USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 398 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 31 THR OG1 : rot -80:sc= 0.892 USER MOD Set 1.2: A 32 ASN : amide:sc= -2.31! X(o=-1.4!,f=-1.4) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot -50:sc= -1.39 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= 0.146 (180deg=0.108) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= -0.127 (180deg=-1.08) USER MOD Single : A 30 SER OG : rot -24:sc= 0.566 USER MOD Single : A 36 SER OG : rot -48:sc= 1.23 USER MOD Single : A 42 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.587) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0836) USER MOD Single : A 47 MET CE :methyl -139:sc= -0.956 (180deg=-4.24!) USER MOD Single : A 49 ASN : amide:sc= -0.0537 K(o=-0.054,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= 2.06 (180deg=0.374) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 79:sc= 0.25 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 164 N PRO A 14 -5.126 -2.604 6.968 1.00 0.00 N ATOM 165 CA PRO A 14 -5.201 -1.160 6.729 1.00 0.00 C ATOM 166 C PRO A 14 -6.639 -0.664 6.622 1.00 0.00 C ATOM 167 O PRO A 14 -7.551 -1.436 6.325 1.00 0.00 O ATOM 168 CB PRO A 14 -4.475 -0.984 5.393 1.00 0.00 C ATOM 169 CG PRO A 14 -4.613 -2.301 4.710 1.00 0.00 C ATOM 170 CD PRO A 14 -4.605 -3.335 5.801 1.00 0.00 C ATOM 0 HA PRO A 14 -4.763 -0.588 7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.921 -0.183 4.803 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -3.427 -0.724 5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.538 -2.347 4.135 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.794 -2.466 4.010 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.233 -4.190 5.549 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.601 -3.719 5.983 1.00 0.00 H new ATOM 178 N SER A 15 -6.835 0.627 6.868 1.00 0.00 N ATOM 179 CA SER A 15 -8.163 1.225 6.803 1.00 0.00 C ATOM 180 C SER A 15 -8.326 2.051 5.530 1.00 0.00 C ATOM 181 O SER A 15 -7.344 2.452 4.907 1.00 0.00 O ATOM 182 CB SER A 15 -8.410 2.104 8.030 1.00 0.00 C ATOM 183 OG SER A 15 -8.271 1.359 9.227 1.00 0.00 O ATOM 0 H SER A 15 -6.091 1.279 7.114 1.00 0.00 H new ATOM 0 HA SER A 15 -8.897 0.419 6.788 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.707 2.937 8.032 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.411 2.533 7.979 1.00 0.00 H new ATOM 0 HG SER A 15 -8.432 1.944 9.997 1.00 0.00 H new ATOM 189 N GLY A 16 -9.575 2.302 5.150 1.00 0.00 N ATOM 190 CA GLY A 16 -9.845 3.079 3.955 1.00 0.00 C ATOM 191 C GLY A 16 -8.953 4.299 3.842 1.00 0.00 C ATOM 192 O GLY A 16 -8.628 4.740 2.739 1.00 0.00 O ATOM 0 H GLY A 16 -10.405 1.981 5.649 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.706 2.449 3.077 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.888 3.395 3.959 1.00 0.00 H new ATOM 196 N PHE A 17 -8.557 4.848 4.986 1.00 0.00 N ATOM 197 CA PHE A 17 -7.699 6.027 5.011 1.00 0.00 C ATOM 198 C PHE A 17 -6.267 5.666 4.625 1.00 0.00 C ATOM 199 O PHE A 17 -5.596 6.415 3.915 1.00 0.00 O ATOM 200 CB PHE A 17 -7.719 6.668 6.400 1.00 0.00 C ATOM 201 CG PHE A 17 -6.482 7.462 6.711 1.00 0.00 C ATOM 202 CD1 PHE A 17 -5.995 8.393 5.808 1.00 0.00 C ATOM 203 CD2 PHE A 17 -5.807 7.277 7.907 1.00 0.00 C ATOM 204 CE1 PHE A 17 -4.858 9.126 6.092 1.00 0.00 C ATOM 205 CE2 PHE A 17 -4.669 8.007 8.196 1.00 0.00 C ATOM 206 CZ PHE A 17 -4.193 8.931 7.287 1.00 0.00 C ATOM 0 H PHE A 17 -8.816 4.495 5.907 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.083 6.741 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.589 7.320 6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.838 5.887 7.151 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.510 8.548 4.871 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.174 6.555 8.621 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.490 9.850 5.380 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.153 7.855 9.132 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.303 9.500 7.510 1.00 0.00 H new ATOM 216 N PHE A 18 -5.806 4.514 5.099 1.00 0.00 N ATOM 217 CA PHE A 18 -4.454 4.053 4.806 1.00 0.00 C ATOM 218 C PHE A 18 -4.347 3.560 3.366 1.00 0.00 C ATOM 219 O PHE A 18 -3.545 4.068 2.581 1.00 0.00 O ATOM 220 CB PHE A 18 -4.052 2.935 5.770 1.00 0.00 C ATOM 221 CG PHE A 18 -2.648 2.443 5.567 1.00 0.00 C ATOM 222 CD1 PHE A 18 -2.356 1.541 4.556 1.00 0.00 C ATOM 223 CD2 PHE A 18 -1.620 2.881 6.386 1.00 0.00 C ATOM 224 CE1 PHE A 18 -1.065 1.086 4.365 1.00 0.00 C ATOM 225 CE2 PHE A 18 -0.327 2.430 6.200 1.00 0.00 C ATOM 226 CZ PHE A 18 -0.049 1.531 5.189 1.00 0.00 C ATOM 0 H PHE A 18 -6.349 3.882 5.688 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.775 4.896 4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.158 3.294 6.794 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.742 2.099 5.652 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.147 1.189 3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.832 3.583 7.179 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.851 0.384 3.573 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.466 2.780 6.845 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.961 1.177 5.043 1.00 0.00 H new ATOM 236 N LEU A 19 -5.161 2.568 3.025 1.00 0.00 N ATOM 237 CA LEU A 19 -5.160 2.004 1.679 1.00 0.00 C ATOM 238 C LEU A 19 -4.988 3.099 0.631 1.00 0.00 C ATOM 239 O LEU A 19 -4.354 2.889 -0.403 1.00 0.00 O ATOM 240 CB LEU A 19 -6.458 1.237 1.425 1.00 0.00 C ATOM 241 CG LEU A 19 -6.610 -0.091 2.168 1.00 0.00 C ATOM 242 CD1 LEU A 19 -8.065 -0.535 2.175 1.00 0.00 C ATOM 243 CD2 LEU A 19 -5.728 -1.158 1.538 1.00 0.00 C ATOM 0 H LEU A 19 -5.831 2.137 3.662 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.318 1.316 1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.295 1.880 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -6.538 1.043 0.355 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.291 0.053 3.200 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.154 -1.482 