USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 761 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 97 TYR OH : rot 81:sc= 1.68 USER MOD Set 1.2: A 117 TYR OH : rot 180:sc= 0.696 USER MOD Set 2.1: A 18 MET CE :methyl -175:sc= -1.76 (180deg=-1.95) USER MOD Set 2.2: A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 14 THR OG1 : rot -162:sc= 1.13 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 164:sc= -0.152 (180deg=-0.281) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.908 F(o=-1.6,f=-0.91) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.0186 USER MOD Single : A 35 GLN : amide:sc= -0.294 X(o=-0.29,f=-0.45) USER MOD Single : A 37 TYR OH : rot 30:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -0.339 X(o=-0.34,f=-0.25) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 162:sc=-0.00713 (180deg=-0.152) USER MOD Single : A 48 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.153) USER MOD Single : A 50 LYS NZ :NH3+ 139:sc= -0.23 (180deg=-1.92!) USER MOD Single : A 57 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.056) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= 0.816 (180deg=0.676) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= 0.302 (180deg=0.253) USER MOD Single : A 89 LYS NZ :NH3+ -116:sc= 1.23 (180deg=0.666) USER MOD Single : A 95 LYS NZ :NH3+ 152:sc= -1.15 (180deg=-2.23) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -93:sc= 0.265 USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 180 N THR A 14 9.300 -7.958 -1.935 1.00 0.00 N ATOM 181 CA THR A 14 8.138 -8.679 -1.453 1.00 0.00 C ATOM 182 C THR A 14 7.492 -9.442 -2.626 1.00 0.00 C ATOM 183 O THR A 14 7.100 -10.600 -2.454 1.00 0.00 O ATOM 184 CB THR A 14 7.168 -7.724 -0.725 1.00 0.00 C ATOM 185 OG1 THR A 14 6.242 -8.546 -0.050 1.00 0.00 O ATOM 186 CG2 THR A 14 6.473 -6.724 -1.658 1.00 0.00 C ATOM 0 HA THR A 14 8.432 -9.421 -0.710 1.00 0.00 H new ATOM 0 HB THR A 14 7.722 -7.091 -0.032 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.450 -8.020 0.187 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.807 -6.086 -1.077 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.223 -6.108 -2.155 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.895 -7.266 -2.406 1.00 0.00 H new ATOM 194 N SER A 15 7.460 -8.832 -3.820 1.00 0.00 N ATOM 195 CA SER A 15 6.877 -9.379 -5.035 1.00 0.00 C ATOM 196 C SER A 15 5.421 -9.805 -4.787 1.00 0.00 C ATOM 197 O SER A 15 5.032 -10.958 -4.996 1.00 0.00 O ATOM 198 CB SER A 15 7.806 -10.450 -5.616 1.00 0.00 C ATOM 199 OG SER A 15 7.571 -10.653 -6.995 1.00 0.00 O ATOM 0 H SER A 15 7.859 -7.904 -3.962 1.00 0.00 H new ATOM 0 HA SER A 15 6.801 -8.621 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.844 -10.153 -5.463 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.660 -11.388 -5.080 1.00 0.00 H new ATOM 0 HG SER A 15 8.182 -11.341 -7.333 1.00 0.00 H new ATOM 205 N GLU A 16 4.631 -8.867 -4.263 1.00 0.00 N ATOM 206 CA GLU A 16 3.214 -9.023 -3.957 1.00 0.00 C ATOM 207 C GLU A 16 2.458 -7.865 -4.618 1.00 0.00 C ATOM 208 O GLU A 16 3.055 -7.076 -5.359 1.00 0.00 O ATOM 209 CB GLU A 16 2.990 -9.191 -2.439 1.00 0.00 C ATOM 210 CG GLU A 16 2.961 -7.924 -1.570 1.00 0.00 C ATOM 211 CD GLU A 16 3.051 -8.270 -0.080 1.00 0.00 C ATOM 212 OE1 GLU A 16 2.294 -9.139 0.399 1.00 0.00 O ATOM 213 OE2 GLU A 16 3.935 -7.711 0.614 1.00 0.00 O ATOM 0 H GLU A 16 4.980 -7.937 -4.031 1.00 0.00 H new ATOM 0 HA GLU A 16 2.807 -9.944 -4.375 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.045 -9.715 -2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.776 -9.841 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.790 -7.272 -1.845 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.043 -7.369 -1.762 1.00 0.00 H new ATOM 220 N THR A 17 1.157 -7.758 -4.379 1.00 0.00 N ATOM 221 CA THR A 17 0.328 -6.710 -4.948 1.00 0.00 C ATOM 222 C THR A 17 -0.482 -6.052 -3.834 1.00 0.00 C ATOM 223 O THR A 17 -0.632 -6.609 -2.739 1.00 0.00 O ATOM 224 CB THR A 17 -0.539 -7.318 -6.068 1.00 0.00 C ATOM 225 OG1 THR A 17 -1.185 -6.302 -6.809 1.00 0.00 O ATOM 226 CG2 THR A 17 -1.595 -8.267 -5.490 1.00 0.00 C ATOM 0 H THR A 17 0.645 -8.404 -3.778 1.00 0.00 H new ATOM 0 HA THR A 17 0.929 -5.922 -5.402 1.00 0.00 H new ATOM 0 HB THR A 17 0.124 -7.879 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 17 -1.729 -6.708 -7.516 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.193 -8.683 -6.301 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.101 -9.076 -4.952 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.242 -7.718 -4.806 1.00 0.00 H new ATOM 234 N MET A 18 -1.047 -4.879 -4.130 1.00 0.00 N ATOM 235 CA MET A 18 -1.870 -4.116 -3.206 1.00 0.00 C ATOM 236 C MET A 18 -3.011 -4.981 -2.680 1.00 0.00 C ATOM 237 O MET A 18 -3.288 -4.970 -1.480 1.00 0.00 O ATOM 238 CB MET A 18 -2.418 -2.877 -3.932 1.00 0.00 C ATOM 239 CG MET A 18 -1.428 -1.713 -3.844 1.00 0.00 C ATOM 240 SD MET A 18 -1.923 -0.386 -2.710 1.00 0.00 S ATOM 241 CE MET A 18 -2.271 -1.315 -1.192 1.00 0.00 C ATOM 0 H MET A 18 -0.939 -4.429 -5.039 1.00 0.00 H new ATOM 0 HA MET A 18 -1.269 -3.797 -2.354 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.611 -3.118 -4.977 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.371 -2.584 -3.492 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.459 -2.100 -3.529 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.294 -1.291 -4.840 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.671 -0.640 -0.436 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.001 -2.097 -1.403 1.00 0.00 H new ATOM 0 HE3 MET A 18 -1.351 -1.768 -0.824 1.00 0.00 H new ATOM 251 N GLU A 19 -3.652 -5.767 -3.549 1.00 0.00 N ATOM 252 CA GLU A 19 -4.755 -6.622 -3.134 1.00 0.00 C ATOM 253 C GLU A 19 -4.323 -7.665 -2.101 1.00 0.00 C ATOM 254 O GLU A 19 -5.138 -8.013 -1.249 1.00 0.00 O ATOM 255 CB GLU A 19 -5.415 -7.329 -4.323 1.00 0.00 C ATOM 256 CG GLU A 19 -6.215 -6.336 -5.166 1.00 0.00 C ATOM 257 CD GLU A 19 -7.331 -7.038 -5.937 1.00 0.00 C ATOM 258 OE1 GLU A 19 -8.333 -7.407 -5.285 1.00 0.00 O ATOM 259 OE2 GLU A 19 -7.238 -7.161 -7.177 1.00 0.00 O ATOM 0 H GLU A 19 -3.423 -5.825 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.485 -5.957 -2.672 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.652 -7.805 -4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -6.072 -8.120 -3.963 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.643 -5.569 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.549 -5.830 -5.865 1.00 0.00 H new ATOM 266 N SER A 20 -3.086 -8.174 -2.147 1.00 0.00 N ATOM 267 CA SER A 20 -2.612 -9.169 -1.185 1.00 0.00 C ATOM 268 C SER A 20 -2.498 -8.542 0.201 1.00 0.00 C ATOM 269 O SER A 20 -2.738 -9.214 1.205 1.00 0.00 O ATOM 270 CB SER A 20 -1.307 -9.818 -1.673 1.00 0.00 C ATOM 271 OG SER A 20 -1.139 -11.128 -1.148 1.00 0.00 O ATOM 0 H SER A 20 -2.393 -7.909 -2.847 1.00 0.00 H new ATOM 0 HA SER A 20 -3.338 -9.978 -1.105 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.308 -9.861 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.461 -9.197 -1.379 1.00 0.00 H new ATOM 0 HG SER A 20 -0.300 -11.509 -1.481 1.00 0.00 H new ATOM 277 N LEU A 21 -2.163 -7.251 0.266 1.00 0.00 N ATOM 278 CA LEU A 21 -2.048 -6.549 1.530 1.00 0.00 C ATOM 279 C LEU A 21 -3.447 -6.326 2.077 1.00 0.00 C ATOM 280 O LEU A 21 -3.751 -6.713 3.202 1.00 0.00 O ATOM 281 CB LEU A 21 -1.396 -5.169 1.346 1.00 0.00 C ATOM 282 CG LEU A 21 -0.055 -5.128 0.609 1.00 0.00 C ATOM 283 CD1 LEU A 21 0.524 -3.735 0.819 1.00 0.00 C ATOM 284 CD2 LEU A 21 0.916 -6.191 1.096 1.00 0.00 C ATOM 0 H LEU A 21 -1.967 -6.674 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.433 -7.147 2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.098 -4.531 0.808 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.255 -4.727 2.332 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.216 -5.340 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.484 -3.659 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.162 -2.991 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.664 -3.556 1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.849 -6.114 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.115 -6.043 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.481 -7.179 0.942 1.00 0.00 H new ATOM 