1.360 -7.613 14.510 1.00 0.00 O ATOM 0 H SER A 16 0.531 -10.420 11.897 1.00 0.00 H new ATOM 0 HA SER A 16 -0.072 -7.600 12.315 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.218 -9.293 14.184 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.904 -9.438 13.730 1.00 0.00 H new ATOM 0 HG SER A 16 1.957 -7.024 14.003 1.00 0.00 H new ATOM 213 N PHE A 17 2.019 -8.037 10.287 1.00 0.00 N ATOM 214 CA PHE A 17 3.146 -7.554 9.498 1.00 0.00 C ATOM 215 C PHE A 17 2.878 -6.146 8.973 1.00 0.00 C ATOM 216 O PHE A 17 1.862 -5.895 8.325 1.00 0.00 O ATOM 217 CB PHE A 17 3.422 -8.502 8.329 1.00 0.00 C ATOM 218 CG PHE A 17 4.112 -7.841 7.170 1.00 0.00 C ATOM 219 CD1 PHE A 17 3.399 -7.048 6.284 1.00 0.00 C ATOM 220 CD2 PHE A 17 5.471 -8.010 6.969 1.00 0.00 C ATOM 221 CE1 PHE A 17 4.032 -6.440 5.216 1.00 0.00 C ATOM 222 CE2 PHE A 17 6.109 -7.403 5.903 1.00 0.00 C ATOM 223 CZ PHE A 17 5.388 -6.616 5.027 1.00 0.00 C ATOM 0 H PHE A 17 1.322 -8.557 9.753 1.00 0.00 H new ATOM 0 HA PHE A 17 4.023 -7.522 10.145 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.035 -9.331 8.681 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.479 -8.927 7.986 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.339 -6.904 6.430 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.040 -8.623 7.653 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.466 -5.828 4.530 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.170 -7.544 5.756 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.884 -6.139 4.195 1.00 0.00 H new ATOM 233 N LYS A 18 3.797 -5.231 9.259 1.00 0.00 N ATOM 234 CA LYS A 18 3.663 -3.847 8.816 1.00 0.00 C ATOM 235 C LYS A 18 4.705 -3.512 7.755 1.00 0.00 C ATOM 236 O LYS A 18 5.897 -3.763 7.940 1.00 0.00 O ATOM 237 CB LYS A 18 3.805 -2.894 10.005 1.00 0.00 C ATOM 238 CG LYS A 18 3.350 -1.476 9.705 1.00 0.00 C ATOM 239 CD LYS A 18 3.109 -0.686 10.981 1.00 0.00 C ATOM 240 CE LYS A 18 1.720 -0.945 11.543 1.00 0.00 C ATOM 241 NZ LYS A 18 1.692 -2.149 12.419 1.00 0.00 N ATOM 0 H LYS A 18 4.643 -5.422 9.796 1.00 0.00 H new ATOM 0 HA LYS A 18 2.672 -3.726 8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.226 -3.283 10.843 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.848 -2.873 10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.104 -0.971 9.100 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.434 -1.504 9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.859 -0.956 11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.228 0.378 10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.390 -0.075 12.111 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.015 -1.076 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.128 -1.947 13.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.266 -2.944 11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.662 -2.398 12.698 1.00 0.00 H new ATOM 255 N LEU A 19 4.251 -2.942 6.644 1.00 0.00 N ATOM 256 CA LEU A 19 5.145 -2.570 5.554 1.00 0.00 C ATOM 257 C LEU A 19 5.142 -1.060 5.337 1.00 0.00 C ATOM 258 O LEU A 19 4.155 -0.384 5.626 1.00 0.00 O ATOM 259 CB LEU A 19 4.733 -3.283 4.264 1.00 0.00 C ATOM 260 CG LEU A 19 5.428 -2.814 2.986 1.00 0.00 C ATOM 261 CD1 LEU A 19 6.826 -3.405 2.890 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.603 -3.187 1.763 1.00 0.00 C ATOM 0 H LEU A 19 3.268 -2.727 6.475 1.00 0.00 H new ATOM 0 HA LEU A 19 6.155 -2.877 5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.922 -4.350 4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.658 -3.163 4.134 1.00 0.00 H new ATOM 0 HG LEU A 19 5.518 -1.728 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.305 -3.060 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.415 -3.087 3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.761 -4.493 2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.113 -2.845 0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.481 -4.269 1.723 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.623 -2.714 1.827 1.00 0.00 H new ATOM 274 N SER A 20 6.253 -0.538 4.825 1.00 0.00 N ATOM 275 CA SER A 20 6.378 0.892 4.571 1.00 0.00 C ATOM 276 C SER A 20 6.768 1.153 3.119 1.00 0.00 C ATOM 277 O SER A 20 7.839 0.750 2.669 1.00 0.00 O ATOM 278 CB SER A 20 7.418 1.508 5.508 1.00 0.00 C ATOM 279 OG SER A 20 8.711 1.476 4.927 1.00 0.00 O ATOM 0 H SER A 20 7.078 -1.084 4.578 1.00 0.00 H new ATOM 0 HA SER A 20 5.410 1.356 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.143 2.538 5.734 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.427 0.965 6.453 1.00 0.00 H new ATOM 0 HG SER A 20 8.710 0.866 4.160 1.00 0.00 H new ATOM 285 N VAL A 21 5.886 1.831 2.390 1.00 0.00 N ATOM 286 CA VAL A 21 6.136 2.148 0.990 1.00 0.00 C ATOM 287 C VAL A 21 6.674 3.566 0.834 1.00 0.00 C ATOM 288 O VAL A 21 6.116 4.518 1.381 1.00 0.00 O ATOM 289 CB VAL A 21 4.858 2.001 0.143 1.00 0.00 C ATOM 290 CG1 VAL A 21 5.207 1.827 -1.327 1.00 0.00 C ATOM 291 CG2 VAL A 21 4.022 0.832 0.642 1.00 0.00 C ATOM 0 H VAL A 21 4.993 2.171 2.747 1.00 0.00 H new ATOM 0 HA VAL A 21 6.883 1.438 0.635 1.00 0.00 H new ATOM 0 HB VAL A 21 4.268 2.912 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.291 1.725 -1.909 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.762 2.698 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.818 0.933 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.123 0.742 0.033 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.603 -0.088 0.570 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.741 1.003 1.681 1.00 0.00 H new ATOM 301 N THR A 22 7.763 3.702 0.083 1.00 0.00 N ATOM 302 CA THR A 22 8.377 5.004 -0.144 1.00 0.00 C ATOM 303 C THR A 22 7.851 5.645 -1.423 1.00 0.00 C ATOM 304 O THR A 22 8.317 5.338 -2.520 1.00 0.00 O ATOM 305 CB THR A 22 9.912 4.894 -0.232 1.00 0.00 C ATOM 306 OG1 THR A 22 10.415 4.152 0.885 1.00 0.00 O ATOM 307 CG2 THR A 22 10.552 6.272 -0.262 1.00 0.00 C ATOM 0 H THR A 22 8.238 2.926 -0.378 1.00 0.00 H new ATOM 0 HA THR A 22 8.113 5.630 0.708 1.00 0.00 H new ATOM 0 HB THR A 22 10.165 4.374 -1.156 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.942 4.425 1.699 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.635 6.169 -0.324 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.190 6.823 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.291 6.814 0.647 1.00 0.00 H new ATOM 315 N VAL A 23 6.878 6.537 -1.274 1.00 0.00 N ATOM 316 CA VAL A 23 6.288 7.223 -2.418 1.00 0.00 C ATOM 317 C VAL A 23 5.948 8.669 -2.076 1.00 0.00 C ATOM 318 O VAL A 23 5.262 8.940 -1.090 1.00 0.00 O ATOM 319 CB VAL A 23 5.015 6.509 -2.906 1.00 0.00 C ATOM 320 CG1 VAL A 23 4.360 7.294 -4.033 1.00 0.00 C ATOM 321 CG2 VAL A 23 5.337 5.091 -3.352 1.00 0.00 C ATOM 0 H VAL A 23 6.481 6.802 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 23 7.032 7.206 -3.215 1.00 0.00 H new ATOM 0 HB VAL A 23 4.311 6.454 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.462 6.773 -4.365 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.092 8.288 -3.676 1.00 0.00 H new ATOM 0 HG13 VAL A 23 5.056 7.383 -4.867 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.425 4.601 -3.694 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.060 5.121 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.757 4.533 -2.515 1.00 0.00 H new ATOM 331 N ASP A 24 6.431 9.595 -2.898 1.00 0.00 N ATOM 332 CA ASP A 24 6.175 11.016 -2.683 1.00 0.00 C ATOM 333 C ASP A 24 4.716 11.256 -2.312 1.00 0.00 C ATOM 334 O ASP A 24 3.806 10.591 -2.810 1.00 0.00 O ATOM 335 CB ASP A 24 6.535 11.814 -3.937 1.00 0.00 C ATOM 336 CG ASP A 24 8.031 11.876 -4.175 1.00 0.00 C ATOM 337 OD1 ASP A 24 8.678 12.803 -3.646 1.00 0.00 O ATOM 338 OD2 ASP A 24 8.555 10.998 -4.893 1.00 0.00 O ATOM 0 H ASP A 24 7.001 9.388 -3.718 1.00 0.00 H new ATOM 0 HA ASP A 24 6.800 11.352 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.051 11.362 -4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.143 12.827 -3.845 1.00 0.00 H new ATOM 343 N PRO A 25 4.484 12.227 -1.418 1.00 0.00 N ATOM 344 CA PRO A 25 3.136 12.578 -0.960 1.00 0.00 C ATOM 345 C PRO A 25 2.310 13.251 -2.052 1.00 0.00 C ATOM 346 O PRO A 25 1.133 13.552 -1.856 1.00 0.00 O ATOM 347 CB PRO A 25 3.395 13.552 0.192 1.00 0.00 C ATOM 348 CG PRO A 25 4.730 14.143 -0.104 1.00 0.00 C ATOM 349 CD PRO A 25 5.521 13.060 -0.785 1.00 0.00 C ATOM 0 HA PRO A 25 2.562 11.698 -0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 25 2.624 14.321 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 25 3.394 13.038 1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.635 15.019 -0.746 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.224 14.470 0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.212 13.470 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 25 6.116 12.489 -0.073 1.00 0.00 H new ATOM 357 N LYS A 26 2.935 13.485 -3.201 1.00 0.00 N ATOM 358 CA LYS A 26 2.257 14.120 -4.324 1.00 0.00 C ATOM 359 C LYS A 26 1.387 13.116 -5.073 1.00 0.00 C ATOM 360 O LYS A 26 0.428 13.494 -5.748 1.00 0.00 O ATOM 361 CB LYS A 26 3.281 14.736 -5.281 1.00 0.00 C ATOM 362 CG LYS A 26 3.994 13.714 -6.150 1.00 0.00 C ATOM 363 CD LYS A 26 4.627 14.363 -7.369 1.00 0.00 C ATOM 364 CE LYS A 26 5.990 14.953 -7.041 1.00 0.00 C ATOM 365 NZ LYS A 26 5.875 16.257 -6.332 1.00 0.00 N ATOM 0 H LYS A 26 3.910 13.244 -3.379 1.00 0.00 H new ATOM 0 HA LYS A 26 1.615 14.908 -3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.777 15.458 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.021 15.287 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.763 13.210 -5.564 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.286 12.950 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.731 13.624 -8.163 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.971 15.147 -7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.550 14.252 -6.422 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.558 15.089 -7.