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.673 0.220 2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.412 -0.662 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.849 -2.096 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.017 -1.300 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.686 -0.843 1.586 1.00 0.00 H new ATOM 255 N PHE A 20 -5.557 4.268 0.906 1.00 0.00 N ATOM 256 CA PHE A 20 -5.466 5.397 -0.013 1.00 0.00 C ATOM 257 C PHE A 20 -4.135 6.125 0.150 1.00 0.00 C ATOM 258 O PHE A 20 -3.548 6.593 -0.826 1.00 0.00 O ATOM 259 CB PHE A 20 -6.624 6.369 0.223 1.00 0.00 C ATOM 260 CG PHE A 20 -6.315 7.781 -0.184 1.00 0.00 C ATOM 261 CD1 PHE A 20 -5.578 8.610 0.646 1.00 0.00 C ATOM 262 CD2 PHE A 20 -6.761 8.279 -1.397 1.00 0.00 C ATOM 263 CE1 PHE A 20 -5.291 9.910 0.274 1.00 0.00 C ATOM 264 CE2 PHE A 20 -6.477 9.578 -1.775 1.00 0.00 C ATOM 265 CZ PHE A 20 -5.742 10.395 -0.938 1.00 0.00 C ATOM 0 H PHE A 20 -6.086 4.458 1.757 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.527 5.011 -1.030 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -7.497 6.023 -0.331 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.890 6.354 1.280 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.223 8.236 1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.337 7.645 -2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.715 10.546 0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.830 9.954 -2.724 1.00 0.00 H new ATOM 0 HZ PHE A 20 -5.521 11.411 -1.231 1.00 0.00 H new ATOM 275 N CYS A 21 -3.666 6.218 1.389 1.00 0.00 N ATOM 276 CA CYS A 21 -2.405 6.890 1.682 1.00 0.00 C ATOM 277 C CYS A 21 -1.229 6.123 1.087 1.00 0.00 C ATOM 278 O CYS A 21 -0.283 6.719 0.572 1.00 0.00 O ATOM 279 CB CYS A 21 -2.221 7.039 3.193 1.00 0.00 C ATOM 280 SG CYS A 21 -1.443 5.613 3.985 1.00 0.00 S ATOM 0 H CYS A 21 -4.140 5.836 2.207 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.436 7.881 1.228 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -1.617 7.925 3.389 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.195 7.210 3.652 1.00 0.00 H new ATOM 0 HG CYS A 21 -2.051 4.525 3.614 1.00 0.00 H new ATOM 286 N SER A 22 -1.295 4.797 1.163 1.00 0.00 N ATOM 287 CA SER A 22 -0.233 3.948 0.637 1.00 0.00 C ATOM 288 C SER A 22 -0.252 3.937 -0.889 1.00 0.00 C ATOM 289 O SER A 22 0.777 3.726 -1.531 1.00 0.00 O ATOM 290 CB SER A 22 -0.380 2.522 1.170 1.00 0.00 C ATOM 291 OG SER A 22 0.840 1.809 1.062 1.00 0.00 O ATOM 0 H SER A 22 -2.073 4.288 1.584 1.00 0.00 H new ATOM 0 HA SER A 22 0.722 4.356 0.969 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.697 2.551 2.213 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.160 2.001 0.614 1.00 0.00 H new ATOM 0 HG SER A 22 0.720 0.901 1.411 1.00 0.00 H new ATOM 297 N GLU A 23 -1.429 4.165 -1.462 1.00 0.00 N ATOM 298 CA GLU A 23 -1.583 4.181 -2.912 1.00 0.00 C ATOM 299 C GLU A 23 -1.135 5.519 -3.492 1.00 0.00 C ATOM 300 O GLU A 23 -0.693 5.594 -4.639 1.00 0.00 O ATOM 301 CB GLU A 23 -3.038 3.907 -3.296 1.00 0.00 C ATOM 302 CG GLU A 23 -3.291 3.948 -4.794 1.00 0.00 C ATOM 303 CD GLU A 23 -3.035 2.612 -5.464 1.00 0.00 C ATOM 304 OE1 GLU A 23 -1.958 2.027 -5.228 1.00 0.00 O ATOM 305 OE2 GLU A 23 -3.912 2.152 -6.225 1.00 0.00 O ATOM 0 H GLU A 23 -2.290 4.341 -0.944 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.952 3.395 -3.327 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.327 2.928 -2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.678 4.642 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.322 4.251 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.651 4.706 -5.246 1.00 0.00 H new ATOM 312 N PHE A 24 -1.252 6.573 -2.692 1.00 0.00 N ATOM 313 CA PHE A 24 -0.861 7.910 -3.126 1.00 0.00 C ATOM 314 C PHE A 24 0.552 8.242 -2.655 1.00 0.00 C ATOM 315 O PHE A 24 1.177 9.180 -3.149 1.00 0.00 O ATOM 316 CB PHE A 24 -1.847 8.951 -2.592 1.00 0.00 C ATOM 317 CG PHE A 24 -3.043 9.152 -3.477 1.00 0.00 C ATOM 318 CD1 PHE A 24 -4.009 8.166 -3.595 1.00 0.00 C ATOM 319 CD2 PHE A 24 -3.203 10.329 -4.191 1.00 0.00 C ATOM 320 CE1 PHE A 24 -5.110 8.348 -4.410 1.00 0.00 C ATOM 321 CE2 PHE A 24 -4.303 10.518 -5.007 1.00 0.00 C ATOM 322 CZ PHE A 24 -5.258 9.526 -5.116 1.00 0.00 C ATOM 0 H PHE A 24 -1.614 6.528 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 24 -0.876 7.931 -4.216 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.185 8.645 -1.602 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.329 9.903 -2.473 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.900 7.244 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.459 11.108 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.854 7.570 -4.495 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.415 11.440 -5.558 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.119 9.671 -5.752 1.00 0.00 H new ATOM 332 N ARG A 25 1.048 7.467 -1.696 1.00 0.00 N ATOM 333 CA ARG A 25 2.385 7.680 -1.157 1.00 0.00 C ATOM 334 C ARG A 25 3.421 7.731 -2.276 1.00 0.00 C ATOM 335 O ARG A 25 4.297 8.595 -2.306 1.00 0.00 O ATOM 336 CB ARG A 25 2.742 6.569 -0.168 1.00 0.00 C ATOM 337 CG ARG A 25 3.654 7.027 0.959 1.00 0.00 C ATOM 338 CD ARG A 25 3.892 5.915 1.969 1.00 0.00 C ATOM 339 NE ARG A 25 5.141 6.101 2.703 1.00 0.00 N ATOM 340 CZ ARG A 25 5.660 5.185 3.514 1.00 0.00 C ATOM 341 NH1 ARG A 25 5.041 4.026 3.693 1.00 0.00 N ATOM 342 NH2 ARG A 25 6.801 5.427 4.147 1.00 0.00 N ATOM 0 H ARG A 25 0.544 6.686 -1.277 1.00 0.00 H new ATOM 0 HA ARG A 25 2.391 8.637 -0.636 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.824 6.166 0.260 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.226 5.755 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.608 7.355 0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.211 7.887 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.060 5.880 2.672 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.914 4.955 1.453 1.00 0.00 H new ATOM 0 HE ARG A 25 5.642 6.982 2.587 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.164 3.836 