296 N ILE A 22 -4.313 -5.721 1.265 1.00 0.00 N ATOM 297 CA ILE A 22 -5.677 -5.406 1.638 1.00 0.00 C ATOM 298 C ILE A 22 -6.425 -6.660 2.083 1.00 0.00 C ATOM 299 O ILE A 22 -7.111 -6.598 3.098 1.00 0.00 O ATOM 300 CB ILE A 22 -6.394 -4.699 0.474 1.00 0.00 C ATOM 301 CG1 ILE A 22 -5.724 -3.362 0.105 1.00 0.00 C ATOM 302 CG2 ILE A 22 -7.835 -4.452 0.909 1.00 0.00 C ATOM 303 CD1 ILE A 22 -6.272 -2.778 -1.201 1.00 0.00 C ATOM 0 H ILE A 22 -4.075 -5.434 0.315 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.660 -4.724 2.488 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.345 -5.330 -0.413 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.877 -2.646 0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.648 -3.511 0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -8.376 -3.951 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.316 -5.404 1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.844 -3.824 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.768 -1.836 -1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.095 -3.480 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.343 -2.602 -1.100 1.00 0.00 H new ATOM 315 N ASP A 23 -6.305 -7.758 1.336 1.00 0.00 N ATOM 316 CA ASP A 23 -6.949 -9.045 1.623 1.00 0.00 C ATOM 317 C ASP A 23 -6.608 -9.529 3.029 1.00 0.00 C ATOM 318 O ASP A 23 -7.439 -10.139 3.698 1.00 0.00 O ATOM 319 CB ASP A 23 -6.505 -10.080 0.583 1.00 0.00 C ATOM 320 CG ASP A 23 -6.837 -11.521 0.977 1.00 0.00 C ATOM 321 OD1 ASP A 23 -8.037 -11.837 1.106 1.00 0.00 O ATOM 322 OD2 ASP A 23 -5.874 -12.313 1.118 1.00 0.00 O ATOM 0 H ASP A 23 -5.740 -7.779 0.487 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.030 -8.914 1.569 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.982 -9.853 -0.371 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.429 -9.992 0.430 1.00 0.00 H new ATOM 327 N LYS A 24 -5.392 -9.250 3.501 1.00 0.00 N ATOM 328 CA LYS A 24 -5.002 -9.668 4.843 1.00 0.00 C ATOM 329 C LYS A 24 -5.310 -8.563 5.854 1.00 0.00 C ATOM 330 O LYS A 24 -5.369 -8.840 7.047 1.00 0.00 O ATOM 331 CB LYS A 24 -3.493 -10.017 4.812 1.00 0.00 C ATOM 332 CG LYS A 24 -2.554 -9.018 5.523 1.00 0.00 C ATOM 333 CD LYS A 24 -2.404 -9.336 7.028 1.00 0.00 C ATOM 334 CE LYS A 24 -2.651 -8.139 7.969 1.00 0.00 C ATOM 335 NZ LYS A 24 -2.960 -8.555 9.350 1.00 0.00 N ATOM 0 H LYS A 24 -4.673 -8.745 2.983 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.568 -10.546 5.155 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.358 -10.999 5.266 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.181 -10.101 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.573 -9.041 5.048 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.943 -8.007 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.100 -10.134 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.399 -9.719 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.769 -7.499 7.975 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.476 -7.541 7.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.117 -7.713 9.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.818 -9.143 9.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.164 -9.103 9.734 1.00 0.00 H new ATOM 349 N GLY A 25 -5.592 -7.342 5.414 1.00 0.00 N ATOM 350 CA GLY A 25 -5.866 -6.214 6.281 1.00 0.00 C ATOM 351 C GLY A 25 -4.593 -5.428 6.574 1.00 0.00 C ATOM 352 O GLY A 25 -4.431 -4.948 7.694 1.00 0.00 O ATOM 0 H GLY A 25 -5.636 -7.109 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.601 -5.560 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.303 -6.567 7.215 1.00 0.00 H new ATOM 356 N LYS A 26 -3.652 -5.349 5.624 1.00 0.00 N ATOM 357 CA LYS A 26 -2.401 -4.603 5.768 1.00 0.00 C ATOM 358 C LYS A 26 -2.635 -3.208 5.179 1.00 0.00 C ATOM 359 O LYS A 26 -2.164 -2.918 4.081 1.00 0.00 O ATOM 360 CB LYS A 26 -1.190 -5.298 5.111 1.00 0.00 C ATOM 361 CG LYS A 26 -0.381 -6.190 6.057 1.00 0.00 C ATOM 362 CD LYS A 26 0.955 -6.682 5.463 1.00 0.00 C ATOM 363 CE LYS A 26 0.820 -7.940 4.601 1.00 0.00 C ATOM 364 NZ LYS A 26 0.986 -9.199 5.362 1.00 0.00 N ATOM 0 H LYS A 26 -3.743 -5.811 4.719 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.142 -4.545 6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.543 -5.902 4.275 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.530 -4.536 4.697 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.178 -5.639 6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.986 -7.054 6.331 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.390 -5.885 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.652 -6.883 6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.160 -7.940 4.124 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.563 -7.906 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.623 -9.995 4.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.994 -9.351 5.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 0.458 -9.137 6.256 1.00 0.00 H new ATOM 378 N LEU A 27 -3.396 -2.353 5.861 1.00 0.00 N ATOM 379 CA LEU A 27 -3.681 -0.993 5.386 1.00 0.00 C ATOM 380 C LEU A 27 -2.648 0.017 5.893 1.00 0.00 C ATOM 381 O LEU A 27 -2.699 1.188 5.518 1.00 0.00 O ATOM 382 CB LEU A 27 -5.107 -0.532 5.754 1.00 0.00 C ATOM 383 CG LEU A 27 -6.285 -1.324 5.151 1.00 0.00 C ATOM 384 CD1 LEU A 27 -6.083 -1.645 3.668 1.00 0.00 C ATOM 385 CD2 LEU A 27 -6.541 -2.655 5.856 1.00 0.00 C ATOM 0 H LEU A 27 -3.832 -2.579 6.755 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.614 -1.032 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.201 -0.562 6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.212 0.510 5.453 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.138 -0.659 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.942 -2.203 3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.982 -0.717 3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.181 -2.244 3.545 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.382 -3.161 5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.652 -3.282 5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.771 -2.472 6.906 1.00 0.00 H new ATOM 397 N ASP A 28 -1.713 -0.402 6.750 1.00 0.00 N ATOM 398 CA ASP A 28 -0.663 0.469 7.307 1.00 0.00 C ATOM 399 C ASP A 28 0.548 0.440 6.381 1.00 0.00 C ATOM 400 O ASP A 28 1.612 0.971 6.706 1.00 0.00 O ATOM 401 CB ASP A 28 -0.239 0.060 8.732 1.00 0.00 C ATOM 402 CG ASP A 28 -1.164 0.601 9.819 1.00 0.00 C ATOM 403 OD1 ASP A 28 -2.290 0.081 9.999 1.00 0.00 O ATOM 404 OD2 ASP A 28 -0.781 1.580 10.500 1.00 0.00 O ATOM 0 H ASP A 28 -1.659 -1.365 7.083 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.073 1.476 7.377 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.212 -1.028 8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.774 0.416 8.918 1.00 0.00 H new ATOM 409 N GLN A 29 0.433 -0.217 5.231 1.00 0.00 N ATOM 410 CA GLN A 29 1.479 -0.341 4.251 1.00 0.00 C ATOM 411 C GLN A 29 0.859 -0.502 2.870 1.00 0.00 C ATOM 412 O GLN A 29 -0.332 -0.788 2.736 1.00 0.00 O ATOM 413 CB GLN A 29 2.409 -1.495 4.637 1.00 0.00 C ATOM 414 CG GLN A 29 1.746 -2.843 4.922 1.00 0.00 C ATOM 415 CD GLN A 29 2.647 -3.678 5.817 1.00 0.00 C ATOM 416 OE1 GLN A 29 3.921 -3.768 5.487 1.00 0.00 O flip ATOM 417 NE2 GLN A 29 2.225 -4.230 6.822 1.00 0.00 N flip ATOM 0 H GLN A 29 -0.427 -0.691 4.957 1.00 0.00 H new ATOM 0 HA GLN A 29 2.093 0.559 4.221 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.131 -1.634 3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.971 -1.198 5.522 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.780 -2.690 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.556 -3.371 3.987 1.00 0.00 H new ATOM 0 HE21 GLN A 29 1.238 -4.155 7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.859 -4.766 7.414 1.00 0.00 H new ATOM 426 N VAL A 30 1.688 -0.328 1.851 1.00 0.00 N ATOM 427 CA VAL A 30 1.310 -0.426 0.446 1.00 0.00 C ATOM 428 C VAL A 30 2.473 -0.935 -0.404 1.00 0.00 C ATOM 429 O VAL A 30 3.595 -1.026 0.106 1.00 0.00 O ATOM 430 CB VAL A 30 0.895 0.961 -0.070 1.00 0.00 C ATOM 431 CG1 VAL A 30 -0.463 1.407 0.454 1.00 0.00 C ATOM 432 CG2 VAL A 30 1.917 2.056 0.249 1.00 0.00 C ATOM 0 H VAL A 30 2.675 -0.107 1.982 1.00 0.00 H new ATOM 0 HA VAL A 30 0.481 -1.129 0.367 1.00 0.00 H new ATOM 0 HB VAL A 30 0.840 0.833 -1.151 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.701 2.393 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.226 0.695 0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.436 1.453 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.563 3.010 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.044 2.132 1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.873 1.807 -0.212 1.00 0.00 H new ATOM 442 N VAL A 31 2.194 -1.299 -1.668 1.00 0.00 N ATOM 443 CA VAL A 31 3.212 -1.730 -2.605 1.00 0.00 C ATOM 444 C VAL A 31 3.181 -0.772 -3.788 1.00 0.00 C ATOM 445 O VAL A 31 2.116 -0.272 -4.177 1.00 0.00 O ATOM 446 CB VAL A 31 3.172 -3.192 -3.094 1.00 0.00 C ATOM 447 CG1 VAL A 31 2.800 -4.200 -2.036 1.00 0.00 C ATOM 448 CG2 VAL A 31 2.423 -3.480 -4.386 1.00 0.00 C ATOM 0 H VAL A 31 1.251 -1.298 -2.056 1.00 0.00 H new ATOM 0 HA VAL A 31 4.147 -1.703 -2.046 1.00 0.00 H new ATOM 0 HB VAL A 31 4.225 -3.325 -3.344 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.797 -5.200 -2.471 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.526 -4.159 -1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.808 -3.971 -1.648 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.477 -4.546 -4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.380 -3.185 -4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.875 -2.916 -5.202 1.00 0.00 H new ATOM 458 N TYR A 32 4.338 -0.521 -4.372 1.00 0.00 N ATOM 459 CA TYR A 32 4.518 0.339 -5.533 1.00 0.00 C ATOM 460 C TYR A 32 5.859 -0.044 -6.119 1.00 0.00 C ATOM 461 O TYR A 32 6.800 -0.296 -5.370 1.00 0.00 O ATOM 462 CB TYR A 32 4.509 1.827 -5.155 1.00 0.00 C ATOM 463 CG TYR A 32 5.024 2.778 -6.235 1.00 0.00 C ATOM 464 CD1 TYR A 32 4.506 2.747 -7.547 1.00 0.00 C ATOM 465 CD2 TYR A 32 6.112 3.629 -5.952 1.00 0.00 C ATOM 466 CE1 TYR A 32 5.122 3.495 -8.569 1.00 0.00 C ATOM 467 CE2 TYR A 32 6.723 4.389 -6.959 1.00 0.00 C ATOM 468 CZ TYR A 32 6.254 4.290 -8.283 1.00 0.00 C ATOM 469 OH TYR A 32 6.915 4.948 -9.274 1.00 0.00 O ATOM 0 H TYR A 32 5.214 -0.925 -4.040 1.00 0.00 H new ATOM 0 HA TYR A 32 3.701 0.204 -6.241 1.00 0.00 H new ATOM 0 HB2 TYR A 32 3.489 2.114 -4.898 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.113 1.961 -4.258 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.635 2.148 -7.768 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.482 3.697 -4.940 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.728 3.461 -9.574 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.547 5.045 -6.721 1.00 0.00 H new ATOM 0 HH TYR A 32 7.667 5.446 -8.891 1.00 0.00 H new ATOM 479 N ASP A 33 5.936 -0.090 -7.449 1.00 0.00 N ATOM 480 CA ASP A 33 7.143 -0.436 -8.193 1.00 0.00 C ATOM 481 C ASP A 33 7.753 -1.756 -7.677 1.00 0.00 C ATOM 482 O ASP A 33 8.958 -1.942 -7.728 1.00 0.00 O ATOM 483 CB ASP A 33 8.100 0.774 -8.137 1.00 0.00 C ATOM 484 CG ASP A 33 9.374 0.641 -8.975 1.00 0.00 C ATOM 485 OD1 ASP A 33 9.406 -0.128 -9.961 1.00 0.00 O ATOM 486 OD2 ASP A 33 10.336 1.392 -8.679 1.00 0.00 O ATOM 0 H ASP A 33 5.140 0.118 -8.052 1.00 0.00 H new ATOM 0 HA ASP A 33 6.919 -0.633 -9.241 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.558 1.660 -8.468 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.384 0.943 -7.098 1.00 0.00 H new ATOM 491 N ASP A 34 6.889 -2.692 -7.241 1.00 0.00 N ATOM 492 CA ASP A 34 7.167 -4.034 -6.686 1.00 0.00 C ATOM 493 C ASP A 34 7.825 -4.041 -5.297 1.00 0.00 C ATOM 494 O ASP A 34 8.364 -5.053 -4.847 1.00 0.00 O ATOM 495 CB ASP A 34 8.017 -4.881 -7.650 1.00 0.00 C ATOM 496 CG ASP A 34 7.722 -6.371 -7.464 1.00 0.00 C ATOM 497 OD1 ASP A 34 6.519 -6.717 -7.346 1.00 0.00 O ATOM 498 OD2 ASP A 34 8.663 -7.192 -7.531 1.00 0.00 O ATOM 0 H ASP A 34 5.885 -2.513 -7.270 1.00 0.00 H new ATOM 0 HA ASP A 34 6.178 -4.475 -6.564 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.808 -4.589 -8.679 1.00 0.00 H new ATOM 0 HB3 ASP A 34 9.075 -4.690 -7.473 1.00 0.00 H new ATOM 503 N GLN A 35 7.817 -2.898 -4.619 1.00 0.00 N ATOM 504 CA GLN A 35 8.430 -2.678 -3.328 1.00 0.00 C ATOM 505 C GLN A 35 7.360 -2.599 -2.268 1.00 0.00 C ATOM 506 O GLN A 35 6.196 -2.397 -2.587 1.00 0.00 O ATOM 507 CB GLN A 35 9.229 -1.366 -3.364 1.00 0.00 C ATOM 508 CG GLN A 35 10.168 -1.210 -4.573 1.00 0.00 C ATOM 509 CD GLN A 35 10.927 -2.486 -4.918 1.00 0.00 C ATOM 510 OE1 GLN A 35 10.625 -3.251 -5.817 1.00 0.00 O ATOM 511 NE2 GLN A 35 11.925 -2.779 -4.136 1.00 0.00 N ATOM 0 H GLN A 35 7.358 -2.062 -4.980 1.00 0.00 H new ATOM 0 HA GLN A 35 9.102 -3.504 -3.094 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.528 -0.531 -3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.821 -1.293 -2.452 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.584 -0.898 -5.439 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.884 -0.414 -4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 35 12.185 -2.144 -3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.448 -3.643 -4.278 1.00 0.00 H new ATOM 520 N LEU A 36 7.764 -2.713 -1.007 1.00 0.00 N ATOM 521 CA LEU A 36 6.852 -2.678 0.127 1.00 0.00 C ATOM 522 C LEU A 36 7.230 -1.521 1.025 1.00 0.00 C ATOM 523 O LEU A 36 8.380 -1.478 1.485 1.00 0.00 O ATOM 524 CB LEU A 36 6.945 -4.020 0.867 1.00 0.00 C ATOM 525 CG LEU A 36 5.792 -4.325 1.832 1.00 0.00 C ATOM 526 CD1 LEU A 36 4.400 -4.288 1.215 1.00 0.00 C ATOM 527 CD2 LEU A 36 6.011 -5.711 2.418 1.00 0.00 C ATOM 0 H LEU A 36 8.742 -2.833 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 36 5.822 -2.532 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.998 -4.819 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.880 -4.042 1.427 1.00 0.00 H new ATOM 0 HG LEU A 36 5.813 -3.532 2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.657 -4.517 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.208 -3.295 0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.337 -5.026 0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.201 -5.947 3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.029 -6.447 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.961 -5.734 2.953 1.00 0.00 H new ATOM 539 N TYR A 37 6.291 -0.603 1.273 1.00 0.00 N ATOM 540 CA TYR A 37 6.533 0.560 2.118 1.00 0.00 C ATOM 541 C TYR A 37 5.574 0.581 3.306 1.00 0.00 C ATOM 542 O TYR A 37 4.390 0.290 3.142 1.00 0.00 O ATOM 543 CB TYR A 37 6.374 1.877 1.358 1.00 0.00 C ATOM 544 CG TYR A 37 6.949 1.984 -0.036 1.00 0.00 C ATOM 545 CD1 TYR A 37 8.216 1.468 -0.375 1.00 0.00 C ATOM 546 CD2 TYR A 37 6.213 2.703 -0.987 1.00 0.00 C ATOM 547 CE1 TYR A 37 8.748 1.681 -1.665 1.00 0.00 C ATOM 548 CE2 TYR A 37 6.755 2.935 -2.257 1.00 0.00 C ATOM 549 CZ TYR A 37 8.023 2.434 -2.609 1.00 0.00 C ATOM 550 OH TYR A 37 8.541 2.736 -3.832 1.00 0.00 O ATOM 0 H TYR A 37 5.346 -0.649 0.893 1.00 0.00 H new ATOM 0 HA TYR A 37 7.564 0.471 2.461 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.308 2.095 1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.824 2.664 1.963 1.00 0.00 H new ATOM 0 HD1 TYR A 37 8.782 0.908 0.355 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.230 3.077 -0.741 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.710 1.267 -1.928 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.191 3.508 -2.979 1.00 0.00 H new ATOM 0 HH TYR A 37 9.158 2.027 -4.110 1.00 0.00 H new ATOM 560 N HIS A 38 6.063 0.952 4.489 1.00 0.00 N ATOM 561 CA HIS A 38 5.322 1.025 5.736 1.00 0.00 C ATOM 562 C HIS A 38 4.991 2.467 6.024 1.00 0.00 C ATOM 563 O HIS A 38 5.896 3.295 5.997 1.00 0.00 O ATOM 564 CB HIS A 38 6.213 0.516 6.886 1.00 0.00 C ATOM 565 CG HIS A 38 5.614 -0.583 7.729 1.00 0.00 C ATOM 566 ND1 HIS A 38 6.327 -1.490 8.476 1.00 0.00 N ATOM 567 CD2 HIS A 38 4.282 -0.823 7.953 1.00 0.00 C ATOM 568 CE1 HIS A 38 5.456 -2.275 9.118 1.00 0.00 C ATOM 569 NE2 HIS A 38 4.192 -1.929 8.809 1.00 0.00 N ATOM 0 H HIS A 38 7.040 1.223 4.603 1.00 0.00 H new ATOM 0 HA HIS A 38 4.416 0.424 5.654 1.00 0.00 H new ATOM 0 HB2 HIS A 38 7.152 0.157 6.464 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.456 1.357 7.535 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.454 -0.262 7.544 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.728 -3.075 9.791 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.338 -2.382 9.134 1.00 0.00 H new ATOM 577 N LEU A 39 3.725 2.793 6.246 1.00 0.00 N ATOM 578 CA