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.651 16.883 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.964 16.701 -6.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.929 16.100 -5.305 1.00 0.00 H new ATOM 379 N TYR A 27 1.724 11.838 -4.948 1.00 0.00 N ATOM 380 CA TYR A 27 0.972 10.780 -5.613 1.00 0.00 C ATOM 381 C TYR A 27 0.029 10.084 -4.637 1.00 0.00 C ATOM 382 O TYR A 27 -0.886 9.367 -5.043 1.00 0.00 O ATOM 383 CB TYR A 27 1.928 9.759 -6.232 1.00 0.00 C ATOM 384 CG TYR A 27 2.867 10.352 -7.258 1.00 0.00 C ATOM 385 CD1 TYR A 27 2.425 11.309 -8.163 1.00 0.00 C ATOM 386 CD2 TYR A 27 4.199 9.956 -7.320 1.00 0.00 C ATOM 387 CE1 TYR A 27 3.280 11.853 -9.102 1.00 0.00 C ATOM 388 CE2 TYR A 27 5.060 10.496 -8.255 1.00 0.00 C ATOM 389 CZ TYR A 27 4.596 11.444 -9.143 1.00 0.00 C ATOM 390 OH TYR A 27 5.451 11.984 -10.076 1.00 0.00 O ATOM 0 H TYR A 27 2.513 11.509 -4.392 1.00 0.00 H new ATOM 0 HA TYR A 27 0.375 11.235 -6.403 1.00 0.00 H new ATOM 0 HB2 TYR A 27 2.515 9.297 -5.439 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.345 8.966 -6.701 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.395 11.633 -8.132 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.566 9.214 -6.626 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.920 12.594 -9.800 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.091 10.178 -8.291 1.00 0.00 H new ATOM 0 HH TYR A 27 6.342 11.590 -9.970 1.00 0.00 H new ATOM 400 N HIS A 28 0.258 10.303 -3.345 1.00 0.00 N ATOM 401 CA HIS A 28 -0.571 9.698 -2.309 1.00 0.00 C ATOM 402 C HIS A 28 -2.053 9.900 -2.613 1.00 0.00 C ATOM 403 O HIS A 28 -2.814 8.945 -2.769 1.00 0.00 O ATOM 404 CB HIS A 28 -0.233 10.296 -0.943 1.00 0.00 C ATOM 405 CG HIS A 28 0.787 9.507 -0.180 1.00 0.00 C ATOM 406 ND1 HIS A 28 1.707 8.608 -0.600 1.00 0.00 N flip ATOM 407 CD2 HIS A 28 0.939 9.598 1.188 1.00 0.00 C flip ATOM 408 CE1 HIS A 28 2.392 8.177 0.509 1.00 0.00 C flip ATOM 409 NE2 HIS A 28 1.910 8.790 1.574 1.00 0.00 N flip ATOM 0 H HIS A 28 1.010 10.894 -2.992 1.00 0.00 H new ATOM 0 HA HIS A 28 -0.364 8.628 -2.291 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.135 11.313 -1.081 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.145 10.365 -0.350 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.863 8.307 -1.562 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.356 10.230 1.841 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.194 7.454 0.510 1.00 0.00 H new ATOM 417 N PRO A 29 -2.472 11.170 -2.699 1.00 0.00 N ATOM 418 CA PRO A 29 -3.866 11.526 -2.984 1.00 0.00 C ATOM 419 C PRO A 29 -4.267 11.194 -4.417 1.00 0.00 C ATOM 420 O PRO A 29 -5.433 11.325 -4.793 1.00 0.00 O ATOM 421 CB PRO A 29 -3.899 13.040 -2.757 1.00 0.00 C ATOM 422 CG PRO A 29 -2.497 13.488 -2.987 1.00 0.00 C ATOM 423 CD PRO A 29 -1.619 12.358 -2.525 1.00 0.00 C ATOM 0 HA PRO A 29 -4.565 10.972 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.589 13.529 -3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.231 13.282 -1.747 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.326 13.709 -4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.283 14.401 -2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.708 12.289 -3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.314 12.485 -1.486 1.00 0.00 H new ATOM 431 N LYS A 30 -3.295 10.762 -5.214 1.00 0.00 N ATOM 432 CA LYS A 30 -3.547 10.408 -6.606 1.00 0.00 C ATOM 433 C LYS A 30 -3.899 8.930 -6.736 1.00 0.00 C ATOM 434 O LYS A 30 -4.628 8.534 -7.647 1.00 0.00 O ATOM 435 CB LYS A 30 -2.321 10.729 -7.465 1.00 0.00 C ATOM 436 CG LYS A 30 -2.059 12.217 -7.618 1.00 0.00 C ATOM 437 CD LYS A 30 -2.958 12.835 -8.675 1.00 0.00 C ATOM 438 CE LYS A 30 -2.558 14.272 -8.976 1.00 0.00 C ATOM 439 NZ LYS A 30 -1.384 14.341 -9.889 1.00 0.00 N ATOM 0 H LYS A 30 -2.325 10.649 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.394 10.997 -6.957 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.444 10.258 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.455 10.289 -8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.222 12.716 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.015 12.378 -7.887 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.907 12.243 -9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.993 12.808 -8.335 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.400 14.797 -9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.324 14.787 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.143 15.336 -10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.573 13.863 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.615 13.872 -10.788 1.00 0.00 H new ATOM 453 N ILE A 31 -3.379 8.119 -5.821 1.00 0.00 N ATOM 454 CA ILE A 31 -3.642 6.685 -5.834 1.00 0.00 C ATOM 455 C ILE A 31 -5.020 6.374 -5.261 1.00 0.00 C ATOM 456 O ILE A 31 -5.735 5.511 -5.772 1.00 0.00 O ATOM 457 CB ILE A 31 -2.578 5.911 -5.032 1.00 0.00 C ATOM 458 CG1 ILE A 31 -1.175 6.282 -5.515 1.00 0.00 C ATOM 459 CG2 ILE A 31 -2.808 4.413 -5.157 1.00 0.00 C ATOM 460 CD1 ILE A 31 -0.117 6.169 -4.439 1.00 0.00 C ATOM 0 H ILE A 31 -2.773 8.430 -5.062 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.604 6.366 -6.876 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.664 6.186 -3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.904 5.635 -6.350 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.188 7.304 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.049 3.879 -4.585 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.796 4.163 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.744 4.121 -6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.853 6.447 -4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.365 6.836 -3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.076 5.142 -4.076 1.00 0.00 H new ATOM 472 N ILE A 32 -5.388 7.083 -4.199 1.00 0.00 N ATOM 473 CA ILE A 32 -6.682 6.885 -3.559 1.00 0.00 C ATOM 474 C ILE A 32 -7.810 6.885 -4.586 1.00 0.00 C ATOM 475 O ILE A 32 -8.576 5.928 -4.682 1.00 0.00 O ATOM 476 CB ILE A 32 -6.963 7.973 -2.507 1.00 0.00 C ATOM 477 CG1 ILE A 32 -6.018 7.815 -1.314 1.00 0.00 C ATOM 478 CG2 ILE A 32 -8.413 7.910 -2.052 1.00 0.00 C ATOM 479 CD1 ILE A 32 -6.049 8.987 -0.358 1.00 0.00 C ATOM 0 H ILE A 32 -4.808 7.800 -3.764 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.643 5.914 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 32 -6.788 8.949 -2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.280 6.907 -0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.000 7.684 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.595 8.686 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.070 8.066 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.615 6.933 -1.614 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.355 8.806 0.463 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.757 9.895 -0.886 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.057 9.106 0.039 1.00 0.00 H new ATOM 491 N GLY A 33 -7.902 7.965 -5.356 1.00 0.00 N ATOM 492 CA GLY A 33 -8.938 8.068 -6.368 1.00 0.00 C ATOM 493 C GLY A 33 -9.904 9.203 -6.094 1.00 0.00 C ATOM 494 O GLY A 33 -9.808 9.875 -5.067 1.00 0.00 O ATOM 0 H GLY A 33 -7.278 8.770 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.475 8.216 -7.344 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.489 7.129 -6.416 1.00 0.00 H new ATOM 498 N ARG A 34 -10.838 9.418 -7.014 1.00 0.00 N ATOM 499 CA ARG A 34 -11.825 10.481 -6.868 1.00 0.00 C ATOM 500 C ARG A 34 -12.442 10.462 -5.473 1.00 0.00 C ATOM 501 O ARG A 34 -12.259 11.394 -4.688 1.00 0.00 O ATOM 502 CB ARG A 34 -12.923 10.335 -7.923 1.00 0.00 C ATOM 503 CG ARG A 34 -12.623 11.072 -9.219 1.00 0.00 C ATOM 504 CD ARG A 34 -13.900 11.524 -9.911 1.00 0.00 C ATOM 505 NE ARG A 34 -14.703 12.400 -9.061 1.00 0.00 N ATOM 506 CZ ARG A 34 -16.003 12.607 -9.240 1.00 0.00 C ATOM 507 NH1 ARG A 34 -16.644 12.004 -10.232 1.00 0.00 N ATOM 508 NH2 ARG A 34 -16.665 13.417 -8.424 1.00 0.00 N ATOM 0 H ARG A 34 -10.932 8.870 -7.869 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.317 11.435 -7.010 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -13.067 9.277 -8.141 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -13.862 10.707 -7.512 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.995 11.938 -9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -12.057 10.422 -9.886 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.647 12.047 -10.833 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -14.489 10.651 -10.191 1.00 0.00 H new ATOM 0 HE ARG A 34 -14.240 12.879 -8.288 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -16.139 11.379 -10.860 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -17.642 12.165 -10.367 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.176 13.881 -7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.663 13.576 -8.562 1.00 0.00 H new ATOM 522 N LYS A 35 -13.174 9.396 -5.169 1.00 0.00 N ATOM 523 CA LYS A 35 -13.818 9.254 -3.869 1.00 0.00 C ATOM 524 C LYS A 35 -13.040 8.289 -2.978 1.00 0.00 C ATOM 525 O LYS A 35 -13.043 8.419 -1.756 1.00 0.00 O ATOM 526 CB LYS A 35 -15.256 8.759 -4.039 1.00 0.00 C ATOM 527 CG LYS A 35 -16.034 8.688 -2.736 1.00 0.00 C ATOM 528 CD LYS A 35 -17.432 8.133 -2.951 1.00 0.00 C ATOM 529 CE LYS A 35 -18.041 7.640 -1.648 1.00 0.00 C ATOM 530 NZ LYS A 35 -17.586 6.262 -1.308 1.00 0.00 N ATOM 0 H LYS A 35 -13.336 8.616 -5.807 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.831 10.233 -3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.780 9.420 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -15.239 7.770 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -15.498 8.060 -2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.100 9.683 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.069 8.905 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.393 7.314 -3.669 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.771 8.321 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.128 7.654 -1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -18.024 5.963 -0.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -17.866 5.607 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -16.551 6.253 -1.207 1.00 0.00 H new ATOM 544 N GLY A 36 -12.373 7.323 -3.602 1.00 0.00 N ATOM 545 CA GLY A 36 -11.598 6.351 -2.852 1.00 0.00 C ATOM 546 C GLY A 36 -11.922 4.924 -3.244 1.00 0.00 C ATOM 547 O GLY A 36 -11.785 4.005 -2.436 1.00 0.00 O ATOM 0 H GLY A 36 -12.355 7.196 -4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.536 6.536 -3.012 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.788 6.484 -1.787 1.00 0.00 H new ATOM 551 N ALA A 37 -12.355 4.736 -4.486 1.00 0.00 N ATOM 552 CA ALA A 37 -12.698 3.410 -4.984 1.00 0.00 C ATOM 553 C ALA A 37 -11.464 2.683 -5.505 1.00 0.00 C ATOM 554 O ALA A 37 -11.231 1.519 -5.174 1.00 0.00 O ATOM 555 CB ALA A 37 -13.753 3.513 -6.074 1.00 0.00 C ATOM 0 H ALA A 37 -12.477 5.486 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.104 2.831 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.000 2.515 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.649 3.984 -5.670 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.368 4.114 -6.898 1.00 0.00 H new ATOM 561 N VAL A 38 -10.676 3.374 -6.322 1.00 0.00 N ATOM 562 CA VAL A 38 -9.465 2.792 -6.890 1.00 0.00 C ATOM 563 C VAL A 38 -8.685 2.012 -5.837 1.00 0.00 C ATOM 564 O VAL A 38 -8.455 0.811 -5.985 1.00 0.00 O ATOM 565 CB VAL A 38 -8.551 3.877 -7.490 1.00 0.00 C ATOM 566 CG1 VAL A 38 -7.268 3.258 -8.025 1.00 0.00 C ATOM 567 CG2 VAL A 38 -9.281 4.640 -8.586 1.00 0.00 C ATOM 0 H VAL A 38 -10.854 4.337 -6.606 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.780 2.113 -7.682 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.285 4.582 -6.702 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.635 4.039 -8.445 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.739 2.759 -7.213 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.510 2.531 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.621 5.403 -8.999 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -9.576 3.949 -9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.169 5.115 -8.169 1.00 0.00 H new ATOM 577 N ILE A 39 -8.281 2.702 -4.776 1.00 0.00 N ATOM 578 CA ILE A 39 -7.529 2.073 -3.698 1.00 0.00 C ATOM 579 C ILE A 39 -8.258 0.847 -3.159 1.00 0.00 C ATOM 580 O ILE A 39 -7.663 -0.216 -2.981 1.00 0.00 O ATOM 581 CB ILE A 39 -7.276 3.056 -2.539 1.00 0.00 C ATOM 582 CG1 ILE A 39 -6.420 2.394 -1.457 1.00 0.00 C ATOM 583 CG2 ILE A 39 -8.596 3.538 -1.957 1.00 0.00 C ATOM 584 CD1 ILE A 39 -4.945 2.362 -1.789 1.00 0.00 C ATOM 0 H ILE A 39 -8.462 3.697 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.572 1.767 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.735 3.919 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.561 2.927 -0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.771 1.374 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -8.401 4.232 -1.139 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.172 4.043 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.162 2.685 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.400 1.879 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.792 1.803 -2.712 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.578 3.381 -1.916 1.00 0.00 H new ATOM 596 N THR A 40 -9.554 1.002 -2.904 1.00 0.00 N ATOM 597 CA THR A 40 -10.367 -0.092 -2.387 1.00 0.00 C ATOM 598 C THR A 40 -10.157 -1.365 -3.200 1.00 0.00 C ATOM 599 O THR A 40 -10.033 -2.455 -2.641 1.00 0.00 O ATOM 600 CB THR A 40 -11.864 0.268 -2.397 1.00 0.00 C ATOM 601 OG1 THR A 40 -12.073 1.513 -1.721 1.00 0.00 O ATOM 602 CG2 THR A 40 -12.687 -0.823 -1.728 1.00 0.00 C ATOM 0 H THR A 40 -10.063 1.874 -3.047 1.00 0.00 H new ATOM 0 HA THR A 40 -10.049 -0.264 -1.359 1.00 0.00 H new ATOM 0 HB THR A 40 -12.186 0.360 -3.434 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.945 2.253 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.741 -0.547 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.548 -1.763 -2.263 1.00 0.00 H new ATOM 0 HG23 THR A 40 -12.362 -0.942 -0.695 1.00 0.00 H new ATOM 610 N GLN A 41 -10.117 -1.219 -4.520 1.00 0.00 N ATOM 611 CA GLN A 41 -9.920 -2.358 -5.409 1.00 0.00 C ATOM 612 C GLN A 41 -8.636 -3.104 -5.063 1.00 0.00 C ATOM 613 O GLN A 41 -8.623 -4.332 -4.984 1.00 0.00 O ATOM 614 CB GLN A 41 -9.879 -1.895 -6.865 1.00 0.00 C ATOM 615 CG GLN A 41 -9.538 -3.003 -7.848 1.00 0.00 C ATOM 616 CD GLN A 41 -10.375 -4.249 -7.634 1.00 0.00 C ATOM 617 OE1 GLN A 41 -11.586 -4.170 -7.431 1.00 0.00 O ATOM 618 NE2 GLN A 41 -9.732 -5.410 -7.681 1.00 0.00 N ATOM 0 H GLN A 41 -10.218 -0.324 -4.998 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.760 -3.039 -5.276 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.848 -1.472 -7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.144 -1.096 -6.963 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.687 -2.640 -8.865 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.483 -3.258 -7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.727 -5.430 -7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -10.244 -6.282 -7.546 1.00 0.00 H new ATOM 627 N ILE A 42 -7.559 -2.353 -4.859 1.00 0.00 N ATOM 628 CA ILE A 42 -6.270 -2.943 -4.521 1.00 0.00 C ATOM 629 C ILE A 42 -6.296 -3.561 -3.127 1.00 0.00 C ATOM 630 O ILE A 42 -5.780 -4.658 -2.913 1.00 0.00 O ATOM 631 CB ILE A 42 -5.139 -1.900 -4.587 1.00 0.00 C ATOM 632 CG1 ILE A 42 -5.046 -1.304 -5.993 1.00 0.00 C ATOM 633 CG2 ILE A 42 -3.813 -2.530 -4.184 1.00 0.00 C ATOM 634 CD1 ILE A 42 -4.386 0.056 -6.030 1.00 0.00 C ATOM 0 H ILE A 42 -7.554 -1.335 -4.922 1.00 0.00 H new ATOM 0 HA ILE A 42 -6.077 -3.723 -5.258 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.365 -1.096 -3.886 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.487 -1.988 -6.632 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.049 -1.224 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.023 -1.780 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.886 -2.911 -3.165 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.579 -3.351 -4.862 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.354 0.417 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.957 0.754 -5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.371 -0.022 -5.641 1.00 0.00 H new ATOM 646 N ARG A 43 -6.903 -2.850 -2.182 1.00 0.00 N ATOM 647 CA ARG A 43 -6.998 -3.329 -0.808 1.00 0.00 C ATOM 648 C ARG A 43 -7.725 -4.669 -0.749 1.00 0.00 C ATOM 649 O ARG A 43 -7.263 -5.609 -0.099 1.00 0.00 O ATOM 650 CB ARG A 43 -7.726 -2.302 0.062 1.00 0.00 C ATOM 651 CG ARG A 43 -6.915 -1.046 0.329 1.00 0.00 C ATOM 652 CD ARG A 43 -7.687 -0.055 1.185 1.00 0.00 C ATOM 653 NE ARG A 43 -7.888 -0.546 2.546 1.00 0.00 N ATOM 654 CZ ARG A 43 -8.890 -1.343 2.899 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.777 -1.738 1.997 1.00 0.00 N ATOM 656 NH2 ARG A 43 -9.005 -1.749 4.157 1.00 0.00 N ATOM 0 H ARG A 43 -7.336 -1.941 -2.343 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.987 -3.467 -0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.661 -2.024 -0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.987 -2.765 1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.984 -1.312 0.829 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.645 -0.578 -0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.149 0.892 1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.655 0.144 0.725 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.222 -0.261 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.691 -1.430 1.028 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.545 -2.350 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.323 -1.449 4.854 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.775 -2.361 4.427 1.00 0.00 H new ATOM 670 N LEU A 44 -8.863 -4.750 -1.428 1.00 0.00 N ATOM 671 CA LEU A 44 -9.654 -5.975 -1.452 1.00 0.00 C ATOM 672 C LEU A 44 -8.946 -7.066 -2.250 1.00 0.00 C ATOM 673 O LEU A 44 -8.958 -8.234 -1.866 1.00 0.00 O ATOM 674 CB LEU A 44 -11.034 -5.702 -2.053 1.00 0.00 C ATOM 675 CG LEU A 44 -12.038 -4.997 -1.140 1.00 0.00 C ATOM 676 CD1 LEU A 44 -13.279 -4.594 -1.919 1.00 0.00 C ATOM 677 CD2 LEU A 44 -12.410 -5.892 0.034 1.00 0.00 C ATOM 0 H LEU A 44 -9.259 -3.982 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.773 -6.321 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.904 -5.098 -2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.465 -6.652 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.571 -4.093 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.981 -4.094 -1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.998 -3.916 -2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.749 -5.483 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -13.125 -5.375 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.857 -6.814 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.515 -6.129 0.609 1.00 0.00 H new ATOM 689 N GLU A 45 -8.329 -6.673 -3.360 1.00 0.00 N ATOM 690 CA GLU A 45 -7.615 -7.617 -4.210 1.00 0.00 C ATOM 691 C GLU A 45 -6.669 -8.485 -3.385 1.00 0.00 C ATOM 692 O GLU A 45 -6.779 -9.710 -3.379 1.00 0.00 O ATOM 693 CB GLU A 45 -6.828 -6.871 -5.291 1.00 0.00 C ATOM 694 CG GLU A 45 -6.188 -7.788 -6.320 1.00 0.00 C ATOM 695 CD GLU A 45 -7.141 -8.164 -7.438 1.00 0.00 C ATOM 696 OE1 GLU A 45 -8.336 -8.382 -7.150 1.00 0.00 O ATOM 697 OE2 GLU A 45 -6.691 -8.243 -8.600 1.00 0.00 O ATOM 0 H GLU A 45 -8.310 -5.708 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.351 -8.264 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.496 -6.177 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.050 -6.274 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.312 -7.297 -6.744 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.838 -8.694 -5.826 1.00 0.00 H new ATOM 704 N HIS A 46 -5.737 -7.838 -2.689 1.00 0.00 N ATOM 705 CA HIS A 46 -4.771 -8.550 -1.860 1.00 0.00 C ATOM 706 C HIS A 46 -5.263 -8.652 -0.419 1.00 0.00 C ATOM 707 O HIS A 46 -4.525 -9.076 0.470 1.00 0.00 O ATOM 708 CB HIS A 46 -3.416 -7.844 -1.901 1.00 0.00 C ATOM 709 CG HIS A 46 -2.952 -7.517 -3.286 1.00 0.00 C ATOM 710 ND1 HIS A 46 -2.859 -6.330 -3.931 1.00 0.00 N flip ATOM 711 CD2 HIS A 46 -2.514 -8.472 -4.179 1.00 0.00 C flip ATOM 712 CE1 HIS A 46 -2.372 -6.588 -5.189 1.00 0.00 C flip ATOM 713 NE2 HIS A 46 -2.171 -7.888 -5.313 1.00 0.00 N flip ATOM 0 H HIS A 46 -5.631 -6.824 -2.683 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.659 -9.558 -2.258 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.478 -6.923 -1.321 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.672 -8.476 -1.417 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -2.460 -9.532 -3.982 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.184 -5.848 -5.953 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.812 -8.360 -6.143 1.00 0.00 H new ATOM 721 N ASP A 47 -6.513 -8.260 -0.196 1.00 0.00 N ATOM 722 CA ASP A 47 -7.104 -8.307 1.135 1.00 0.00 C ATOM 723 C ASP A 47 -6.154 -7.713 2.172 1.00 0.00 C ATOM 724 O ASP A 47 -5.868 -8.334 3.195 1.00 0.00 O ATOM 725 CB ASP A 47 -7.451 -9.748 1.512 1.00 0.00 C ATOM 726 CG ASP A 47 -8.852 -10.135 1.084 1.00 0.00 C ATOM 727 OD1 ASP A 47 -9.093 -10.235 -0.137 1.00 0.00 O ATOM 728 OD2 ASP A 47 -9.709 -10.337 1.970 1.00 0.00 O ATOM 0 H ASP A 47 -7.137 -7.906 -0.921 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.018 -7.713 1.121 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.733 -10.425 1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -7.356 -9.871 2.591 1.00 0.00 H new ATOM 733 N VAL A 48 -5.668 -6.506 1.899 1.00 0.00 N ATOM 734 CA VAL A 48 -4.751 -5.827 2.808 1.00 0.00 C ATOM 735 C VAL A 48 -5.253 -4.430 3.152 1.00 0.00 C ATOM 736 O VAL A 48 -6.081 -3.863 2.440 1.00 0.00 O ATOM 737 CB VAL A 48 -3.339 -5.720 2.202 1.00 0.00 C ATOM 738 CG1 VAL A 48 -2.734 -7.101 2.007 1.00 0.00 C ATOM 739 CG2 VAL A 48 -3.381 -4.956 0.886 1.00 0.00 C ATOM 0 H VAL A 48 -5.894 -5.978 1.056 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.704 -6.426 3.717 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.706 -5.168 2.897 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.737 -7.004 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.667 -7.608 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.364 -7.682 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.375 -4.890 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.030 -5.478 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.769 -3.952 1.060 1.00 0.00 H new ATOM 749 N ASN A 49 -4.746 -3.878 4.249 1.00 0.00 N ATOM 750 CA ASN A 49 -5.142 -2.546 4.689 1.00 0.00 C ATOM 751 C ASN A 49 -4.114 -1.502 4.260 1.00 0.00 C ATOM 752 O ASN A 49 -2.960 -1.542 4.689 1.00 0.00 O ATOM 753 CB ASN A 49 -5.311 -2.517 6.209 1.00 0.00 C ATOM 754 CG ASN A 49 -5.250 -1.110 6.771 1.00 0.00 C ATOM 755 OD1 ASN A 49 -6.270 -0.427 6.878 1.00 0.00 O ATOM 756 ND2 ASN A 49 -4.051 -0.669 7.133 1.00 0.00 N ATOM 0 H ASN A 49 -4.059 -4.333 4.850 1.00 0.00 H new ATOM 0 HA ASN A 49 -6.096 -2.305 4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -6.266 -2.970 6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.532 -3.124 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.948 0.270 7.518 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.233 -1.269 7.027 1.00 0.00 H new ATOM 763 N ILE A 50 -4.541 -0.572 3.414 1.00 0.00 N ATOM 764 CA ILE A 50 -3.658 0.482 2.930 1.00 0.00 C ATOM 765 C ILE A 50 -4.078 1.844 3.472 1.00 0.00 C ATOM 766 O ILE A 50 -5.114 2.384 3.086 1.00 0.00 O ATOM 767 CB ILE A 50 -3.641 0.539 1.390 1.00 0.00 C ATOM 768 CG1 ILE A 50 -3.223 -0.815 0.814 1.00 0.00 C ATOM 769 CG2 ILE A 50 -2.704 1.637 0.911 1.00 0.00 C ATOM 770 CD1 ILE A 50 -3.722 -1.052 -0.594 1.00 0.00 C ATOM 0 H ILE A 50 -5.492 -0.526 3.049 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.657 0.244 3.289 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.647 0.768 1.038 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.135 -0.884 0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.597 -1.608 1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.703 1.665 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.042 2.598 1.298 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.695 1.436 1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.388 -2.031 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.811 -1.015 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.326 -0.281 -1.255 1.00 0.00 H new ATOM 782 N GLN A 51 -3.265 2.394 4.368 1.00 0.00 N ATOM 783 CA GLN A 51 -3.552 3.694 4.963 1.00 0.00 C ATOM 784 C GLN A 51 -2.415 4.676 4.700 1.00 0.00 C ATOM 785 O GLN A 51 -1.242 4.342 4.866 1.00 0.00 O ATOM 786 CB GLN A 51 -3.780 3.550 6.469 1.00 0.00 C ATOM 787 CG GLN A 51 -4.705 4.609 7.048 1.00 0.00 C ATOM 788 CD GLN A 51 -4.872 4.480 8.549 1.00 0.00 C ATOM 789 OE1 GLN A 51 -5.705 3.710 9.029 1.00 0.00 O ATOM 790 NE2 GLN A 51 -4.078 5.234 9.301 1.00 0.00 N ATOM 0 H GLN A 51 -2.403 1.960 4.698 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.459 4.085 4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.198 2.564 6.672 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.819 3.600 6.980 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.311 5.598 6.814 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.682 4.534 6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.402 5.858 8.862 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.145 5.189 10.318 1.00 0.00 H new ATOM 799 N PHE A 52 -2.771 5.889 4.288 1.00 0.00 N ATOM 800 CA PHE A 52 -1.780 6.919 4.001 1.00 0.00 C ATOM 801 C PHE A 52 -1.625 7.869 5.185 1.00 0.00 C ATOM 802 O PHE A 52 -2.547 8.073 5.975 1.00 0.00 O ATOM 803 CB PHE A 52 -2.180 7.705 2.751 1.00 0.00 C ATOM 804 CG PHE A 52 -2.342 6.847 1.529 1.00 0.00 C ATOM 805 CD1 PHE A 52 -1.236 6.447 0.797 1.00 0.00 C ATOM 806 CD2 PHE A 52 -3.599 6.443 1.112 1.00 0.00 C ATOM 807 CE1 PHE A 52 -1.381 5.658 -0.328 1.00 0.00 C ATOM 808 CE2 PHE A 52 -3.750 5.652 -0.011 1.00 0.00 C ATOM 809 CZ PHE A 52 -2.640 5.260 -0.733 1.00 0.00 C ATOM 0 H PHE A 52 -3.738 6.182 4.146 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.823 6.429 3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -3.117 8.228 2.945 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.425 8.466 2.553 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -0.249 6.755 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.471 6.749 1.671 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.511 5.353 -0.890 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.736 5.341 -0.324 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.756 4.644 -1.612 1.00 0.00 H new ATOM 819 N PRO A 53 -0.429 8.463 5.314 1.00 0.00 N ATOM 820 CA PRO A 53 -0.123 9.401 6.398 1.00 0.00 C ATOM 821 C PRO A 53 -0.872 10.721 6.251 1.00 0.00 C ATOM 822 O PRO A 53 -1.431 11.014 5.195 1.00 0.00 O ATOM 823 CB PRO A 53 1.385 9.624 6.259 1.00 0.00 C ATOM 824 CG PRO A 53 1.679 9.343 4.825 1.00 0.00 C ATOM 825 CD PRO A 53 0.716 8.265 4.409 1.00 0.00 C ATOM 0 HA PRO A 53 -0.422 9.011 7.371 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.661 10.644 6.527 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.946 8.959 6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 53 1.549 10.238 4.217 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.711 9.016 4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.425 8.368 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.151 7.272 4.522 1.00 0.00 H new ATOM 833 N ASP A 54 -0.879 11.513 7.318 1.00 0.00 N ATOM 834 CA ASP A 54 -1.559 12.803 7.307 1.00 0.00 C ATOM 835 C ASP A 54 -0.553 13.948 7.367 1.00 0.00 C ATOM 836 O ASP A 54 0.296 13.998 8.257 1.00 0.00 O ATOM 837 CB ASP A 54 -2.531 12.901 8.484 1.00 0.00 C ATOM 838 CG ASP A 54 -3.677 13.854 8.210 1.00 0.00 C ATOM 839 OD1 ASP A 54 -3.410 14.995 7.779 1.00 0.00 O ATOM 840 OD2 ASP A 54 -4.843 13.459 8.428 1.00 0.00 O ATOM 0 H ASP A 54 -0.422 11.284 8.201 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.119 12.883 6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.930 11.911 8.705 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.991 13.232 9.371 1.00 0.00 H new ATOM 845 N LYS A 55 -0.652 14.866 6.411 1.00 0.00 N ATOM 846 CA LYS A 55 0.249 16.011 6.353 1.00 0.00 C ATOM 847 C LYS A 55 0.142 16.852 7.621 1.00 0.00 C ATOM 848 O LYS A 55 1.146 17.344 8.138 1.00 0.00 O ATOM 849 CB LYS A 55 -0.067 16.873 5.128 1.00 0.00 C ATOM 850 CG LYS A 55 -0.513 16.070 3.919 1.00 0.00 C ATOM 851 CD LYS A 55 -0.287 16.836 2.627 1.00 0.00 C ATOM 852 CE LYS A 55 -0.024 15.896 1.460 1.00 0.00 C ATOM 853 NZ LYS A 55 -1.288 15.376 0.870 1.00 0.00 N ATOM 0 H LYS A 55 -1.348 14.839 5.666 1.00 0.00 H new ATOM 0 HA LYS A 55 1.269 15.636 6.272 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.849 17.587 5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.818 17.452 4.863 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.034 15.128 3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.570 15.822 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.160 17.451 2.410 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.558 17.513 2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.546 16.420 0.693 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.589 15.061 1.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.065 14.740 0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.820 14.854 1.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.863 16.171 0.524 1.00 0.00 H new ATOM 867 N ASP A 56 -1.080 17.013 8.117 1.00 0.00 N ATOM 868 CA ASP A 56 -1.317 17.792 9.326 1.00 0.00 C ATOM 869 C ASP A 56 -0.438 17.301 10.472 1.00 0.00 C ATOM 870 O ASP A 56 0.153 18.099 11.200 1.00 0.00 O ATOM 871 CB ASP A 56 -2.791 17.713 9.729 1.00 0.00 C ATOM 872 CG ASP A 56 -3.663 18.652 8.920 1.00 0.00 C ATOM 873 OD1 ASP A 56 -3.634 19.870 9.191 1.00 0.00 O ATOM 874 OD2 ASP A 56 -4.377 18.169 8.016 1.00 0.00 O ATOM 0 H ASP A 56 -1.921 16.614 7.700 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.060 18.830 9.114 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.146 16.690 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.889 17.953 10.788 1.00 0.00 H new ATOM 879 N ASP A 57 -0.356 15.984 10.624 1.00 0.00 N ATOM 880 CA ASP A 57 0.452 15.386 11.682 1.00 0.00 C ATOM 881 C ASP A 57 1.866 15.958 11.674 1.00 0.00 C ATOM 882 O ASP A 57 2.307 16.562 12.652 1.00 0.00 O ATOM 883 CB ASP A 57 0.502 13.866 11.516 1.00 0.00 C ATOM 884 CG ASP A 57 0.654 13.145 12.841 1.00 0.00 C ATOM 885 OD1 ASP A 57 1.801 13.013 13.318 1.00 0.00 O ATOM 886 OD2 ASP A 57 -0.376 12.712 13.401 1.00 0.00 O ATOM 0 H ASP A 57 -0.838 15.310 10.029 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.011 15.624 12.639 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.409 13.527 11.023 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.334 13.602 10.864 1.00 0.00 H new ATOM 891 N GLY A 58 2.573 15.764 10.565 1.00 0.00 N ATOM 892 CA GLY A 58 3.929 16.265 10.452 1.00 0.00 C ATOM 893 C GLY A 58 4.959 15.269 10.951 1.00 0.00 C ATOM 894 O GLY A 58 5.600 14.581 10.159 1.00 0.00 O ATOM 0 H GLY A 58 2.230 15.268 9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.138 16.508 9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.019 17.191 11.019 1.00 0.00 H new ATOM 898 N ASN A 59 5.118 15.195 12.268 1.00 0.00 N ATOM 899 CA ASN A 59 6.078 14.278 12.871 1.00 0.00 C ATOM 900 C ASN A 59 6.161 12.978 12.077 1.00 0.00 C ATOM 901 O ASN A 59 7.232 12.383 11.954 1.00 0.00 O ATOM 902 CB ASN A 59 5.690 13.980 14.321 1.00 0.00 C ATOM 903 CG ASN A 59 5.897 15.175 15.232 1.00 0.00 C ATOM 904 OD1 ASN A 59 4.939 15.738 15.762 1.00 0.00 O ATOM 905 ND2 ASN A 59 7.152 15.566 15.419 1.00 0.00 N ATOM 0 H ASN A 59 4.595 15.759 12.938 1.00 0.00 H new ATOM 0 HA ASN A 59 7.058 14.756 12.856 1.00 0.00 H new ATOM 0 HB2 ASN A 59 4.644 13.674 14.359 1.00 0.00 H new ATOM 0 HB3 ASN A 59 6.281 13.141 14.687 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.353 16.363 16.023 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.915 15.069 14.959 1.00 0.00 H new ATOM 912 N GLN A 60 5.025 12.544 11.541 1.00 0.00 N ATOM 913 CA GLN A 60 4.970 11.315 10.760 1.00 0.00 C ATOM 914 C GLN A 60 5.310 11.584 9.297 1.00 0.00 C ATOM 915 O GLN A 60 5.086 12.674 8.772 1.00 0.00 O ATOM 916 CB GLN A 60 3.583 10.681 10.865 1.00 0.00 C ATOM 917 CG GLN A 60 3.174 10.344 12.289 1.00 0.00 C ATOM 918 CD GLN A 60 1.774 9.768 12.374 1.00 0.00 C ATOM 919 OE1 GLN A 60 0.817 10.441 11.746 1.00 0.00 O flip ATOM 920 NE2 GLN A 60 1.554 8.728 12.998 1.00 0.00 N flip ATOM 0 H GLN A 60 4.131 13.025 11.634 1.00 0.00 H new ATOM 0 HA GLN A 60 5.709 10.624 11.165 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.848 11.362 10.436 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.562 9.771 10.265 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.883 9.629 12.707 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.230 11.244 12.902 1.00 0.00 H new ATOM 0 HE21 GLN A 60 2.319 8.243 13.466 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.607 8.353 13.046 1.00 0.00 H new ATOM 929 N PRO A 61 5.866 10.566 8.622 1.00 0.00 N ATOM 930 CA PRO A 61 6.248 