3.208 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.442 3.325 4.316 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.281 6.317 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.198 4.723 4.769 1.00 0.00 H new ATOM 356 N PRO A 26 3.320 6.783 -3.220 1.00 0.00 N ATOM 357 CA PRO A 26 4.239 6.699 -4.359 1.00 0.00 C ATOM 358 C PRO A 26 4.435 8.045 -5.047 1.00 0.00 C ATOM 359 O PRO A 26 5.562 8.507 -5.224 1.00 0.00 O ATOM 360 CB PRO A 26 3.547 5.711 -5.301 1.00 0.00 C ATOM 361 CG PRO A 26 2.702 4.867 -4.411 1.00 0.00 C ATOM 362 CD PRO A 26 2.300 5.721 -3.248 1.00 0.00 C ATOM 0 HA PRO A 26 5.239 6.389 -4.054 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.943 6.230 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.274 5.108 -5.845 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.824 4.504 -4.944 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.254 3.990 -4.073 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.299 6.132 -3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.290 5.152 -2.319 1.00 0.00 H new ATOM 370 N LYS A 27 3.329 8.672 -5.435 1.00 0.00 N ATOM 371 CA LYS A 27 3.377 9.967 -6.103 1.00 0.00 C ATOM 372 C LYS A 27 4.107 10.995 -5.244 1.00 0.00 C ATOM 373 O LYS A 27 5.075 11.614 -5.688 1.00 0.00 O ATOM 374 CB LYS A 27 1.961 10.457 -6.413 1.00 0.00 C ATOM 375 CG LYS A 27 1.110 9.435 -7.146 1.00 0.00 C ATOM 376 CD LYS A 27 -0.364 9.595 -6.813 1.00 0.00 C ATOM 377 CE LYS A 27 -1.227 8.654 -7.638 1.00 0.00 C ATOM 378 NZ LYS A 27 -2.593 9.204 -7.861 1.00 0.00 N ATOM 0 H LYS A 27 2.388 8.303 -5.298 1.00 0.00 H new ATOM 0 HA LYS A 27 3.925 9.846 -7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.467 10.727 -5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.023 11.364 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.255 9.543 -8.221 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.437 8.430 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.522 9.399 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.670 10.625 -6.996 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.748 8.472 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.301 7.692 -7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.209 8.459 -8.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.982 9.543 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.543 9.994 -8.535 1.00 0.00 H new ATOM 392 N ILE A 28 3.637 11.172 -4.014 1.00 0.00 N ATOM 393 CA ILE A 28 4.246 12.123 -3.094 1.00 0.00 C ATOM 394 C ILE A 28 5.760 11.944 -3.040 1.00 0.00 C ATOM 395 O ILE A 28 6.517 12.847 -3.396 1.00 0.00 O ATOM 396 CB ILE A 28 3.673 11.978 -1.672 1.00 0.00 C ATOM 397 CG1 ILE A 28 2.146 12.078 -1.702 1.00 0.00 C ATOM 398 CG2 ILE A 28 4.260 13.038 -0.752 1.00 0.00 C ATOM 399 CD1 ILE A 28 1.507 11.979 -0.334 1.00 0.00 C ATOM 0 H ILE A 28 2.836 10.669 -3.632 1.00 0.00 H new ATOM 0 HA ILE A 28 4.013 13.119 -3.471 1.00 0.00 H new ATOM 0 HB ILE A 28 3.948 10.997 -1.284 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.861 13.025 -2.160 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.750 11.285 -2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 28 3.845 12.921 0.249 1.00 0.00 H new ATOM 0 HG22 ILE A 28 5.343 12.925 -0.711 1.00 0.00 H new ATOM 0 HG23 ILE A 28 4.013 14.029 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 28 0.424 12.058 -0.432 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.762 11.020 0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.874 12.787 0.298 1.00 0.00 H new ATOM 411 N LYS A 29 6.195 10.770 -2.593 1.00 0.00 N ATOM 412 CA LYS A 29 7.618 10.469 -2.495 1.00 0.00 C ATOM 413 C LYS A 29 8.286 10.543 -3.865 1.00 0.00 C ATOM 414 O LYS A 29 9.512 10.586 -3.967 1.00 0.00 O ATOM 415 CB LYS A 29 7.826 9.079 -1.889 1.00 0.00 C ATOM 416 CG LYS A 29 7.145 8.894 -0.544 1.00 0.00 C ATOM 417 CD LYS A 29 7.710 7.701 0.208 1.00 0.00 C ATOM 418 CE LYS A 29 8.906 8.095 1.061 1.00 0.00 C ATOM 419 NZ LYS A 29 10.184 8.005 0.301 1.00 0.00 N ATOM 0 H LYS A 29 5.582 10.012 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 29 8.077 11.214 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.449 8.329 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.895 8.898 -1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.271 9.796 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.074 8.757 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.936 7.270 0.842 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.007 6.929 -0.502 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.772 9.113 1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.957 7.447 1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.968 7.826 0.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.125 7.227 -0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.352 8.899 -0.202 1.00 0.00 H new ATOM 433 N SER A 30 7.471 10.558 -4.915 1.00 0.00 N ATOM 434 CA SER A 30 7.984 10.625 -6.279 1.00 0.00 C ATOM 435 C SER A 30 7.971 12.060 -6.794 1.00 0.00 C ATOM 436 O SER A 30 8.456 12.344 -7.890 1.00 0.00 O ATOM 437 CB SER A 30 7.153 9.731 -7.202 1.00 0.00 C ATOM 438 OG SER A 30 7.636 9.785 -8.533 1.00 0.00 O ATOM 0 H SER A 30 6.454 10.525 -4.848 1.00 0.00 H new ATOM 0 HA SER A 30 9.015 10.270 -6.272 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.184 8.703 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.110 10.047 -7.177 1.00 0.00 H new ATOM 0 HG SER A 30 8.117 10.627 -8.672 1.00 0.00 H new ATOM 444 N THR A 31 7.411 12.964 -5.996 1.00 0.00 N ATOM 445 CA THR A 31 7.333 14.371 -6.371 1.00 0.00 C ATOM 446 C THR A 31 8.202 15.231 -5.461 1.00 0.00 C ATOM 447 O THR A 31 8.851 16.173 -5.915 1.00 0.00 O ATOM 448 CB THR A 31 5.883 14.887 -6.315 1.00 0.00 C ATOM 449 OG1 THR A 31 5.133 14.138 -5.352 1.00 0.00 O ATOM 450 CG2 THR A 31 5.218 14.780 -7.679 1.00 0.00 C ATOM 0 H THR A 31 7.005 12.747 -5.086 1.00 0.00 H new ATOM 0 HA THR A 31 7.698 14.446 -7.395 1.00 0.00 H new ATOM 0 HB THR A 31 5.905 15.936 -6.021 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.849 