LEU A 39 3.346 4.168 6.574 1.00 0.00 C ATOM 579 C LEU A 39 3.923 4.468 7.965 1.00 0.00 C ATOM 580 O LEU A 39 3.917 3.588 8.825 1.00 0.00 O ATOM 581 CB LEU A 39 1.821 4.336 6.556 1.00 0.00 C ATOM 582 CG LEU A 39 1.156 3.877 5.244 1.00 0.00 C ATOM 583 CD1 LEU A 39 -0.325 4.253 5.279 1.00 0.00 C ATOM 584 CD2 LEU A 39 1.796 4.479 3.988 1.00 0.00 C ATOM 0 H LEU A 39 2.947 2.134 6.207 1.00 0.00 H new ATOM 0 HA LEU A 39 3.741 4.867 5.837 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.394 3.772 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.579 5.385 6.726 1.00 0.00 H new ATOM 0 HG LEU A 39 1.294 2.798 5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.804 3.932 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.805 3.762 6.126 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.424 5.334 5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.276 4.111 3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.722 5.566 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.845 4.188 3.939 1.00 0.00 H new ATOM 596 N LYS A 40 4.401 5.689 8.215 1.00 0.00 N ATOM 597 CA LYS A 40 4.995 6.077 9.506 1.00 0.00 C ATOM 598 C LYS A 40 4.290 7.277 10.085 1.00 0.00 C ATOM 599 O LYS A 40 3.955 7.318 11.267 1.00 0.00 O ATOM 600 CB LYS A 40 6.485 6.411 9.331 1.00 0.00 C ATOM 601 CG LYS A 40 7.287 5.275 8.695 1.00 0.00 C ATOM 602 CD LYS A 40 7.381 4.010 9.570 1.00 0.00 C ATOM 603 CE LYS A 40 8.458 4.222 10.643 1.00 0.00 C ATOM 604 NZ LYS A 40 8.754 3.010 11.435 1.00 0.00 N ATOM 0 H LYS A 40 4.389 6.443 7.528 1.00 0.00 H new ATOM 0 HA LYS A 40 4.884 5.234 10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.580 7.304 8.714 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.914 6.649 10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.831 5.012 7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.294 5.631 8.479 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.419 3.804 10.038 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.628 3.145 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.375 4.564 10.163 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.136 5.016 11.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.489 3.226 12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.891 2.694 11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.091 2.256 10.803 1.00 0.00 H new ATOM 618 N GLU A 41 4.111 8.284 9.246 1.00 0.00 N ATOM 619 CA GLU A 41 3.427 9.508 9.663 1.00 0.00 C ATOM 620 C GLU A 41 2.692 10.167 8.505 1.00 0.00 C ATOM 621 O GLU A 41 2.841 9.765 7.353 1.00 0.00 O ATOM 622 CB GLU A 41 4.424 10.484 10.309 1.00 0.00 C ATOM 623 CG GLU A 41 5.357 11.157 9.303 1.00 0.00 C ATOM 624 CD GLU A 41 6.548 11.807 9.998 1.00 0.00 C ATOM 625 OE1 GLU A 41 7.551 11.091 10.240 1.00 0.00 O ATOM 626 OE2 GLU A 41 6.544 13.035 10.242 1.00 0.00 O ATOM 0 H GLU A 41 4.426 8.284 8.276 1.00 0.00 H new ATOM 0 HA GLU A 41 2.677 9.234 10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.870 11.252 10.849 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.023 9.946 11.044 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.712 10.419 8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.806 11.911 8.741 1.00 0.00 H new ATOM 633 N LYS A 42 1.862 11.156 8.828 1.00 0.00 N ATOM 634 CA LYS A 42 1.088 11.942 7.871 1.00 0.00 C ATOM 635 C LYS A 42 1.895 13.218 7.673 1.00 0.00 C ATOM 636 O LYS A 42 2.560 13.671 8.607 1.00 0.00 O ATOM 637 CB LYS A 42 -0.340 12.176 8.393 1.00 0.00 C ATOM 638 CG LYS A 42 -1.380 12.507 7.302 1.00 0.00 C ATOM 639 CD LYS A 42 -1.484 13.985 6.888 1.00 0.00 C ATOM 640 CE LYS A 42 -2.672 14.676 7.570 1.00 0.00 C ATOM 641 NZ LYS A 42 -2.910 16.031 7.029 1.00 0.00 N ATOM 0 H LYS A 42 1.705 11.441 9.795 1.00 0.00 H new ATOM 0 HA LYS A 42 0.942 11.442 6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.667 11.285 8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.319 12.992 9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.145 11.919 6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.359 12.180 7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.561 14.503 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.593 14.054 5.806 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.568 14.070 7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.487 14.741 8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.721 16.462 7.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -2.064 16.618 7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.112 15.968 6.011 1.00 0.00 H new ATOM 655 N VAL A 43 1.881 13.780 6.476 1.00 0.00 N ATOM 656 CA VAL A 43 2.616 14.986 6.136 1.00 0.00 C ATOM 657 C VAL A 43 1.747 15.867 5.237 1.00 0.00 C ATOM 658 O VAL A 43 0.666 15.454 4.813 1.00 0.00 O ATOM 659 CB VAL A 43 3.945 14.589 5.454 1.00 0.00 C ATOM 660 CG1 VAL A 43 4.868 13.724 6.329 1.00 0.00 C ATOM 661 CG2 VAL A 43 3.724 13.853 4.129 1.00 0.00 C ATOM 0 H VAL A 43 1.345 13.401 5.695 1.00 0.00 H new ATOM 0 HA VAL A 43 2.857 15.561 7.030 1.00 0.00 H new ATOM 0 HB VAL A 43 4.437 15.546 5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.778 13.489 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.125 14.270 7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.356 12.799 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.688 13.596 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.153 12.942 4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.173 14.496 3.443 1.00 0.00 H new ATOM 671 N ASP A 44 2.224 17.074 4.935 1.00 0.00 N ATOM 672 CA ASP A 44 1.513 18.012 4.074 1.00 0.00 C ATOM 673 C ASP A 44 2.026 17.920 2.641 1.00 0.00 C ATOM 674 O ASP A 44 3.015 17.234 2.358 1.00 0.00 O ATOM 675 CB ASP A 44 1.600 19.443 4.613 1.00 0.00 C ATOM 676 CG ASP A 44 0.244 20.096 4.376 1.00 0.00 C ATOM 677 OD1 ASP A 44 -0.013 20.527 3.233 1.00 0.00 O ATOM 678 OD2 ASP A 44 -0.594 20.054 5.303 1.00 0.00 O ATOM 0 H ASP A 44 3.116 17.427 5.282 1.00 0.00 H new ATOM 0 HA ASP A 44 0.459 17.736 4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.845 19.440 5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.389 19.998 4.105 1.00 0.00 H new ATOM 683 N GLU A 45 1.361 18.595 1.711 1.00 0.00 N ATOM 684 CA GLU A 45 1.724 18.611 0.302 1.00 0.00 C ATOM 685 C GLU A 45 2.987 19.421 0.067 1.00 0.00 C ATOM 686 O GLU A 45 3.634 19.262 -0.961 1.00 0.00 O ATOM 687 CB GLU A 45 0.584 19.196 -0.539 1.00 0.00 C ATOM 688 CG GLU A 45 0.356 20.683 -0.240 1.00 0.00 C ATOM 689 CD GLU A 45 -0.847 21.209 -0.988 1.00 0.00 C ATOM 690 OE1 GLU A 45 -1.973 20.766 -0.681 1.00 0.00 O ATOM 691 OE2 GLU A 45 -0.655 22.064 -1.885 1.00 0.00 O ATOM 0 H GLU A 45 0.537 19.158 1.922 1.00 0.00 H new ATOM 0 HA GLU A 45 1.908 17.580 -0.000 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.812 19.070 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.334 18.641 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.212 20.824 0.831 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.241 21.254 -0.521 1.00 0.00 H new ATOM 698 N ASP A 46 3.349 20.296 1.005 1.00 0.00 N ATOM 699 CA ASP A 46 4.538 21.131 0.847 1.00 0.00 C ATOM 700 C ASP A 46 5.787 20.319 1.168 1.00 0.00 C ATOM 701 O ASP A 46 6.913 20.693 0.828 1.00 0.00 O ATOM 702 CB ASP A 46 4.449 22.351 1.767 1.00 0.00 C ATOM 703 CG ASP A 46 3.278 23.270 1.423 1.00 0.00 C ATOM 704 OD1 ASP A 46 3.132 23.689 0.249 1.00 0.00 O ATOM 705 OD2 ASP A 46 2.548 23.647 2.363 1.00 0.00 O ATOM 0 H ASP A 46 2.840 20.444 1.876 1.00 0.00 H new ATOM 0 HA ASP A 46 4.597 21.476 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.350 22.015 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.379 22.916 1.704 1.00 0.00 H new ATOM 710 N LYS A 47 5.602 19.184 1.845 1.00 0.00 N ATOM 711 CA LYS A 47 6.680 18.300 2.246 1.00 0.00 C ATOM 712 C LYS A 47 7.133 17.412 1.096 1.00 0.00 C ATOM 713 O LYS A 47 8.225 16.853 1.162 1.00 0.00 O ATOM 714 CB LYS A 47 6.245 17.445 3.444 1.00 0.00 C ATOM 715 CG LYS A 47 5.412 18.195 4.495 1.00 0.00 C ATOM 716 CD LYS A 47 6.044 19.490 5.023 1.00 0.00 C ATOM 717 CE LYS A 47 5.570 19.782 6.448 1.00 0.00 C ATOM 718 NZ LYS A 47 6.194 18.872 7.433 1.00 0.00 N ATOM 0 H LYS A 47 4.680 18.854 2.131 1.00 0.00 H new ATOM 0 HA LYS A 47 7.529 18.918 2.539 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.666 16.597 3.078 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.134 17.039 3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.440 18.433 4.063 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.232 17.527 5.337 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.130 19.403 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.781 20.322 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.808 20.814 6.706 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.486 19.683 6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.100 19.276 8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.720 17.947 7.