10.669 7.211 1.00 0.00 C ATOM 931 C PRO A 61 5.039 10.751 6.286 1.00 0.00 C ATOM 932 O PRO A 61 4.076 10.002 6.444 1.00 0.00 O ATOM 933 CB PRO A 61 7.028 9.375 6.959 1.00 0.00 C ATOM 934 CG PRO A 61 6.505 8.416 7.972 1.00 0.00 C ATOM 935 CD PRO A 61 6.163 9.238 9.184 1.00 0.00 C ATOM 0 HA PRO A 61 6.820 11.574 7.010 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.868 9.007 5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.101 9.530 7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.627 7.892 7.596 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.250 7.658 8.213 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.307 8.828 9.720 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.992 9.277 9.890 1.00 0.00 H new ATOM 943 N GLN A 62 5.097 11.664 5.322 1.00 0.00 N ATOM 944 CA GLN A 62 4.005 11.842 4.374 1.00 0.00 C ATOM 945 C GLN A 62 4.254 11.041 3.099 1.00 0.00 C ATOM 946 O GLN A 62 3.330 10.773 2.333 1.00 0.00 O ATOM 947 CB GLN A 62 3.834 13.324 4.033 1.00 0.00 C ATOM 948 CG GLN A 62 3.665 14.213 5.254 1.00 0.00 C ATOM 949 CD GLN A 62 2.669 13.653 6.250 1.00 0.00 C ATOM 950 OE1 GLN A 62 1.563 13.255 5.883 1.00 0.00 O ATOM 951 NE2 GLN A 62 3.057 13.619 7.520 1.00 0.00 N ATOM 0 H GLN A 62 5.888 12.291 5.177 1.00 0.00 H new ATOM 0 HA GLN A 62 3.090 11.475 4.840 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.702 13.660 3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.965 13.441 3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.631 14.339 5.743 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.337 15.203 4.936 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.983 13.959 7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.429 13.252 8.235 1.00 0.00 H new ATOM 960 N ASP A 63 5.509 10.663 2.881 1.00 0.00 N ATOM 961 CA ASP A 63 5.879 9.892 1.701 1.00 0.00 C ATOM 962 C ASP A 63 5.849 8.396 1.997 1.00 0.00 C ATOM 963 O ASP A 63 5.899 7.572 1.083 1.00 0.00 O ATOM 964 CB ASP A 63 7.272 10.299 1.215 1.00 0.00 C ATOM 965 CG ASP A 63 8.379 9.622 1.999 1.00 0.00 C ATOM 966 OD1 ASP A 63 8.431 9.806 3.233 1.00 0.00 O ATOM 967 OD2 ASP A 63 9.193 8.906 1.378 1.00 0.00 O ATOM 0 H ASP A 63 6.286 10.878 3.506 1.00 0.00 H new ATOM 0 HA ASP A 63 5.152 10.104 0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.373 10.048 0.159 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.381 11.380 1.298 1.00 0.00 H new ATOM 972 N GLN A 64 5.766 8.053 3.278 1.00 0.00 N ATOM 973 CA GLN A 64 5.729 6.655 3.694 1.00 0.00 C ATOM 974 C GLN A 64 4.292 6.157 3.803 1.00 0.00 C ATOM 975 O GLN A 64 3.424 6.847 4.339 1.00 0.00 O ATOM 976 CB GLN A 64 6.444 6.482 5.035 1.00 0.00 C ATOM 977 CG GLN A 64 7.944 6.716 4.959 1.00 0.00 C ATOM 978 CD GLN A 64 8.710 5.469 4.564 1.00 0.00 C ATOM 979 OE1 GLN A 64 8.769 5.196 3.266 1.00 0.00 O flip ATOM 980 NE2 GLN A 64 9.244 4.758 5.416 1.00 0.00 N flip ATOM 0 H GLN A 64 5.723 8.723 4.046 1.00 0.00 H new ATOM 0 HA GLN A 64 6.243 6.063 2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.013 7.173 5.759 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.260 5.474 5.408 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.148 7.507 4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.303 7.067 5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.174 5.005 6.403 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.756 3.922 5.134 1.00 0.00 H new ATOM 989 N ILE A 65 4.048 4.956 3.289 1.00 0.00 N ATOM 990 CA ILE A 65 2.715 4.365 3.330 1.00 0.00 C ATOM 991 C ILE A 65 2.691 3.124 4.216 1.00 0.00 C ATOM 992 O ILE A 65 3.507 2.216 4.054 1.00 0.00 O ATOM 993 CB ILE A 65 2.225 3.986 1.920 1.00 0.00 C ATOM 994 CG1 ILE A 65 2.775 4.969 0.884 1.00 0.00 C ATOM 995 CG2 ILE A 65 0.704 3.961 1.878 1.00 0.00 C ATOM 996 CD1 ILE A 65 2.523 4.542 -0.545 1.00 0.00 C ATOM 0 H ILE A 65 4.755 4.374 2.840 1.00 0.00 H new ATOM 0 HA ILE A 65 2.047 5.119 3.748 1.00 0.00 H new ATOM 0 HB ILE A 65 2.593 2.989 1.679 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.324 5.948 1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.848 5.083 1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.372 3.692 0.875 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.332 3.227 2.593 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.317 4.947 2.136 1.00 0.00 H new ATOM 0 HD11 ILE A 65 2.939 5.285 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.998 3.578 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.450 4.455 -0.715 1.00 0.00 H new ATOM 1008 N THR A 66 1.748 3.090 5.152 1.00 0.00 N ATOM 1009 CA THR A 66 1.616 1.961 6.063 1.00 0.00 C ATOM 1010 C THR A 66 0.639 0.926 5.519 1.00 0.00 C ATOM 1011 O THR A 66 -0.502 1.250 5.186 1.00 0.00 O ATOM 1012 CB THR A 66 1.141 2.415 7.457 1.00 0.00 C ATOM 1013 OG1 THR A 66 1.613 3.739 7.727 1.00 0.00 O ATOM 1014 CG2 THR A 66 1.639 1.463 8.534 1.00 0.00 C ATOM 0 H THR A 66 1.064 3.832 5.299 1.00 0.00 H new ATOM 0 HA THR A 66 2.605 1.511 6.153 1.00 0.00 H new ATOM 0 HB THR A 66 0.051 2.410 7.466 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.306 4.021 8.614 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.292 1.803 9.509 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.254 0.462 8.341 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.729 1.441 8.524 1.00 0.00 H new ATOM 1022 N ILE A 67 1.092 -0.321 5.428 1.00 0.00 N ATOM 1023 CA ILE A 67 0.255 -1.402 4.925 1.00 0.00 C ATOM 1024 C ILE A 67 0.336 -2.627 5.831 1.00 0.00 C ATOM 1025 O ILE A 67 1.413 -3.183 6.048 1.00 0.00 O ATOM 1026 CB ILE A 67 0.660 -1.808 3.495 1.00 0.00 C ATOM 1027 CG1 ILE A 67 0.648 -0.588 2.572 1.00 0.00 C ATOM 1028 CG2 ILE A 67 -0.272 -2.888 2.967 1.00 0.00 C ATOM 1029 CD1 ILE A 67 1.200 -0.869 1.193 1.00 0.00 C ATOM 0 H ILE A 67 2.034 -0.606 5.696 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.769 -1.029 4.912 1.00 0.00 H new ATOM 0 HB ILE A 67 1.673 -2.210 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.375 -0.224 2.478 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.230 0.211 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.027 -3.164 1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.217 -3.764 3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.295 -2.511 2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.161 0.040 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.234 -1.204 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.604 -1.646 0.714 1.00 0.00 H new ATOM 1041 N THR A 68 -0.813 -3.042 6.357 1.00 0.00 N ATOM 1042 CA THR A 68 -0.872 -4.201 7.240 1.00 0.00 C ATOM 1043 C THR A 68 -1.418 -5.422 6.507 1.00 0.00 C ATOM 1044 O THR A 68 -2.225 -5.297 5.588 1.00 0.00 O ATOM 1045 CB THR A 68 -1.751 -3.922 8.473 1.00 0.00 C ATOM 1046 OG1 THR A 68 -1.425 -2.643 9.029 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.561 -5.001 9.529 1.00 0.00 C ATOM 0 H THR A 68 -1.713 -2.594 6.187 1.00 0.00 H new ATOM 0 HA THR A 68 0.148 -4.402 7.568 1.00 0.00 H new ATOM 0 HB THR A 68 -2.794 -3.925 8.155 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.990 -2.473 9.812 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.192 -4.782 10.390 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.838 -5.970 9.113 1.00 0.00 H new ATOM 0 HG23 THR A 68 -0.517 -5.025 9.841 1.00 0.00 H new ATOM 1055 N GLY A 69 -0.970 -6.603 6.921 1.00 0.00 N ATOM 1056 CA GLY A 69 -1.425 -7.830 6.294 1.00 0.00 C ATOM 1057 C GLY A 69 -0.307 -8.840 6.118 1.00 0.00 C ATOM 1058 O GLY A 69 0.824 -8.606 6.544 1.00 0.00 O ATOM 0 H GLY A 69 -0.300 -6.732 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.217 -8.271 6.899 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.858 -7.598 5.321 1.00 0.00 H new ATOM 1062 N TYR A 70 -0.624 -9.966 5.489 1.00 0.00 N ATOM 1063 CA TYR A 70 0.360 -11.018 5.261 1.00 0.00 C ATOM 1064 C TYR A 70 1.555 -10.484 4.477 1.00 0.00 C ATOM 1065 O TYR A 70 1.410 -10.012 3.350 1.00 0.00 O ATOM 1066 CB TYR A 70 -0.276 -12.187 4.510 1.00 0.00 C ATOM 1067 CG TYR A 70 -1.133 -13.075 5.384 1.00 0.00 C ATOM 1068 CD1 TYR A 70 -2.453 -12.740 5.665 1.00 0.00 C ATOM 1069 CD2 TYR A 70 -0.624 -14.246 5.931 1.00 0.00 C ATOM 1070 CE1 TYR A 70 -3.240 -13.546 6.464 1.00 0.00 C ATOM 1071 CE2 TYR A 70 -1.404 -15.058 6.730 1.00 0.00 C ATOM 1072 CZ TYR A 70 -2.711 -14.705 6.993 1.00 0.00 C ATOM 1073 OH TYR A 70 -3.491 -15.512 7.790 1.00 0.00 O ATOM 0 H TYR A 70 -1.555 -10.174 5.128 1.00 0.00 H new ATOM 0 HA TYR A 70 0.712 -11.368 6.231 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.886 -11.796 3.696 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.512 -12.789 4.057 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.870 -11.834 5.251 