13.288 -5.748 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.195 15.150 -7.615 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.775 15.375 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.207 13.738 -7.998 1.00 0.00 H new ATOM 458 N ASN A 32 8.211 14.901 -4.173 1.00 0.00 N ATOM 459 CA ASN A 32 9.002 15.645 -3.199 1.00 0.00 C ATOM 460 C ASN A 32 10.426 15.103 -3.127 1.00 0.00 C ATOM 461 O ASN A 32 10.654 13.897 -3.029 1.00 0.00 O ATOM 462 CB ASN A 32 8.346 15.573 -1.818 1.00 0.00 C ATOM 463 CG ASN A 32 7.014 16.295 -1.772 1.00 0.00 C ATOM 464 OD1 ASN A 32 6.810 17.194 -0.956 1.00 0.00 O ATOM 465 ND2 ASN A 32 6.098 15.904 -2.651 1.00 0.00 N ATOM 0 H ASN A 32 7.680 14.124 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 32 9.045 16.686 -3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.200 14.529 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.017 16.007 -1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.182 16.353 -2.668 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.310 15.154 -3.309 1.00 0.00 H new ATOM 472 N PRO A 33 11.409 16.014 -3.176 1.00 0.00 N ATOM 473 CA PRO A 33 12.828 15.652 -3.117 1.00 0.00 C ATOM 474 C PRO A 33 13.238 15.140 -1.740 1.00 0.00 C ATOM 475 O PRO A 33 13.297 15.901 -0.776 1.00 0.00 O ATOM 476 CB PRO A 33 13.543 16.968 -3.432 1.00 0.00 C ATOM 477 CG PRO A 33 12.580 18.030 -3.027 1.00 0.00 C ATOM 478 CD PRO A 33 11.210 17.469 -3.292 1.00 0.00 C ATOM 0 HA PRO A 33 13.072 14.843 -3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 33 14.479 17.052 -2.880 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.790 17.041 -4.491 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.700 18.285 -1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.744 18.944 -3.597 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.480 17.834 -2.570 1.00 0.00 H new ATOM 0 HD3 PRO A 33 10.846 17.747 -4.281 1.00 0.00 H new ATOM 486 N GLY A 34 13.523 13.843 -1.657 1.00 0.00 N ATOM 487 CA GLY A 34 13.925 13.252 -0.395 1.00 0.00 C ATOM 488 C GLY A 34 13.006 13.640 0.746 1.00 0.00 C ATOM 489 O GLY A 34 13.453 14.190 1.753 1.00 0.00 O ATOM 0 H GLY A 34 13.482 13.192 -2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 34 13.938 12.167 -0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.943 13.563 -0.160 1.00 0.00 H new ATOM 493 N ILE A 35 11.717 13.354 0.589 1.00 0.00 N ATOM 494 CA ILE A 35 10.733 13.678 1.615 1.00 0.00 C ATOM 495 C ILE A 35 10.864 12.747 2.816 1.00 0.00 C ATOM 496 O ILE A 35 11.237 11.583 2.674 1.00 0.00 O ATOM 497 CB ILE A 35 9.297 13.589 1.065 1.00 0.00 C ATOM 498 CG1 ILE A 35 8.300 14.126 2.093 1.00 0.00 C ATOM 499 CG2 ILE A 35 8.961 12.153 0.693 1.00 0.00 C ATOM 500 CD1 ILE A 35 6.964 14.509 1.496 1.00 0.00 C ATOM 0 H ILE A 35 11.330 12.899 -0.238 1.00 0.00 H new ATOM 0 HA ILE A 35 10.930 14.703 1.930 1.00 0.00 H new ATOM 0 HB ILE A 35 9.229 14.202 0.166 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.142 13.371 2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 35 8.732 14.997 2.585 1.00 0.00 H new ATOM 0 HG21 ILE A 35 7.943 12.106 0.306 1.00 0.00 H new ATOM 0 HG22 ILE A 35 9.656 11.803 -0.070 1.00 0.00 H new ATOM 0 HG23 ILE A 35 9.043 11.520 1.576 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.307 14.881 2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 35 7.110 15.287 0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 35 6.511 13.635 1.028 1.00 0.00 H new ATOM 512 N SER A 36 10.554 13.269 3.998 1.00 0.00 N ATOM 513 CA SER A 36 10.639 12.485 5.225 1.00 0.00 C ATOM 514 C SER A 36 9.264 11.961 5.631 1.00 0.00 C ATOM 515 O SER A 36 8.255 12.650 5.478 1.00 0.00 O ATOM 516 CB SER A 36 11.228 13.331 6.355 1.00 0.00 C ATOM 517 OG SER A 36 10.264 14.229 6.877 1.00 0.00 O ATOM 0 H SER A 36 10.242 14.231 4.132 1.00 0.00 H new ATOM 0 HA SER A 36 11.293 11.633 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.590 12.679 7.150 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.087 13.890 5.985 1.00 0.00 H new ATOM 0 HG SER A 36 9.815 14.692 6.139 1.00 0.00 H new ATOM 523 N ILE A 37 9.234 10.737 6.148 1.00 0.00 N ATOM 524 CA ILE A 37 7.985 10.120 6.576 1.00 0.00 C ATOM 525 C ILE A 37 7.030 11.158 7.157 1.00 0.00 C ATOM 526 O ILE A 37 5.896 11.297 6.701 1.00 0.00 O ATOM 527 CB ILE A 37 8.232 9.021 7.627 1.00 0.00 C ATOM 528 CG1 ILE A 37 9.226 7.989 7.093 1.00 0.00 C ATOM 529 CG2 ILE A 37 6.920 8.353 8.011 1.00 0.00 C ATOM 530 CD1 ILE A 37 9.040 7.673 5.625 1.00 0.00 C ATOM 0 H ILE A 37 10.060 10.154 6.280 1.00 0.00 H new ATOM 0 HA ILE A 37 7.535 9.671 5.691 1.00 0.00 H new ATOM 0 HB ILE A 37 8.659 9.480 8.519 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.240 8.357 7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 37 9.127 7.069 7.670 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.110 7.579 8.754 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.241 9.097 8.427 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.468 7.904 7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.779 6.934 5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.038 7.275 5.463 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.168 8.582 5.038 1.00 0.00 H new ATOM 542 N GLY A 38 7.499 11.886 8.166 1.00 0.00 N ATOM 543 CA GLY A 38 6.674 12.903 8.792 1.00 0.00 C ATOM 544 C GLY A 38 5.943 13.761 7.778 1.00 0.00 C ATOM 545 O GLY A 38 4.727 13.933 7.862 1.00 0.00 O ATOM 0 H GLY A 38 8.435 11.790 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.948 12.424 9.449 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.299 13.539 9.418 1.00 0.00 H new ATOM 549 N ASP A 39 6.686 14.304 6.819 1.00 0.00 N ATOM 550 CA ASP A 39 6.101 15.149 5.785 1.00 0.00 C ATOM 551 C ASP A 39 4.954 14.432 5.081 1.00 0.00 C ATOM 552 O ASP A 39 3.813 14.894 5.102 1.00 0.00 O ATOM 553 CB ASP A 39 7.166 15.556 4.767 1.00 0.00 C ATOM 554 CG ASP A 39 8.146 16.569 5.326 1.00 0.00 C ATOM 555 OD1 ASP A 39 7.714 17.694 5.654 1.00 0.00 O ATOM 556 OD2 ASP A 39 9.345 16.237 5.436 1.00 0.00 O ATOM 0 H ASP A 39 