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.202 18.752 7.205 1.00 0.00 H new ATOM 732 N LYS A 48 6.326 17.266 0.047 1.00 0.00 N ATOM 733 CA LYS A 48 6.695 16.438 -1.088 1.00 0.00 C ATOM 734 C LYS A 48 7.953 17.019 -1.716 1.00 0.00 C ATOM 735 O LYS A 48 7.981 18.205 -2.051 1.00 0.00 O ATOM 736 CB LYS A 48 5.524 16.315 -2.074 1.00 0.00 C ATOM 737 CG LYS A 48 5.294 17.549 -2.952 1.00 0.00 C ATOM 738 CD LYS A 48 3.934 17.527 -3.652 1.00 0.00 C ATOM 739 CE LYS A 48 3.544 18.881 -4.245 1.00 0.00 C ATOM 740 NZ LYS A 48 4.660 19.512 -4.982 1.00 0.00 N ATOM 0 H LYS A 48 5.413 17.713 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 48 6.916 15.420 -0.769 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.699 15.454 -2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.613 16.111 -1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.368 18.446 -2.338 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.083 17.610 -3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.953 16.781 -4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.170 17.215 -2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.696 18.750 -4.917 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.218 19.545 -3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.301 20.318 -5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.377 19.846 -4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.088 18.816 -5.626 1.00 0.00 H new ATOM 754 N GLY A 49 8.979 16.196 -1.890 1.00 0.00 N ATOM 755 CA GLY A 49 10.218 16.644 -2.502 1.00 0.00 C ATOM 756 C GLY A 49 10.104 16.655 -4.019 1.00 0.00 C ATOM 757 O GLY A 49 10.798 17.422 -4.684 1.00 0.00 O ATOM 0 H GLY A 49 8.975 15.214 -1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.463 17.644 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.035 15.989 -2.200 1.00 0.00 H new ATOM 761 N LYS A 50 9.207 15.828 -4.573 1.00 0.00 N ATOM 762 CA LYS A 50 8.926 15.633 -5.997 1.00 0.00 C ATOM 763 C LYS A 50 8.010 14.427 -6.155 1.00 0.00 C ATOM 764 O LYS A 50 7.905 13.631 -5.225 1.00 0.00 O ATOM 765 CB LYS A 50 10.239 15.285 -6.737 1.00 0.00 C ATOM 766 CG LYS A 50 10.982 14.091 -6.094 1.00 0.00 C ATOM 767 CD LYS A 50 12.348 13.762 -6.690 1.00 0.00 C ATOM 768 CE LYS A 50 12.273 13.068 -8.054 1.00 0.00 C ATOM 769 NZ LYS A 50 11.908 13.986 -9.151 1.00 0.00 N ATOM 0 H LYS A 50 8.616 15.234 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 50 8.475 16.541 -6.398 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.015 15.051 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.893 16.157 -6.740 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.110 14.296 -5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.349 13.207 -6.174 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.922 14.683 -6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 50 12.893 13.122 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.237 12.611 -8.276 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.542 12.261 -8.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.483 13.770 -9.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.901 13.868 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.083 14.968 -8.855 1.00 0.00 H new ATOM 783 N VAL A 51 7.352 14.273 -7.298 1.00 0.00 N ATOM 784 CA VAL A 51 6.505 13.123 -7.595 1.00 0.00 C ATOM 785 C VAL A 51 7.470 12.077 -8.161 1.00 0.00 C ATOM 786 O VAL A 51 8.528 12.398 -8.720 1.00 0.00 O ATOM 787 CB VAL A 51 5.381 13.527 -8.572 1.00 0.00 C ATOM 788 CG1 VAL A 51 4.786 12.365 -9.380 1.00 0.00 C ATOM 789 CG2 VAL A 51 4.221 14.156 -7.805 1.00 0.00 C ATOM 0 H VAL A 51 7.392 14.954 -8.056 1.00 0.00 H new ATOM 0 HA VAL A 51 5.981 12.724 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 51 5.859 14.218 -9.266 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.004 12.743 -10.039 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.569 11.898 -9.977 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.361 11.628 -8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.433 14.438 -8.504 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.828 13.437 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.572 15.043 -7.277 1.00 0.00 H new ATOM 799 N ILE A 52 7.121 10.803 -8.013 1.00 0.00 N ATOM 800 CA ILE A 52 7.909 9.676 -8.515 1.00 0.00 C ATOM 801 C ILE A 52 6.990 8.655 -9.186 1.00 0.00 C ATOM 802 O ILE A 52 7.362 8.057 -10.193 1.00 0.00 O ATOM 803 CB ILE A 52 8.798 9.056 -7.410 1.00 0.00 C ATOM 804 CG1 ILE A 52 8.004 8.728 -6.125 1.00 0.00 C ATOM 805 CG2 ILE A 52 9.978 9.997 -7.098 1.00 0.00 C ATOM 806 CD1 ILE A 52 8.801 7.910 -5.111 1.00 0.00 C ATOM 0 H ILE A 52 6.268 10.517 -7.533 1.00 0.00 H new ATOM 0 HA ILE A 52 8.602 10.042 -9.273 1.00 0.00 H new ATOM 0 HB ILE A 52 9.180 8.108 -7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.683 9.659 -5.658 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.102 8.179 -6.395 1.00 0.00 H new ATOM 0 HG21 ILE A 52 10.600 9.555 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.574 10.144 -7.999 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.596 10.958 -6.755 1.00 0.00 H new ATOM 0 HD11 ILE A 52 8.183 7.716 -4.234 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.099 6.963 -5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.690 8.466 -4.813 1.00 0.00 H new ATOM 818 N GLY A 53 5.755 8.525 -8.702 1.00 0.00 N ATOM 819 CA GLY A 53 4.780 7.585 -9.232 1.00 0.00 C ATOM 820 C GLY A 53 3.397 7.952 -8.729 1.00 0.00 C ATOM 821 O GLY A 53 3.224 9.037 -8.179 1.00 0.00 O ATOM 0 H GLY A 53 5.404 9.079 -7.921 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.798 7.602 -10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.033 6.570 -8.924 1.00 0.00 H new ATOM 825 N ALA A 54 2.413 7.089 -8.930 1.00 0.00 N ATOM 826 CA ALA A 54 1.028 7.200 -8.530 1.00 0.00 C ATOM 827 C ALA A 54 0.428 5.812 -8.335 1.00 0.00 C ATOM 828 O ALA A 54 0.573 4.978 -9.228 1.00 0.00 O ATOM 829 CB ALA A 54 0.235 7.929 -9.617 1.00 0.00 C ATOM 0 H ALA A 54 2.586 6.213 -9.424 1.00 0.00 H new ATOM 0 HA ALA A 54 0.978 7.756 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.808 8.011 -9.313 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.650 8.926 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.298 7.369 -10.550 1.00 0.00 H new ATOM 835 N ILE A 55 -0.205 5.544 -7.188 1.00 0.00 N ATOM 836 CA ILE A 55 -0.833 4.244 -6.966 1.00 0.00 C ATOM 837 C ILE A 55 -2.159 4.304 -7.736 1.00 0.00 C ATOM 838 O ILE A 55 -2.391 3.499 -8.635 1.00 0.00 O ATOM 839 CB ILE A 55 -0.973 3.968 -5.449 1.00 0.00 C ATOM 840 CG1 ILE A 55 0.408 3.613 -4.862 1.00 0.00 C ATOM 841 CG2 ILE A 55 -1.971 2.851 -5.125 1.00 0.00 C ATOM 842 CD1 ILE A 55 0.355 3.323 -3.360 1.00 0.00 C ATOM 0 H ILE A 55 -0.294 6.200 -6.412 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.245 3.402 -7.332 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.364 4.879 -4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.806 2.742 -5.382 1.00 0.00 H new ATOM 0 HG13 ILE A 55 1.098 4.436 -5.045 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.021 2.709 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.957 3.124 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.646 1.924 -5.598 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.355 3.079 -3.001 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.016 4.202 -2.833 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.312 2.481 -3.175 1.00 0.00 H new ATOM 854 N GLY A 56 -3.031 5.266 -7.410 1.00 0.00 N ATOM 855 CA GLY A 56 -4.329 5.483 -8.051 1.00 0.00 C ATOM 856 C GLY A 56 -5.314 4.315 -8.010 1.00 0.00 C ATOM 857 O GLY A 56 -6.380 4.411 -8.623 1.00 0.00 O ATOM 0 H GLY A 56 -2.843 5.938 -6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.802 