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.399 -14.526 5.728 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.263 -13.271 6.673 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -0.993 -15.965 7.147 1.00 0.00 H new ATOM 0 HH TYR A 70 -2.968 -16.289 8.080 1.00 0.00 H new ATOM 1083 N GLU A 71 2.736 -10.564 5.082 1.00 0.00 N ATOM 1084 CA GLU A 71 3.956 -10.088 4.440 1.00 0.00 C ATOM 1085 C GLU A 71 3.917 -10.347 2.937 1.00 0.00 C ATOM 1086 O GLU A 71 4.464 -9.577 2.148 1.00 0.00 O ATOM 1087 CB GLU A 71 5.180 -10.771 5.054 1.00 0.00 C ATOM 1088 CG GLU A 71 6.483 -10.437 4.346 1.00 0.00 C ATOM 1089 CD GLU A 71 7.701 -10.935 5.099 1.00 0.00 C ATOM 1090 OE1 GLU A 71 7.670 -10.931 6.347 1.00 0.00 O ATOM 1091 OE2 GLU A 71 8.685 -11.331 4.439 1.00 0.00 O ATOM 0 H GLU A 71 2.874 -10.953 6.015 1.00 0.00 H new ATOM 0 HA GLU A 71 4.027 -9.013 4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.261 -10.480 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.032 -11.851 5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.473 -10.876 3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.556 -9.357 4.218 1.00 0.00 H new ATOM 1098 N LYS A 72 3.265 -11.438 2.547 1.00 0.00 N ATOM 1099 CA LYS A 72 3.152 -11.800 1.140 1.00 0.00 C ATOM 1100 C LYS A 72 2.181 -10.872 0.416 1.00 0.00 C ATOM 1101 O LYS A 72 2.572 -10.125 -0.480 1.00 0.00 O ATOM 1102 CB LYS A 72 2.687 -13.251 1.001 1.00 0.00 C ATOM 1103 CG LYS A 72 3.782 -14.269 1.269 1.00 0.00 C ATOM 1104 CD LYS A 72 4.848 -14.240 0.187 1.00 0.00 C ATOM 1105 CE LYS A 72 5.710 -15.493 0.219 1.00 0.00 C ATOM 1106 NZ LYS A 72 6.748 -15.425 1.285 1.00 0.00 N ATOM 0 H LYS A 72 2.807 -12.087 3.187 1.00 0.00 H new ATOM 0 HA LYS A 72 4.136 -11.695 0.683 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.862 -13.427 1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.298 -13.404 -0.006 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.240 -14.066 2.237 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.347 -15.267 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.374 -14.148 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.478 -13.360 0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.077 -16.365 0.383 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.192 -15.627 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.314 -16.297 1.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.368 -14.608 1.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.288 -15.323 2.212 1.00 0.00 H new ATOM 1120 N ASN A 73 0.913 -10.926 0.811 1.00 0.00 N ATOM 1121 CA ASN A 73 -0.115 -10.090 0.200 1.00 0.00 C ATOM 1122 C ASN A 73 0.308 -8.624 0.197 1.00 0.00 C ATOM 1123 O ASN A 73 0.345 -7.978 -0.851 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.441 -10.248 0.946 1.00 0.00 C ATOM 1125 CG ASN A 73 -2.072 -11.609 0.721 1.00 0.00 C ATOM 1126 OD1 ASN A 73 -1.434 -12.521 0.194 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -3.331 -11.750 1.119 1.00 0.00 N ATOM 0 H ASN A 73 0.572 -11.540 1.551 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.246 -10.415 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.275 -10.100 2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.133 -9.471 0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.809 -12.642 0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.820 -10.966 1.551 1.00 0.00 H new ATOM 1134 N THR A 74 0.628 -8.104 1.378 1.00 0.00 N ATOM 1135 CA THR A 74 1.047 -6.715 1.512 1.00 0.00 C ATOM 1136 C THR A 74 1.998 -6.316 0.389 1.00 0.00 C ATOM 1137 O THR A 74 1.798 -5.297 -0.273 1.00 0.00 O ATOM 1138 CB THR A 74 1.740 -6.465 2.866 1.00 0.00 C ATOM 1139 OG1 THR A 74 2.791 -7.416 3.062 1.00 0.00 O ATOM 1140 CG2 THR A 74 0.741 -6.564 4.010 1.00 0.00 C ATOM 0 H THR A 74 0.605 -8.624 2.255 1.00 0.00 H new ATOM 0 HA THR A 74 0.144 -6.107 1.455 1.00 0.00 H new ATOM 0 HB THR A 74 2.159 -5.459 2.854 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.064 -7.412 4.003 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.252 -6.384 4.956 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.043 -5.819 3.874 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.298 -7.560 4.021 1.00 0.00 H new ATOM 1148 N GLU A 75 3.030 -7.125 0.177 1.00 0.00 N ATOM 1149 CA GLU A 75 4.011 -6.855 -0.868 1.00 0.00 C ATOM 1150 C GLU A 75 3.344 -6.804 -2.240 1.00 0.00 C ATOM 1151 O GLU A 75 3.706 -5.989 -3.088 1.00 0.00 O ATOM 1152 CB GLU A 75 5.105 -7.925 -0.861 1.00 0.00 C ATOM 1153 CG GLU A 75 6.089 -7.780 0.288 1.00 0.00 C ATOM 1154 CD GLU A 75 7.178 -6.766 -0.001 1.00 0.00 C ATOM 1155 OE1 GLU A 75 6.887 -5.553 0.050 1.00 0.00 O ATOM 1156 OE2 GLU A 75 8.322 -7.185 -0.278 1.00 0.00 O ATOM 0 H GLU A 75 3.209 -7.973 0.715 1.00 0.00 H new ATOM 0 HA GLU A 75 4.462 -5.883 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.639 -8.909 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.651 -7.881 -1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.550 -7.482 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.545 -8.748 0.495 1.00 0.00 H new ATOM 1163 N ALA A 76 2.367 -7.681 -2.449 1.00 0.00 N ATOM 1164 CA ALA A 76 1.648 -7.735 -3.716 1.00 0.00 C ATOM 1165 C ALA A 76 0.831 -6.467 -3.939 1.00 0.00 C ATOM 1166 O ALA A 76 0.640 -6.033 -5.074 1.00 0.00 O ATOM 1167 CB ALA A 76 0.747 -8.961 -3.760 1.00 0.00 C ATOM 0 H ALA A 76 2.056 -8.363 -1.758 1.00 0.00 H new ATOM 0 HA ALA A 76 2.382 -7.808 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.216 -8.989 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.352 -9.861 -3.656 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.026 -8.912 -2.944 1.00 0.00 H new ATOM 1173 N ALA A 77 0.351 -5.879 -2.848 1.00 0.00 N ATOM 1174 CA ALA A 77 -0.443 -4.659 -2.925 1.00 0.00 C ATOM 1175 C ALA A 77 0.448 -3.421 -2.924 1.00 0.00 C ATOM 1176 O ALA A 77 0.102 -2.395 -3.510 1.00 0.00 O ATOM 1177 CB ALA A 77 -1.432 -4.600 -1.770 1.00 0.00 C ATOM 0 H ALA A 77 0.498 -6.228 -1.901 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.996 -4.675 -3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.018 -3.684 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.098 -5.462 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.889 -4.612 -0.825 1.00 0.00 H new ATOM 1183 N ARG A 78 1.595 -3.526 -2.261 1.00 0.00 N ATOM 1184 CA ARG A 78 2.535 -2.413 -2.182 1.00 0.00 C ATOM 1185 C ARG A 78 3.214 -2.178 -3.529 1.00 0.00 C ATOM 1186 O ARG A 78 3.686 -1.078 -3.813 1.00 0.00 O ATOM 1187 CB ARG A 78 3.590 -2.684 -1.108 1.00 0.00 C ATOM 1188 CG ARG A 78 4.818 -3.413 -1.629 1.00 0.00 C ATOM 1189 CD ARG A 78 5.882 -2.438 -2.108 1.00 0.00 C ATOM 1190 NE ARG A 78 6.736 -3.023 -3.139 1.00 0.00 N ATOM 1191 CZ ARG A 78 7.972 -2.610 -3.390 1.00 0.00 C ATOM 1192 NH1 ARG A 78 8.498 -1.615 -2.690 1.00 0.00 N ATOM 1193 NH2 ARG A 78 8.687 -3.193 -4.345 1.00 0.00 N ATOM 0 H ARG A 78 1.896 -4.369 -1.771 1.00 0.00 H new ATOM 0 HA ARG A 78 1.976 -1.516 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.900 -1.736 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.140 -3.274 -0.309 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.229 -4.044 -0.841 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.531 -4.072 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.402 -1.542 -2.501 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.496 -2.127 -1.263 1.00 0.00 H new ATOM 0 HE ARG A 78 6.362 -3.791 -3.696 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.953 -1.164 -1.956 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.448 -1.300 -2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.286 -3.959 -4.886 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.637 -2.875 -4.537 1.00 0.00 H new ATOM 1207 N ASP A 79 3.259 -3.220 -4.352 1.00 0.00 N ATOM 1208 CA ASP A 79 3.879 -3.128 -5.668 1.00 0.00 C ATOM 1209 C ASP A 79 3.059 -2.235 -6.595 1.00 0.00 C ATOM 1210 O ASP A 79 3.605 -1.558 -7.464 1.00 0.00 O ATOM 1211 CB ASP A 79 4.030 -4.520 -6.284 1.00 0.00 C ATOM 1212 CG ASP A 79 4.860 -4.505 -7.552 1.00 0.00 C ATOM 1213 OD1 ASP A 79 4.514 -3.743 -8.479 1.00 0.00 O ATOM 1214 OD2 ASP A 79 5.855 -5.257 -7.619 1.00 0.00 O ATOM 0 H ASP A 79 2.873 -4.138 -4.131 1.00 0.00 H new ATOM 0 HA ASP A 79 4.867 -2.684 -5.545 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.494 -5.187 -5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.043 -4.926 -6.504 1.00 0.00 H new ATOM 1219 N ALA A 80 1.744 -2.241 -6.402 1.00 0.00 N ATOM 1220 CA ALA A 80 0.848 -1.432 -7.219 1.00 0.00 C ATOM 1221 C ALA A 80 1.078 0.056 -6.978 1.00 0.00 C ATOM 1222 O ALA A 80 1.352 0.810 -7.912 1.00 0.00 O ATOM 1223 CB ALA A 80 -0.601 -1.797 -6.932 1.00 0.00 C ATOM 0 H