7.694 14.174 6.737 1.00 0.00 H new ATOM 0 HA ASP A 39 5.706 16.045 6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.711 14.670 4.442 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.680 15.973 3.885 1.00 0.00 H new ATOM 561 N VAL A 40 5.264 13.300 4.457 1.00 0.00 N ATOM 562 CA VAL A 40 4.260 12.519 3.746 1.00 0.00 C ATOM 563 C VAL A 40 3.033 12.276 4.619 1.00 0.00 C ATOM 564 O VAL A 40 1.900 12.485 4.187 1.00 0.00 O ATOM 565 CB VAL A 40 4.826 11.162 3.286 1.00 0.00 C ATOM 566 CG1 VAL A 40 3.745 10.334 2.608 1.00 0.00 C ATOM 567 CG2 VAL A 40 6.012 11.368 2.357 1.00 0.00 C ATOM 0 H VAL A 40 6.203 12.904 4.430 1.00 0.00 H new ATOM 0 HA VAL A 40 3.970 13.099 2.870 1.00 0.00 H new ATOM 0 HB VAL A 40 5.171 10.616 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.164 9.379 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.929 10.157 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.366 10.872 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.400 10.399 2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.694 11.934 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.793 11.918 2.881 1.00 0.00 H new ATOM 577 N ALA A 41 3.268 11.833 5.849 1.00 0.00 N ATOM 578 CA ALA A 41 2.183 11.564 6.785 1.00 0.00 C ATOM 579 C ALA A 41 1.225 12.747 6.869 1.00 0.00 C ATOM 580 O ALA A 41 0.010 12.585 6.752 1.00 0.00 O ATOM 581 CB ALA A 41 2.742 11.236 8.161 1.00 0.00 C ATOM 0 H ALA A 41 4.200 11.653 6.221 1.00 0.00 H new ATOM 0 HA ALA A 41 1.624 10.703 6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.921 11.037 8.850 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.380 10.355 8.094 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.326 12.080 8.527 1.00 0.00 H new ATOM 587 N LYS A 42 1.779 13.938 7.073 1.00 0.00 N ATOM 588 CA LYS A 42 0.974 15.149 7.172 1.00 0.00 C ATOM 589 C LYS A 42 0.106 15.330 5.931 1.00 0.00 C ATOM 590 O LYS A 42 -1.113 15.477 6.028 1.00 0.00 O ATOM 591 CB LYS A 42 1.876 16.371 7.358 1.00 0.00 C ATOM 592 CG LYS A 42 1.118 17.687 7.396 1.00 0.00 C ATOM 593 CD LYS A 42 2.057 18.876 7.277 1.00 0.00 C ATOM 594 CE LYS A 42 2.538 19.344 8.642 1.00 0.00 C ATOM 595 NZ LYS A 42 3.727 18.577 9.105 1.00 0.00 N ATOM 0 H LYS A 42 2.783 14.090 7.173 1.00 0.00 H new ATOM 0 HA LYS A 42 0.321 15.050 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.439 16.259 8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.602 16.403 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.392 17.713 6.583 1.00 0.00 H new ATOM 0 HG3 LYS A 42 0.557 17.758 8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.914 18.604 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.547 19.695 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.786 20.404 8.596 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.732 19.236 9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.271 19.153 9.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.415 17.701 9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 4.327 18.340 8.289 1.00 0.00 H new ATOM 609 N LYS A 43 0.741 15.315 4.763 1.00 0.00 N ATOM 610 CA LYS A 43 0.027 15.474 3.502 1.00 0.00 C ATOM 611 C LYS A 43 -1.127 14.481 3.400 1.00 0.00 C ATOM 612 O LYS A 43 -2.284 14.872 3.243 1.00 0.00 O ATOM 613 CB LYS A 43 0.984 15.282 2.323 1.00 0.00 C ATOM 614 CG LYS A 43 1.849 16.497 2.038 1.00 0.00 C ATOM 615 CD LYS A 43 3.126 16.114 1.308 1.00 0.00 C ATOM 616 CE LYS A 43 3.866 17.342 0.799 1.00 0.00 C ATOM 617 NZ LYS A 43 4.206 18.281 1.903 1.00 0.00 N ATOM 0 H LYS A 43 1.749 15.194 4.664 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.382 16.484 3.470 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.629 14.427 2.525 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.405 15.041 1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.287 17.212 1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.100 16.994 2.975 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.774 15.549 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.885 15.460 0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.780 17.031 0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.251 17.857 0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.865 19.005 1.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.339 18.740 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.653 17.755 2.681 1.00 0.00 H new ATOM 631 N LEU A 44 -0.804 13.195 3.493 1.00 0.00 N ATOM 632 CA LEU A 44 -1.814 12.146 3.413 1.00 0.00 C ATOM 633 C LEU A 44 -3.044 12.509 4.240 1.00 0.00 C ATOM 634 O LEU A 44 -4.162 12.536 3.730 1.00 0.00 O ATOM 635 CB LEU A 44 -1.235 10.815 3.897 1.00 0.00 C ATOM 636 CG LEU A 44 -0.042 10.276 3.108 1.00 0.00 C ATOM 637 CD1 LEU A 44 0.596 9.105 3.838 1.00 0.00 C ATOM 638 CD2 LEU A 44 -0.471 9.864 1.707 1.00 0.00 C ATOM 0 H LEU A 44 0.149 12.855 3.624 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.116 12.046 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.934 10.930 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.028 10.067 3.875 1.00 0.00 H new ATOM 0 HG LEU A 44 0.699 11.070 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.443 8.735 3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.940 9.432 4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.138 8.308 3.958 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.391 9.483 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.232 9.086 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.880 10.728 1.183 1.00 0.00 H new ATOM 650 N GLY A 45 -2.827 12.790 5.522 1.00 0.00 N ATOM 651 CA GLY A 45 -3.926 13.150 6.399 1.00 0.00 C ATOM 652 C GLY A 45 -4.847 14.182 5.780 1.00 0.00 C ATOM 653 O GLY A 45 -6.069 14.060 5.860 1.00 0.00 O ATOM 0 H GLY A 45 -1.910 12.775 5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.499 12.256 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.527 13.539 7.336 1.00 0.00 H new ATOM 657 N GLU A 46 -4.260 15.203 5.162 1.00 0.00 N ATOM 658 CA GLU A 46 -5.038 16.262 4.530 1.00 0.00 C ATOM 659 C GLU A 46 -5.804 