6.345 -7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.155 5.746 -9.094 1.00 0.00 H new ATOM 861 N GLN A 57 -4.990 3.211 -7.341 1.00 0.00 N ATOM 862 CA GLN A 57 -5.852 2.048 -7.246 1.00 0.00 C ATOM 863 C GLN A 57 -7.032 2.373 -6.327 1.00 0.00 C ATOM 864 O GLN A 57 -7.051 3.389 -5.621 1.00 0.00 O ATOM 865 CB GLN A 57 -5.049 0.831 -6.748 1.00 0.00 C ATOM 866 CG GLN A 57 -3.784 0.572 -7.595 1.00 0.00 C ATOM 867 CD GLN A 57 -3.354 -0.895 -7.607 1.00 0.00 C ATOM 868 OE1 GLN A 57 -4.136 -1.769 -7.957 1.00 0.00 O ATOM 869 NE2 GLN A 57 -2.114 -1.220 -7.276 1.00 0.00 N ATOM 0 H GLN A 57 -4.106 3.103 -6.844 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.247 1.791 -8.229 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.761 0.990 -5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.685 -0.054 -6.770 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -3.968 0.898 -8.619 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.966 1.180 -7.209 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.458 -0.496 -6.984 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.815 -2.194 -7.313 1.00 0.00 H new ATOM 878 N THR A 58 -8.069 1.545 -6.341 1.00 0.00 N ATOM 879 CA THR A 58 -9.237 1.727 -5.491 1.00 0.00 C ATOM 880 C THR A 58 -9.858 0.364 -5.263 1.00 0.00 C ATOM 881 O THR A 58 -10.148 -0.339 -6.233 1.00 0.00 O ATOM 882 CB THR A 58 -10.270 2.692 -6.083 1.00 0.00 C ATOM 883 OG1 THR A 58 -9.670 3.915 -6.473 1.00 0.00 O ATOM 884 CG2 THR A 58 -11.349 3.055 -5.061 1.00 0.00 C ATOM 0 H THR A 58 -8.123 0.725 -6.945 1.00 0.00 H new ATOM 0 HA THR A 58 -8.915 2.179 -4.553 1.00 0.00 H new ATOM 0 HB THR A 58 -10.701 2.174 -6.940 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.353 4.509 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.064 3.741 -5.515 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.866 2.150 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.886 3.533 -4.198 1.00 0.00 H new ATOM 892 N PHE A 59 -10.060 -0.003 -4.000 1.00 0.00 N ATOM 893 CA PHE A 59 -10.638 -1.288 -3.639 1.00 0.00 C ATOM 894 C PHE A 59 -11.638 -1.127 -2.499 1.00 0.00 C ATOM 895 O PHE A 59 -11.786 -0.035 -1.953 1.00 0.00 O ATOM 896 CB PHE A 59 -9.522 -2.253 -3.219 1.00 0.00 C ATOM 897 CG PHE A 59 -8.497 -2.548 -4.291 1.00 0.00 C ATOM 898 CD1 PHE A 59 -8.831 -3.388 -5.368 1.00 0.00 C ATOM 899 CD2 PHE A 59 -7.202 -2.004 -4.206 1.00 0.00 C ATOM 900 CE1 PHE A 59 -7.875 -3.685 -6.351 1.00 0.00 C ATOM 901 CE2 PHE A 59 -6.233 -2.341 -5.163 1.00 0.00 C ATOM 902 CZ PHE A 59 -6.576 -3.163 -6.248 1.00 0.00 C ATOM 0 H PHE A 59 -9.826 0.585 -3.200 1.00 0.00 H new ATOM 0 HA PHE A 59 -11.163 -1.691 -4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -9.009 -1.837 -2.352 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.975 -3.192 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -9.825 -3.805 -5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.954 -1.326 -3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.139 -4.316 -7.187 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.224 -1.968 -5.065 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.840 -3.394 -7.004 1.00 0.00 H new ATOM 912 N PHE A 60 -12.305 -2.219 -2.122 1.00 0.00 N ATOM 913 CA PHE A 60 -13.273 -2.249 -1.033 1.00 0.00 C ATOM 914 C PHE A 60 -13.094 -3.516 -0.202 1.00 0.00 C ATOM 915 O PHE A 60 -12.726 -4.559 -0.766 1.00 0.00 O ATOM 916 CB PHE A 60 -14.711 -2.250 -1.563 1.00 0.00 C ATOM 917 CG PHE A 60 -15.105 -1.075 -2.425 1.00 0.00 C ATOM 918 CD1 PHE A 60 -14.827 -1.102 -3.802 1.00 0.00 C ATOM 919 CD2 PHE A 60 -15.780 0.027 -1.868 1.00 0.00 C ATOM 920 CE1 PHE A 60 -15.192 -0.014 -4.607 1.00 0.00 C ATOM 921 CE2 PHE A 60 -16.222 1.073 -2.689 1.00 0.00 C ATOM 922 CZ PHE A 60 -15.910 1.064 -4.059 1.00 0.00 C ATOM 0 H PHE A 60 -12.182 -3.124 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.101 -1.358 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -14.863 -3.163 -2.138 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -15.390 -2.293 -0.711 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.334 -1.958 -4.239 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.958 0.067 -0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.921 -0.004 -5.652 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.800 1.883 -2.270 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.221 1.883 -4.690 1.00 0.00 H new ATOM 932 N VAL A 61 -13.386 -3.427 1.100 1.00 0.00 N ATOM 933 CA VAL A 61 -13.319 -4.533 2.048 1.00 0.00 C ATOM 934 C VAL A 61 -14.542 -4.475 2.963 1.00 0.00 C ATOM 935 O VAL A 61 -15.247 -3.462 3.022 1.00 0.00 O ATOM 936 CB VAL A 61 -12.018 -4.595 2.862 1.00 0.00 C ATOM 937 CG1 VAL A 61 -10.808 -4.818 1.970 1.00 0.00 C ATOM 938 CG2 VAL A 61 -11.811 -3.353 3.710 1.00 0.00 C ATOM 0 H VAL A 61 -13.685 -2.553 1.532 1.00 0.00 H new ATOM 0 HA VAL A 61 -13.320 -5.454 1.465 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.121 -5.449 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -9.907 -4.856 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -10.921 -5.759 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -10.727 -3.999 1.255 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.878 -3.444 4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.764 -2.476 3.065 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -12.641 -3.246 4.408 1.00 0.00 H new ATOM 948 N ASP A 62 -14.787 -5.569 3.669 1.00 0.00 N ATOM 949 CA ASP A 62 -15.891 -5.761 4.600 1.00 0.00 C ATOM 950 C ASP A 62 -15.456 -5.562 6.055 1.00 0.00 C ATOM 951 O ASP A 62 -14.336 -5.127 6.349 1.00 0.00 O ATOM 952 CB ASP A 62 -16.525 -7.140 4.349 1.00 0.00 C ATOM 953 CG ASP A 62 -15.594 -8.312 4.621 1.00 0.00 C ATOM 954 OD1 ASP A 62 -14.661 -8.171 5.443 1.00 0.00 O ATOM 955 OD2 ASP A 62 -15.762 -9.345 3.945 1.00 0.00 O ATOM 0 H ASP A 62 -14.188 -6.392 3.605 1.00 0.00 H new ATOM 0 HA ASP A 62 -16.648 -4.998 4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -17.410 -7.240 4.977 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -16.861 -7.190 3.313 1.00 0.00 H new ATOM 960 N GLY A 63 -16.371 -5.847 6.982 1.00 0.00 N ATOM 961 CA GLY A 63 -16.163 -5.723 8.414 1.00 0.00 C ATOM 962 C GLY A 63 -15.124 -6.678 8.983 1.00 0.00 C ATOM 963 O GLY A 63 -14.720 -6.469 10.128 1.00 0.00 O ATOM 0 H GLY A 63 -17.305 -6.181 6.743 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -15.860 -4.700 8.638 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -17.112 -5.893 8.923 1.00 0.00 H new ATOM 967 N ASP A 64 -14.746 -7.734 8.255 1.00 0.00 N ATOM 968 CA ASP A 64 -13.740 -8.700 8.710 1.00 0.00 C ATOM 969 C ASP A 64 -12.388 -8.363 8.074 1.00 0.00 C ATOM 970 O ASP A 64 -11.336 -8.707 8.617 1.00 0.00 O ATOM 971 CB ASP A 64 -14.170 -10.140 8.395 1.00 0.00 C ATOM 972 CG ASP A 64 -13.156 -11.142 8.960 1.00 0.00 C ATOM 973 OD1 ASP A 64 -13.148 -11.312 10.200 1.00 0.00 O ATOM 974 OD2 ASP A 64 -12.376 -11.753 8.190 1.00 0.00 O ATOM 0 H ASP A 64 -15.129 -7.943 7.333 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.643 -8.631 9.794 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -15.155 -10.332 8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -14.257 -10.272 7.316 1.00 0.00 H new ATOM 979 N GLY A 65 -12.394 -7.601 6.979 1.00 0.00 N ATOM 980 CA GLY A 65 -11.217 -7.169 6.253 1.00 0.00 C ATOM 981 C GLY A 65 -10.944 -8.003 5.011 1.00 0.00 C ATOM 982 O GLY A 65 -9.776 -8.137 4.652 1.00 0.00 O ATOM 0 H GLY A 65 -13.260 -7.258 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.339 -6.125 5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.351 -7.218 6.914 1.00 0.00 H new ATOM 986 N LYS A 66 -11.958 -8.609 4.392 1.00 0.00 N ATOM 987 CA LYS A 66 -11.789 -9.418 3.186 1.00 0.00 C ATOM 988 C LYS A 66 -12.098 -8.530 1.995 1.00 0.00 C ATOM 989 O LYS A 66 -12.880 -7.583 2.108 1.00 0.00 O ATOM 990 CB LYS A 66 -12.728 -10.630 3.205 1.00 0.00 C ATOM 991 CG LYS A 66 -12.317 -11.760 4.162 1.00 0.00 C ATOM 992 CD LYS A 66 -11.365 -12.803 3.549 1.00 0.00 C ATOM 993 CE LYS A 66 -9.923 -12.326 3.374 1.00 0.00 C ATOM 994 NZ LYS A 66 -9.276 -11.945 4.641 1.00 0.00 N ATOM 0 H LYS A 66 -12.924 -8.552 4.715 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.769 -9.799 3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -13.728 -10.291 3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -12.792 -11.036 2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.839 -11.321 5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.216 -12.268 4.511 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.365 -13.691 4.181 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.755 -13.103 2.576 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.341 -13.117 2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.910 -11.472 2.