ALA A 80 1.276 -2.797 -5.687 1.00 0.00 H new ATOM 0 HA ALA A 80 1.064 -1.641 -8.267 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.259 -1.185 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.763 -2.850 -7.162 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.820 -1.617 -5.879 1.00 0.00 H new ATOM 1229 N ILE A 81 0.967 0.471 -5.721 1.00 0.00 N ATOM 1230 CA ILE A 81 1.164 1.868 -5.358 1.00 0.00 C ATOM 1231 C ILE A 81 2.329 2.478 -6.129 1.00 0.00 C ATOM 1232 O ILE A 81 2.278 3.638 -6.540 1.00 0.00 O ATOM 1233 CB ILE A 81 1.424 2.027 -3.847 1.00 0.00 C ATOM 1234 CG1 ILE A 81 0.241 1.484 -3.044 1.00 0.00 C ATOM 1235 CG2 ILE A 81 1.680 3.487 -3.505 1.00 0.00 C ATOM 1236 CD1 ILE A 81 0.535 1.321 -1.570 1.00 0.00 C ATOM 0 H ILE A 81 0.742 -0.141 -4.937 1.00 0.00 H new ATOM 0 HA ILE A 81 0.245 2.393 -5.618 1.00 0.00 H new ATOM 0 HB ILE A 81 2.311 1.452 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.609 2.156 -3.165 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.055 0.519 -3.456 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.862 3.583 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.552 3.842 -4.055 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.810 4.083 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.348 0.932 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.364 0.625 -1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.802 2.288 -1.143 1.00 0.00 H new ATOM 1248 N LEU A 82 3.380 1.688 -6.324 1.00 0.00 N ATOM 1249 CA LEU A 82 4.559 2.148 -7.050 1.00 0.00 C ATOM 1250 C LEU A 82 4.326 2.100 -8.556 1.00 0.00 C ATOM 1251 O LEU A 82 4.575 3.075 -9.265 1.00 0.00 O ATOM 1252 CB LEU A 82 5.774 1.294 -6.682 1.00 0.00 C ATOM 1253 CG LEU A 82 6.028 1.096 -5.188 1.00 0.00 C ATOM 1254 CD1 LEU A 82 7.096 0.037 -4.963 1.00 0.00 C ATOM 1255 CD2 LEU A 82 6.433 2.411 -4.537 1.00 0.00 C ATOM 0 H LEU A 82 3.440 0.726 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 82 4.750 3.183 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.657 0.313 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 82 6.660 1.750 -7.123 1.00 0.00 H new ATOM 0 HG LEU A 82 5.103 0.753 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.263 -0.090 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.767 -0.909 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.025 0.350 -5.441 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.610 2.251 -3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.345 2.783 -5.005 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.635 3.142 -4.666 1.00 0.00 H new ATOM 1267 N ARG A 83 3.844 0.958 -9.038 1.00 0.00 N ATOM 1268 CA ARG A 83 3.575 0.783 -10.461 1.00 0.00 C ATOM 1269 C ARG A 83 2.905 2.023 -11.045 1.00 0.00 C ATOM 1270 O ARG A 83 3.292 2.506 -12.109 1.00 0.00 O ATOM 1271 CB ARG A 83 2.689 -0.443 -10.686 1.00 0.00 C ATOM 1272 CG ARG A 83 2.921 -1.124 -12.026 1.00 0.00 C ATOM 1273 CD ARG A 83 2.635 -2.616 -11.948 1.00 0.00 C ATOM 1274 NE ARG A 83 3.823 -3.382 -11.580 1.00 0.00 N ATOM 1275 CZ ARG A 83 4.825 -3.632 -12.415 1.00 0.00 C ATOM 1276 NH1 ARG A 83 4.784 -3.178 -13.660 1.00 0.00 N ATOM 1277 NH2 ARG A 83 5.872 -4.336 -12.004 1.00 0.00 N ATOM 0 H ARG A 83 3.632 0.141 -8.465 1.00 0.00 H new ATOM 0 HA ARG A 83 4.527 0.633 -10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.868 -1.162 -9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.643 -0.143 -10.616 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.282 -0.669 -12.783 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.952 -0.966 -12.342 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.847 -2.796 -11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.263 -2.965 -12.911 1.00 0.00 H new ATOM 0 HE ARG A 83 3.887 -3.745 -10.629 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.981 -2.635 -13.979 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.555 -3.372 -14.299 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.907 -4.685 -11.046 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.641 -4.528 -12.646 1.00 0.00 H new ATOM 1291 N ILE A 84 1.899 2.532 -10.342 1.00 0.00 N ATOM 1292 CA ILE A 84 1.176 3.715 -10.790 1.00 0.00 C ATOM 1293 C ILE A 84 2.090 4.934 -10.834 1.00 0.00 C ATOM 1294 O ILE A 84 2.277 5.546 -11.886 1.00 0.00 O ATOM 1295 CB ILE A 84 -0.025 4.021 -9.875 1.00 0.00 C ATOM 1296 CG1 ILE A 84 -0.941 2.800 -9.775 1.00 0.00 C ATOM 1297 CG2 ILE A 84 -0.794 5.225 -10.398 1.00 0.00 C ATOM 1298 CD1 ILE A 84 -1.707 2.724 -8.472 1.00 0.00 C ATOM 0 H ILE A 84 1.566 2.143 -9.460 1.00 0.00 H new ATOM 0 HA ILE A 84 0.812 3.500 -11.795 1.00 0.00 H new ATOM 0 HB ILE A 84 0.346 4.256 -8.877 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.650 2.819 -10.603 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.342 1.896 -9.888 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.640 5.430 -9.742 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.136 6.094 -10.424 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.158 5.015 -11.404 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.336 1.834 -8.471 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.005 2.674 -7.640 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.333 3.610 -8.366 1.00 0.00 H new ATOM 1310 N VAL A 85 2.661 5.282 -9.685 1.00 0.00 N ATOM 1311 CA VAL A 85 3.560 6.426 -9.592 1.00 0.00 C ATOM 1312 C VAL A 85 4.371 6.593 -10.872 1.00 0.00 C ATOM 1313 O VAL A 85 4.332 7.643 -11.512 1.00 0.00 O ATOM 1314 CB VAL A 85 4.524 6.287 -8.400 1.00 0.00 C ATOM 1315 CG1 VAL A 85 5.583 7.379 -8.438 1.00 0.00 C ATOM 1316 CG2 VAL A 85 3.757 6.322 -7.087 1.00 0.00 C ATOM 0 H VAL A 85 2.517 4.787 -8.805 1.00 0.00 H new ATOM 0 HA VAL A 85 2.936 7.307 -9.443 1.00 0.00 H new ATOM 0 HB VAL A 85 5.028 5.323 -8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.255 7.264 -7.587 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.153 7.301 -9.364 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.101 8.355 -8.390 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.455 6.222 -6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.224 7.269 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.042 5.500 -7.061 1.00 0.00 H new ATOM 1326 N GLY A 86 5.106 5.548 -11.240 1.00 0.00 N ATOM 1327 CA GLY A 86 5.917 5.599 -12.444 1.00 0.00 C ATOM 1328 C GLY A 86 5.186 6.235 -13.609 1.00 0.00 C ATOM 1329 O GLY A 86 5.748 7.063 -14.325 1.00 0.00 O ATOM 0 H GLY A 86 5.155 4.668 -10.727 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.829 6.161 -12.241 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.220 4.588 -12.717 1.00 0.00 H new ATOM 1333 N GLU A 87 3.928 5.846 -13.800 1.00 0.00 N ATOM 1334 CA GLU A 87 3.121 6.384 -14.889 1.00 0.00 C ATOM 1335 C GLU A 87 2.763 7.844 -14.632 1.00 0.00 C ATOM 1336 O GLU A 87 3.047 8.719 -15.450 1.00 0.00 O ATOM 1337 CB GLU A 87 1.846 5.556 -15.064 1.00 0.00 C ATOM 1338 CG GLU A 87 2.002 4.102 -14.651 1.00 0.00 C ATOM 1339 CD GLU A 87 3.268 3.473 -15.199 1.00 0.00 C ATOM 1340 OE1 GLU A 87 3.309 3.181 -16.412 1.00 0.00 O ATOM 1341 OE2 GLU A 87 4.219 3.273 -14.413 1.00 0.00 O ATOM 0 H GLU A 87 3.447 5.162 -13.216 1.00 0.00 H new ATOM 0 HA GLU A 87 3.709 6.330 -15.805 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.046 6.008 -14.477 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.537 5.597 -16.108 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.009 4.036 -13.563 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.139 3.535 -14.999 1.00 0.00 H new ATOM 1348 N LEU A 88 2.135 8.100 -13.489 1.00 0.00 N ATOM 1349 CA LEU A 88 1.736 9.454 -13.122 1.00 0.00 C ATOM 1350 C LEU A 88 2.809 10.463 -13.516 1.00 0.00 C ATOM 1351 O LEU A 88 2.501 11.594 -13.892 1.00 0.00 O ATOM 1352 CB LEU A 88 1.467 9.538 -11.619 1.00 0.00 C ATOM 1353 CG LEU A 88 0.573 8.444 -11.034 1.00 0.00 C ATOM 1354 CD1 LEU A 88 0.419 8.625 -9.532 1.00 0.00 C ATOM 1355 CD2 LEU A 88 -0.788 8.446 -11.715 1.00 0.00 C ATOM 0 H LEU A 88 1.891 7.388 -12.801 1.00 0.00 H new ATOM 0 HA LEU A 88 0.821 9.696 -13.662 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.424 9.515 -11.097 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.011 10.505 -11.405 1.00 0.00 H new ATOM 0 HG LEU A 88 1.047 7.480 -11.216 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.221 7.837 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.399 8.572 -9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.032 9.596 -9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.411 7.661 -11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.268 9.413 -11.565 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.661 8.266 -12.782 1.00 0.00 H new