15.727 3.323 1.00 0.00 C ATOM 660 O GLU A 46 -7.016 15.907 3.215 1.00 0.00 O ATOM 661 CB GLU A 46 -4.122 17.410 4.099 1.00 0.00 C ATOM 662 CG GLU A 46 -3.926 18.467 5.172 1.00 0.00 C ATOM 663 CD GLU A 46 -5.016 19.520 5.160 1.00 0.00 C ATOM 664 OE1 GLU A 46 -6.202 19.148 5.279 1.00 0.00 O ATOM 665 OE2 GLU A 46 -4.683 20.717 5.033 1.00 0.00 O ATOM 0 H GLU A 46 -3.249 15.319 5.086 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.757 16.635 5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.150 17.003 3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.538 17.881 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.901 17.986 6.150 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.959 18.949 5.029 1.00 0.00 H new ATOM 672 N MET A 47 -5.086 15.070 2.417 1.00 0.00 N ATOM 673 CA MET A 47 -5.698 14.509 1.218 1.00 0.00 C ATOM 674 C MET A 47 -6.911 13.657 1.575 1.00 0.00 C ATOM 675 O MET A 47 -7.950 13.733 0.918 1.00 0.00 O ATOM 676 CB MET A 47 -4.679 13.668 0.446 1.00 0.00 C ATOM 677 CG MET A 47 -3.322 14.338 0.303 1.00 0.00 C ATOM 678 SD MET A 47 -2.445 13.820 -1.184 1.00 0.00 S ATOM 679 CE MET A 47 -2.530 12.038 -1.025 1.00 0.00 C ATOM 0 H MET A 47 -4.081 14.913 2.491 1.00 0.00 H new ATOM 0 HA MET A 47 -6.029 15.335 0.588 1.00 0.00 H new ATOM 0 HB2 MET A 47 -4.551 12.711 0.953 1.00 0.00 H new ATOM 0 HB3 MET A 47 -5.075 13.453 -0.546 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.456 15.420 0.283 1.00 0.00 H new ATOM 0 HG3 MET A 47 -2.714 14.108 1.178 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.575 11.601 -1.316 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.749 11.775 0.010 1.00 0.00 H new ATOM 0 HE3 MET A 47 -3.318 11.652 -1.672 1.00 0.00 H new ATOM 689 N TRP A 48 -6.773 12.847 2.619 1.00 0.00 N ATOM 690 CA TRP A 48 -7.860 11.980 3.062 1.00 0.00 C ATOM 691 C TRP A 48 -9.089 12.798 3.440 1.00 0.00 C ATOM 692 O TRP A 48 -10.190 12.541 2.955 1.00 0.00 O ATOM 693 CB TRP A 48 -7.410 11.133 4.254 1.00 0.00 C ATOM 694 CG TRP A 48 -8.509 10.299 4.839 1.00 0.00 C ATOM 695 CD1 TRP A 48 -9.063 10.427 6.081 1.00 0.00 C ATOM 696 CD2 TRP A 48 -9.187 9.208 4.206 1.00 0.00 C ATOM 697 NE1 TRP A 48 -10.043 9.481 6.258 1.00 0.00 N ATOM 698 CE2 TRP A 48 -10.140 8.722 5.122 1.00 0.00 C ATOM 699 CE3 TRP A 48 -9.083 8.596 2.954 1.00 0.00 C ATOM 700 CZ2 TRP A 48 -10.980 7.652 4.824 1.00 0.00 C ATOM 701 CZ3 TRP A 48 -9.917 7.535 2.660 1.00 0.00 C ATOM 702 CH2 TRP A 48 -10.856 7.072 3.591 1.00 0.00 C ATOM 0 H TRP A 48 -5.920 12.772 3.174 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.126 11.321 2.236 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.596 10.480 3.940 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -7.011 11.790 5.027 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.773 11.164 6.816 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -10.607 9.363 7.099 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.363 8.946 2.229 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -11.704 7.293 5.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -9.844 7.054 1.696 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -11.495 6.241 3.330 1.00 0.00 H new ATOM 713 N ASN A 49 -8.894 13.785 4.308 1.00 0.00 N ATOM 714 CA ASN A 49 -9.989 14.641 4.751 1.00 0.00 C ATOM 715 C ASN A 49 -10.597 15.398 3.575 1.00 0.00 C ATOM 716 O ASN A 49 -11.771 15.767 3.601 1.00 0.00 O ATOM 717 CB ASN A 49 -9.495 15.630 5.809 1.00 0.00 C ATOM 718 CG ASN A 49 -10.624 16.176 6.662 1.00 0.00 C ATOM 719 OD1 ASN A 49 -11.591 15.473 6.956 1.00 0.00 O ATOM 720 ND2 ASN A 49 -10.505 17.436 7.065 1.00 0.00 N ATOM 0 H ASN A 49 -7.988 14.012 4.719 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.759 14.006 5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.764 15.137 6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.982 16.457 5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.233 17.858 7.642 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.686 17.982 6.797 1.00 0.00 H new ATOM 727 N ASN A 50 -9.790 15.627 2.544 1.00 0.00 N ATOM 728 CA ASN A 50 -10.248 16.341 1.358 1.00 0.00 C ATOM 729 C ASN A 50 -11.188 15.470 0.528 1.00 0.00 C ATOM 730 O ASN A 50 -12.050 15.978 -0.190 1.00 0.00 O ATOM 731 CB ASN A 50 -9.054 16.776 0.506 1.00 0.00 C ATOM 732 CG ASN A 50 -8.530 18.143 0.902 1.00 0.00 C ATOM 733 OD1 ASN A 50 -9.138 19.167 0.593 1.00 0.00 O ATOM 734 ND2 ASN A 50 -7.394 18.164 1.590 1.00 0.00 N ATOM 0 H ASN A 50 -8.815 15.328 2.506 1.00 0.00 H new ATOM 0 HA ASN A 50 -10.794 17.226 1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.255 16.041 0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -9.347 16.792 -0.544 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.992 19.054 1.884 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.924 17.290 1.824 1.00 0.00 H new ATOM 741 N LEU A 51 -11.016 14.157 0.633 1.00 0.00 N ATOM 742 CA LEU A 51 -11.848 13.215 -0.106 1.00 0.00 C ATOM 743 C LEU A 51 -13.300 13.290 0.358 1.00 0.00 C ATOM 744 O LEU A 51 -13.577 13.634 1.506 1.00 0.00 O ATOM 745 CB LEU A 51 -11.319 11.790 0.068 1.00 0.00 C ATOM 746 CG LEU A 51 -10.041 11.451 -0.700 1.00 0.00 C ATOM 747 CD1 LEU A 51 -9.364 10.230 -0.096 1.00 0.00 C ATOM 748 CD2 LEU A 51 -10.349 11.219 -2.172 1.00 0.00 C ATOM 0 H LEU A 51 -10.308 13.721 1.223 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.808 13.485 -1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.138 11.618 1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.099 11.094 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.357 12.296 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.456 10.003 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.108 10.433 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.042 9.378 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.428 10.979 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.051 10.391 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.789 12.121 -2.598 1.00 0.00 H new ATOM 760 N ASN A 52 -14.221 12.965 -0.543 1.00 0.00 