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.362 -11.490 4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.888 -11.281 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -9.121 -12.794 5.221 1.00 0.00 H new ATOM 1008 N ARG A 67 -11.413 -8.757 0.879 1.00 0.00 N ATOM 1009 CA ARG A 67 -11.577 -8.020 -0.355 1.00 0.00 C ATOM 1010 C ARG A 67 -12.908 -8.402 -0.969 1.00 0.00 C ATOM 1011 O ARG A 67 -13.210 -9.579 -1.121 1.00 0.00 O ATOM 1012 CB ARG A 67 -10.417 -8.383 -1.294 1.00 0.00 C ATOM 1013 CG ARG A 67 -9.260 -7.381 -1.192 1.00 0.00 C ATOM 1014 CD ARG A 67 -9.590 -6.052 -1.881 1.00 0.00 C ATOM 1015 NE ARG A 67 -9.824 -6.290 -3.304 1.00 0.00 N ATOM 1016 CZ ARG A 67 -10.880 -6.015 -4.069 1.00 0.00 C ATOM 1017 NH1 ARG A 67 -11.962 -5.400 -3.591 1.00 0.00 N ATOM 1018 NH2 ARG A 67 -10.828 -6.360 -5.344 1.00 0.00 N ATOM 0 H ARG A 67 -10.704 -9.487 0.814 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.566 -6.944 -0.179 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.054 -9.382 -1.052 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.779 -8.415 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.030 -7.198 -0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.366 -7.812 -1.644 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.473 -5.603 -1.426 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.769 -5.347 -1.749 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.051 -6.741 -3.793 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.000 -5.124 -2.610 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -12.752 -5.206 -4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.997 -6.822 -5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.619 -6.164 -5.958 1.00 0.00 H new ATOM 1032 N TRP A 68 -13.706 -7.399 -1.322 1.00 0.00 N ATOM 1033 CA TRP A 68 -14.998 -7.640 -1.942 1.00 0.00 C ATOM 1034 C TRP A 68 -14.786 -8.246 -3.334 1.00 0.00 C ATOM 1035 O TRP A 68 -13.824 -7.890 -4.026 1.00 0.00 O ATOM 1036 CB TRP A 68 -15.776 -6.324 -2.035 1.00 0.00 C ATOM 1037 CG TRP A 68 -16.625 -6.007 -0.844 1.00 0.00 C ATOM 1038 CD1 TRP A 68 -16.202 -5.828 0.429 1.00 0.00 C ATOM 1039 CD2 TRP A 68 -18.079 -5.957 -0.783 1.00 0.00 C ATOM 1040 NE1 TRP A 68 -17.284 -5.562 1.243 1.00 0.00 N ATOM 1041 CE2 TRP A 68 -18.474 -5.674 0.556 1.00 0.00 C ATOM 1042 CE3 TRP A 68 -19.107 -6.174 -1.722 1.00 0.00 C ATOM 1043 CZ2 TRP A 68 -19.821 -5.573 0.935 1.00 0.00 C ATOM 1044 CZ3 TRP A 68 -20.458 -6.080 -1.352 1.00 0.00 C ATOM 1045 CH2 TRP A 68 -20.821 -5.768 -0.030 1.00 0.00 C ATOM 0 H TRP A 68 -13.478 -6.414 -1.188 1.00 0.00 H new ATOM 0 HA TRP A 68 -15.576 -8.340 -1.339 1.00 0.00 H new ATOM 0 HB2 TRP A 68 -15.067 -5.510 -2.184 1.00 0.00 H new ATOM 0 HB3 TRP A 68 -16.413 -6.358 -2.919 1.00 0.00 H new ATOM 0 HD1 TRP A 68 -15.175 -5.885 0.758 1.00 0.00 H new ATOM 0 HE1 TRP A 68 -17.212 -5.314 2.230 1.00 0.00 H new ATOM 0 HE3 TRP A 68 -18.851 -6.417 -2.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -20.085 -5.348 1.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -21.227 -6.249 -2.091 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -21.863 -5.679 0.241 1.00 0.00 H new ATOM 1056 N SER A 69 -15.665 -9.161 -3.732 1.00 0.00 N ATOM 1057 CA SER A 69 -15.620 -9.826 -5.030 1.00 0.00 C ATOM 1058 C SER A 69 -16.226 -8.858 -6.051 1.00 0.00 C ATOM 1059 O SER A 69 -17.224 -8.205 -5.745 1.00 0.00 O ATOM 1060 CB SER A 69 -16.420 -11.128 -4.912 1.00 0.00 C ATOM 1061 OG SER A 69 -16.168 -12.031 -5.969 1.00 0.00 O ATOM 0 H SER A 69 -16.444 -9.467 -3.149 1.00 0.00 H new ATOM 0 HA SER A 69 -14.609 -10.080 -5.350 1.00 0.00 H new ATOM 0 HB2 SER A 69 -16.180 -11.611 -3.965 1.00 0.00 H new ATOM 0 HB3 SER A 69 -17.484 -10.893 -4.889 1.00 0.00 H new ATOM 0 HG SER A 69 -16.703 -12.842 -5.841 1.00 0.00 H new ATOM 1067 N GLU A 70 -15.678 -8.754 -7.267 1.00 0.00 N ATOM 1068 CA GLU A 70 -16.209 -7.831 -8.276 1.00 0.00 C ATOM 1069 C GLU A 70 -17.669 -8.117 -8.651 1.00 0.00 C ATOM 1070 O GLU A 70 -18.389 -7.207 -9.069 1.00 0.00 O ATOM 1071 CB GLU A 70 -15.308 -7.765 -9.515 1.00 0.00 C ATOM 1072 CG GLU A 70 -13.968 -7.084 -9.193 1.00 0.00 C ATOM 1073 CD GLU A 70 -13.320 -6.510 -10.450 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -13.672 -5.364 -10.817 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -12.445 -7.159 -11.056 1.00 0.00 O ATOM 0 H GLU A 70 -14.870 -9.295 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 70 -16.206 -6.845 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.126 -8.772 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.816 -7.217 -10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.128 -6.286 -8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -13.294 -7.805 -8.731 1.00 0.00 H new ATOM 1082 N GLU A 71 -18.122 -9.355 -8.483 1.00 0.00 N ATOM 1083 CA GLU A 71 -19.485 -9.775 -8.766 1.00 0.00 C ATOM 1084 C GLU A 71 -20.426 -9.101 -7.762 1.00 0.00 C ATOM 1085 O GLU A 71 -21.407 -8.474 -8.139 1.00 0.00 O ATOM 1086 CB GLU A 71 -19.575 -11.299 -8.648 1.00 0.00 C ATOM 1087 CG GLU A 71 -18.641 -12.007 -9.637 1.00 0.00 C ATOM 1088 CD GLU A 71 -18.719 -13.520 -9.479 1.00 0.00 C ATOM 1089 OE1 GLU A 71 -19.709 -14.130 -9.936 1.00 0.00 O ATOM 1090 OE2 GLU A 71 -17.816 -14.097 -8.827 1.00 0.00 O ATOM 0 H GLU A 71 -17.533 -10.113 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 71 -19.773 -9.484 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -19.322 -11.600 -7.631 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -20.602 -11.617 -8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -18.909 -11.731 -10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -17.616 -11.674 -9.476 1.00 0.00 H new ATOM 1097 N GLU A 72 -20.090 -9.171 -6.474 1.00 0.00 N ATOM 1098 CA GLU A 72 -20.833 -8.610 -5.346 1.00 0.00 C ATOM 1099 C GLU A 72 -20.952 -7.089 -5.468 1.00 0.00 C ATOM 1100 O GLU A 72 -21.848 -6.467 -4.891 1.00 0.00 O ATOM 1101 CB GLU A 72 -20.122 -8.987 -4.044 1.00 0.00 C ATOM 1102 CG GLU A 72 -20.001 -10.506 -3.851 1.00 0.00 C ATOM 1103 CD GLU A 72 -21.236 -11.155 -3.233 1.00 0.00 C ATOM 1104 OE1 GLU A 72 -21.634 -10.699 -2.137 1.00 0.00 O ATOM 1105 OE2 GLU A 72 -21.642 -12.223 -3.733 1.00 0.00 O ATOM 0 H GLU A 72 -19.241 -9.649 -6.172 1.00 0.00 H new ATOM 0 HA GLU A 72 -21.843 -9.021 -5.346 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -19.126 -8.544 -4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -20.666 -8.560 -3.201 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -19.805 -10.970 -4.818 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -19.139 -10.714 -3.217 1.00 0.00 H new ATOM 1112 N LEU A 73 -20.012 -6.469 -6.186 1.00 0.00 N ATOM 1113 CA LEU A 73 -20.002 -5.033 -6.412 1.00 0.00 C ATOM 1114 C LEU A 73 -21.060 -4.637 -7.445 1.00 0.00 C ATOM 1115 O LEU A 73 -21.408 -3.460 -7.505 1.00 0.00 O ATOM 1116 CB LEU A 73 -18.598 -4.543 -6.790 1.00 0.00 C ATOM 1117 CG LEU A 73 -17.575 -4.799 -5.669 1.00 0.00 C ATOM 1118 CD1 LEU A 73 -16.176 -4.440 -6.146 1.00 0.00 C ATOM 1119 CD2 LEU A 73 -17.862 -4.008 -4.393 1.00 0.00 C ATOM 0 H LEU A 73 -19.234 -6.959 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.266 -4.534 -5.480 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -18.272 -5.046 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -18.634 -3.476 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.653 -5.860 -5.430 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -15.460 -4.625 -5.345 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.919 -5.051 -7.011 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -16.146 -3.386 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -17.103 -4.236 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -17.844 -2.941 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -18.844 -4.282 -4.008 1.00 0.00 H new ATOM 1131 N LYS A 