N ATOM 761 CA ASN A 52 -15.644 12.994 -0.226 1.00 0.00 C ATOM 762 C ASN A 52 -16.131 11.619 0.220 1.00 0.00 C ATOM 763 O ASN A 52 -15.450 10.613 0.017 1.00 0.00 O ATOM 764 CB ASN A 52 -16.449 13.465 -1.439 1.00 0.00 C ATOM 765 CG ASN A 52 -15.834 14.680 -2.106 1.00 0.00 C ATOM 766 OD1 ASN A 52 -15.718 15.744 -1.497 1.00 0.00 O ATOM 767 ND2 ASN A 52 -15.435 14.526 -3.363 1.00 0.00 N ATOM 0 H ASN A 52 -14.007 12.679 -1.498 1.00 0.00 H new ATOM 0 HA ASN A 52 -15.793 13.696 0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -16.518 12.653 -2.163 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -17.466 13.701 -1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -15.013 15.308 -3.863 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -15.551 13.626 -3.828 1.00 0.00 H new ATOM 774 N ASP A 53 -17.312 11.583 0.826 1.00 0.00 N ATOM 775 CA ASP A 53 -17.891 10.331 1.299 1.00 0.00 C ATOM 776 C ASP A 53 -18.098 9.357 0.143 1.00 0.00 C ATOM 777 O ASP A 53 -18.234 8.152 0.350 1.00 0.00 O ATOM 778 CB ASP A 53 -19.222 10.594 2.005 1.00 0.00 C ATOM 779 CG ASP A 53 -20.031 11.683 1.328 1.00 0.00 C ATOM 780 OD1 ASP A 53 -20.347 11.530 0.129 1.00 0.00 O ATOM 781 OD2 ASP A 53 -20.349 12.688 1.997 1.00 0.00 O ATOM 0 H ASP A 53 -17.888 12.407 1.001 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.195 9.883 2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -19.805 9.674 2.029 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -19.031 10.877 3.040 1.00 0.00 H new ATOM 786 N SER A 54 -18.123 9.889 -1.075 1.00 0.00 N ATOM 787 CA SER A 54 -18.318 9.068 -2.264 1.00 0.00 C ATOM 788 C SER A 54 -16.981 8.578 -2.812 1.00 0.00 C ATOM 789 O SER A 54 -16.922 7.583 -3.533 1.00 0.00 O ATOM 790 CB SER A 54 -19.063 9.861 -3.340 1.00 0.00 C ATOM 791 OG SER A 54 -20.466 9.713 -3.203 1.00 0.00 O ATOM 0 H SER A 54 -18.011 10.885 -1.264 1.00 0.00 H new ATOM 0 HA SER A 54 -18.915 8.201 -1.982 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.797 10.916 -3.269 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.753 9.520 -4.328 1.00 0.00 H new ATOM 0 HG SER A 54 -20.919 10.231 -3.901 1.00 0.00 H new ATOM 797 N GLU A 55 -15.911 9.286 -2.464 1.00 0.00 N ATOM 798 CA GLU A 55 -14.575 8.924 -2.922 1.00 0.00 C ATOM 799 C GLU A 55 -13.974 7.834 -2.038 1.00 0.00 C ATOM 800 O GLU A 55 -13.234 6.972 -2.512 1.00 0.00 O ATOM 801 CB GLU A 55 -13.663 10.153 -2.926 1.00 0.00 C ATOM 802 CG GLU A 55 -13.995 11.154 -4.020 1.00 0.00 C ATOM 803 CD GLU A 55 -13.548 10.688 -5.392 1.00 0.00 C ATOM 804 OE1 GLU A 55 -14.068 9.657 -5.867 1.00 0.00 O ATOM 805 OE2 GLU A 55 -12.677 11.355 -5.990 1.00 0.00 O ATOM 0 H GLU A 55 -15.943 10.113 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 55 -14.659 8.539 -3.938 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.732 10.649 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -12.629 9.828 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.071 11.329 -4.033 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.519 12.108 -3.791 1.00 0.00 H new ATOM 812 N LYS A 56 -14.298 7.880 -0.750 1.00 0.00 N ATOM 813 CA LYS A 56 -13.792 6.897 0.201 1.00 0.00 C ATOM 814 C LYS A 56 -14.600 5.606 0.131 1.00 0.00 C ATOM 815 O LYS A 56 -14.125 4.544 0.532 1.00 0.00 O ATOM 816 CB LYS A 56 -13.838 7.463 1.622 1.00 0.00 C ATOM 817 CG LYS A 56 -13.193 8.832 1.753 1.00 0.00 C ATOM 818 CD LYS A 56 -13.325 9.378 3.165 1.00 0.00 C ATOM 819 CE LYS A 56 -12.296 10.465 3.441 1.00 0.00 C ATOM 820 NZ LYS A 56 -12.277 10.859 4.876 1.00 0.00 N ATOM 0 H LYS A 56 -14.909 8.587 -0.341 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.758 6.672 -0.062 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.877 7.528 1.945 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.337 6.769 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.139 8.766 1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -13.658 9.523 1.050 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -14.328 9.780 3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.201 8.567 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.307 10.112 3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.517 11.338 2.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -12.030 11.866 4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.216 10.699 5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.571 10.288 5.383 1.00 0.00 H new ATOM 834 N GLN A 57 -15.822 5.705 -0.382 1.00 0.00 N ATOM 835 CA GLN A 57 -16.695 4.543 -0.505 1.00 0.00 C ATOM 836 C GLN A 57 -15.919 3.329 -1.004 1.00 0.00 C ATOM 837 O GLN A 57 -15.864 2.286 -0.352 1.00 0.00 O ATOM 838 CB GLN A 57 -17.854 4.848 -1.457 1.00 0.00 C ATOM 839 CG GLN A 57 -19.102 5.355 -0.752 1.00 0.00 C ATOM 840 CD GLN A 57 -19.922 4.237 -0.140 1.00 0.00 C ATOM 841 OE1 GLN A 57 -20.599 3.489 -0.846 1.00 0.00 O ATOM 842 NE2 GLN A 57 -19.865 4.116 1.182 1.00 0.00 N ATOM 0 H GLN A 57 -16.230 6.577 -0.719 1.00 0.00 H new ATOM 0 HA GLN A 57 -17.095 4.315 0.483 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -17.530 5.592 -2.184 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -18.103 3.945 -2.014 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.813 6.058 0.029 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -19.718 5.905 -1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -19.291 4.758 1.729 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -20.395 3.381 1.650 1.00 0.00 H new ATOM 851 N PRO A 58 -15.303 3.465 -2.188 1.00 0.00 N ATOM 852 CA PRO A 58 -14.518 2.389 -2.800 1.00 0.00 C ATOM 853 C PRO A 58 -13.221 2.117 -2.047 1.00 0.00 C ATOM 854 O PRO A 58 -12.544 1.119 -2.297 1.00 0.00 O ATOM 855 CB PRO A 58 -14.220 2.922 -4.204 1.00 0.00 C ATOM 856 CG PRO A 58 -14.283 4.404 -4.068 1.00 0.00 C ATOM 857 CD PRO A 58 -15.326 4.679 -3.020 1.00 0.00 C ATOM 0 HA PRO A 58 -15.054 1.440 -2.794 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.239 2.598 -4.551 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -14.950 2.560 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -13.316 4.810 -3.772 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -14.549 4.872 -5.016 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -15.086 5.569 -2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -16.308 4.843 -3.464 1.00 0.00 H new ATOM 865 N TYR A 59 -12.880 3.010 -1.124 1.00 0.00 N ATOM 866 CA TYR A 59 -11.662 2.867 -0.336 1.00 0.00 C ATOM 867 C TYR A 59 -11.954 2.191 1.001 1.00 0.00 C ATOM 868 O TYR A 59 -11.074 1.578 1.605 1.00 0.00 O ATOM 869 CB TYR A 59 -11.019 4.234 -0.099 1.00 0.00 C ATOM 870 CG TYR A 59 -10.233 4.748 -1.284 1.00 0.00 C ATOM 871 CD1 TYR A 59 -9.187 4.009 -1.822 1.00 0.00 C ATOM 872 CD2 TYR A 59 -10.538 5.972 -1.867 1.00 0.00 C ATOM 873 CE1 TYR A 59 -8.466 4.474 -2.904 1.00 0.00 C ATOM 874 CE2 TYR A 59 -9.823 6.445 -2.950 1.00 0.00 C ATOM 875 CZ TYR A 59 -8.788 5.692 -3.465 1.00 0.00 C ATOM 876 OH TYR A 59 -8.073 6.159 -4.544 1.00 0.00 O ATOM 0 H TYR A 59 -13.430 3.840 -0.904 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.969 2.239 -0.896 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.798 4.954 0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.357 4.170 0.765 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.933 3.054 -1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -11.348 6.564 -1.466 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.655 3.887 -3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.073 7.399 -3.391 1.00 0.00 H new ATOM 0 HH TYR A 59 -8.427 7.030 -4.819 1.00 0.00 H new ATOM 886 N ILE A 60 -13.197 2.309 1.456 1.00 0.00 N ATOM 887 CA ILE A 60 -13.607 1.709 2.720 1.00 0.00 C ATOM 888 C ILE A 60 -13.988 0.244 2.534 1.00 0.00 C ATOM 889 O ILE A 60 -13.568 -0.621 3.304 1.00 0.00 O ATOM 890 CB ILE A 60 -14.798 2.462 3.340 1.00 0.00 C ATOM 891 CG1 ILE A 60 -14.394 3.895 3.694 1.00 0.00 C ATOM 892 CG2 ILE A 60 -15.304 1.729 4.574 1.00 0.00 C ATOM 893 CD1 ILE A 60 -15.564 4.775 4.077 1.00 0.00 C ATOM 0 H ILE A 60 -13.937 2.814 0.969 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.753 1.778 3.394 1.00 0.00 H new ATOM 0 HB ILE A 60 -15.605 2.501 2.608 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -13.683 3.870 4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -13.879 4.340 2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -16.146 2.274 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -15.625 0.725 4.295 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -14.504 1.662 5.311 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -15.204 5.776 4.315 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -16.265 4.830 3.245 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -16.067 4.354 4.948 1.00 0.00 H new ATOM 905 N THR A 61 -14.786 -0.030 1.507 1.00 0.00 N ATOM 906 CA THR A 61 -15.223 -1.390 1.219 1.00 0.00 C ATOM 907 C THR A 61 -14.033 -2.333 1.085 1.00 0.00 C ATOM 908 O THR A 61 -14.123 -3.514 1.420 1.00 0.00 O ATOM 909 CB THR A 61 -16.059 -1.449 -0.073 1.00 0.00 C ATOM 910 OG1 THR A 61 -17.144 -0.517 0.001 1.00 0.00 O ATOM 911 CG2 THR A 61 -16.604 -2.851 -0.301 1.00 0.00 C ATOM 0 H THR A 61 -15.143 0.673 0.860 1.00 0.00 H new ATOM 0 HA THR A 61 -15.842 -1.708 2.058 1.00 0.00 H new ATOM 0 HB THR A 61 -15.412 -1.186 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 61 -16.812 0.387 -0.182 1.00 0.00 H new ATOM 0 HG21 THR A 61 -17.191 -2.868 -1.219 1.00 0.00 H new ATOM 0 HG22 THR A 61 -15.775 -3.554 -0.387 1.00 0.00 H new ATOM 0 HG23 THR A 61 -17.237 -3.137 0.539 1.00 0.00 H new ATOM 919 N LYS A 62 -12.918 -1.805 0.593 1.00 0.00 N ATOM 920 CA LYS A 62 -11.708 -2.598 0.416 1.00 0.00 C ATOM 921 C LYS A 62 -11.200 -3.123 1.755 1.00 0.00 C ATOM 922 O LYS A 62 -11.109 -4.332 1.965 1.00 0.00 O ATOM 923 CB LYS A 62 -10.620 -1.763 -0.263 1.00 0.00 C ATOM 924 CG LYS A 62 -9.282 -2.476 -0.367 1.00 0.00 C ATOM 925 CD LYS A 62 -9.230 -3.389 -1.580 1.00 0.00 C ATOM 926 CE LYS A 62 -8.070 -4.368 -1.491 1.00 0.00 C ATOM 927 NZ LYS A 62 -6.756 -3.688 -1.654 1.00 0.00 N ATOM 0 H LYS A 62 -12.827 -0.829 0.309 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.952 -3.450 -0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.955 -1.489 -1.263 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -10.486 -0.835 0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.480 -1.740 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.109 -3.060 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -10.167 -3.940 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.132 -2.789 -2.485 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.098 -4.878 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.181 -5.133 -2.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.991 -4.390 -1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.719 -3.223 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -6.639 -2.976 -0.906 1.00 0.00 H new ATOM 941 N ALA A 63 -10.873 -2.205 2.659 1.00 0.00 N ATOM 942 CA ALA A 63 -10.378 -2.575 3.979 1.00 0.00 C ATOM 943 C ALA A 63 -11.245 -3.662 4.605 1.00 0.00 C ATOM 944 O ALA A 63 -10.734 -4.624 5.177 1.00 0.00 O ATOM 945 CB ALA A 63 -10.324 -1.353 4.884 1.00 0.00 C ATOM 0 H ALA A 63 -10.942 -1.200 2.501 1.00 0.00 H new ATOM 0 HA ALA A 63 -9.370 -2.973 3.864 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.953 -1.644 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.657 -0.608 4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.324 -0.930 4.985 1.00 0.00 H new ATOM 951 N ALA A 64 -12.560 -3.501 4.494 1.00 0.00 N ATOM 952 CA ALA A 64 -13.497 -4.469 5.048 1.00 0.00 C ATOM 953 C ALA A 64 -13.167 -5.883 4.582 1.00 0.00 C ATOM 954 O ALA A 64 -13.371 -6.853 5.312 1.00 0.00 O ATOM 955 CB ALA A 64 -14.923 -4.104 4.663 1.00 0.00 C ATOM 0 H ALA A 64 -13.000 -2.709 4.025 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.407 -4.443 6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.612 -4.836 5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.163 -3.114 5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -15.017 -4.100 3.577 1.00 0.00 H new