74 -21.559 -5.572 -8.264 1.00 0.00 N ATOM 1132 CA LYS A 74 -22.596 -5.275 -9.262 1.00 0.00 C ATOM 1133 C LYS A 74 -23.981 -5.202 -8.600 1.00 0.00 C ATOM 1134 O LYS A 74 -24.910 -4.648 -9.195 1.00 0.00 O ATOM 1135 CB LYS A 74 -22.546 -6.288 -10.432 1.00 0.00 C ATOM 1136 CG LYS A 74 -23.472 -7.516 -10.307 1.00 0.00 C ATOM 1137 CD LYS A 74 -23.105 -8.662 -11.266 1.00 0.00 C ATOM 1138 CE LYS A 74 -23.417 -8.283 -12.722 1.00 0.00 C ATOM 1139 NZ LYS A 74 -23.607 -9.459 -13.602 1.00 0.00 N ATOM 0 H LYS A 74 -21.259 -6.547 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.398 -4.293 -9.692 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.797 -5.761 -11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -21.520 -6.641 -10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -23.436 -7.885 -9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -24.500 -7.207 -10.499 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -22.046 -8.899 -11.167 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -23.659 -9.560 -10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -24.318 -7.670 -12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -22.604 -7.671 -13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -23.814 -9.139 -14.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -22.740 -10.033 -13.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -24.400 -10.032 -13.250 1.00 0.00 H new ATOM 1321 N ARG A 86 -23.239 -6.591 3.704 1.00 0.00 N ATOM 1322 CA ARG A 86 -22.291 -6.159 4.715 1.00 0.00 C ATOM 1323 C ARG A 86 -21.747 -4.776 4.399 1.00 0.00 C ATOM 1324 O ARG A 86 -21.985 -4.216 3.325 1.00 0.00 O ATOM 1325 CB ARG A 86 -21.155 -7.203 4.733 1.00 0.00 C ATOM 1326 CG ARG A 86 -20.512 -7.385 6.111 1.00 0.00 C ATOM 1327 CD ARG A 86 -21.026 -8.639 6.823 1.00 0.00 C ATOM 1328 NE ARG A 86 -20.342 -8.779 8.112 1.00 0.00 N ATOM 1329 CZ ARG A 86 -20.751 -8.269 9.277 1.00 0.00 C ATOM 1330 NH1 ARG A 86 -21.966 -7.748 9.445 1.00 0.00 N ATOM 1331 NH2 ARG A 86 -19.898 -8.274 10.286 1.00 0.00 N ATOM 0 HA ARG A 86 -22.773 -6.089 5.690 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -21.548 -8.162 4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -20.387 -6.904 4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.430 -7.449 6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -20.718 -6.509 6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -22.103 -8.569 6.976 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -20.848 -9.520 6.206 1.00 0.00 H new ATOM 0 HE ARG A 86 -19.474 -9.315 8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -22.625 -7.728 8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -22.237 -7.369 10.352 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.962 -8.659 10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.176 -7.893 11.190 1.00 0.00 H new ATOM 1345 N GLU A 87 -21.016 -4.217 5.355 1.00 0.00 N ATOM 1346 CA GLU A 87 -20.370 -2.924 5.227 1.00 0.00 C ATOM 1347 C GLU A 87 -19.359 -3.005 4.090 1.00 0.00 C ATOM 1348 O GLU A 87 -18.779 -4.062 3.828 1.00 0.00 O ATOM 1349 CB GLU A 87 -19.677 -2.545 6.541 1.00 0.00 C ATOM 1350 CG GLU A 87 -18.620 -3.559 7.006 1.00 0.00 C ATOM 1351 CD GLU A 87 -18.517 -3.608 8.526 1.00 0.00 C ATOM 1352 OE1 GLU A 87 -17.715 -2.832 9.106 1.00 0.00 O ATOM 1353 OE2 GLU A 87 -19.174 -4.478 9.143 1.00 0.00 O ATOM 0 H GLU A 87 -20.854 -4.662 6.259 1.00 0.00 H new ATOM 0 HA GLU A 87 -21.110 -2.155 5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -19.203 -1.571 6.422 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -20.432 -2.439 7.320 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -18.873 -4.549 6.626 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -17.651 -3.294 6.584 1.00 0.00 H new ATOM 1360 N LYS A 88 -19.099 -1.871 3.446 1.00 0.00 N ATOM 1361 CA LYS A 88 -18.171 -1.811 2.323 1.00 0.00 C ATOM 1362 C LYS A 88 -17.302 -0.570 2.467 1.00 0.00 C ATOM 1363 O LYS A 88 -17.730 0.541 2.142 1.00 0.00 O ATOM 1364 CB LYS A 88 -19.012 -1.878 1.043 1.00 0.00 C ATOM 1365 CG LYS A 88 -18.149 -2.124 -0.193 1.00 0.00 C ATOM 1366 CD LYS A 88 -18.980 -2.425 -1.440 1.00 0.00 C ATOM 1367 CE LYS A 88 -19.916 -1.285 -1.853 1.00 0.00 C ATOM 1368 NZ LYS A 88 -19.362 -0.357 -2.854 1.00 0.00 N ATOM 0 H LYS A 88 -19.522 -0.975 3.686 1.00 0.00 H new ATOM 0 HA LYS A 88 -17.470 -2.645 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -19.750 -2.675 1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -19.563 -0.945 0.921 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -17.528 -1.248 -0.378 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -17.474 -2.958 -0.000 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -18.307 -2.647 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -19.573 -3.322 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -20.836 -1.715 -2.248 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -20.187 -0.717 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.951 0.499 -2.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.392 -0.096 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -19.351 -0.818 -3.786 1.00 0.00 H new ATOM 1382 N LYS A 89 -16.097 -0.749 3.000 1.00 0.00 N ATOM 1383 CA LYS A 89 -15.093 0.271 3.269 1.00 0.00 C ATOM 1384 C LYS A 89 -14.292 0.582 2.003 1.00 0.00 C ATOM 1385 O LYS A 89 -13.528 -0.282 1.572 1.00 0.00 O ATOM 1386 CB LYS A 89 -14.127 -0.230 4.360 1.00 0.00 C ATOM 1387 CG LYS A 89 -14.834 -0.643 5.657 1.00 0.00 C ATOM 1388 CD LYS A 89 -13.854 -1.298 6.640 1.00 0.00 C ATOM 1389 CE LYS A 89 -14.612 -2.184 7.625 1.00 0.00 C ATOM 1390 NZ LYS A 89 -15.477 -1.405 8.530 1.00 0.00 N ATOM 0 H LYS A 89 -15.775 -1.677 3.274 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.600 1.176 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.565 -1.081 3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.404 0.555 4.583 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -15.288 0.232 6.121 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.642 -1.338 5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.122 -1.892 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.301 -0.530 7.181 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -15.220 -2.900 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -13.899 -2.760 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -15.143 -1.514 9.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -15.443 -0.400 8.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -16.455 -1.750 8.457 1.00 0.00 H new ATOM 1404 N PRO A 90 -14.480 1.743 1.361 1.00 0.00 N ATOM 1405 CA PRO A 90 -13.733 2.129 0.170 1.00 0.00 C ATOM 1406 C PRO A 90 -12.299 2.521 0.566 1.00 0.00 C ATOM 1407 O PRO A 90 -12.080 3.256 1.527 1.00 0.00 O ATOM 1408 CB PRO A 90 -14.494 3.330 -0.396 1.00 0.00 C ATOM 1409 CG PRO A 90 -15.079 3.984 0.853 1.00 0.00 C ATOM 1410 CD PRO A 90 -15.372 2.808 1.776 1.00 0.00 C ATOM 0 HA PRO A 90 -13.652 1.325 -0.561 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -13.833 4.009 -0.935 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -15.273 3.022 -1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -14.375 4.682 1.306 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.983 4.547 0.623 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -15.200 3.077 2.818 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.414 2.498 1.695 1.00 0.00 H new ATOM 1418 N LEU A 91 -11.315 2.101 -0.225 1.00 0.00 N ATOM 1419 CA LEU A 91 -9.888 2.350 -0.039 1.00 0.00 C ATOM 1420 C LEU A 91 -9.456 3.067 -1.309 1.00 0.00 C ATOM 1421 O LEU A 91 -9.251 2.423 -2.337 1.00 0.00 O ATOM 1422 CB LEU A 91 -9.138 1.018 0.169 1.00 0.00 C ATOM 1423 CG LEU A 91 -9.676 0.143 1.320 1.00 0.00 C ATOM 1424 CD1 LEU A 91 -9.004 -1.228 1.252 1.00 0.00 C ATOM 1425 CD2 LEU A 91 -9.453 0.765 2.699 1.00 0.00 C ATOM 0 H LEU A 91 -11.503 1.546 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.667 2.950 0.844 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.183 0.444 -0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.087 1.235 0.358 1.00 0.00 H new ATOM 0 HG LEU A 91 -10.755 0.054 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -9.376 -1.856 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.231 -1.697 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.925 -1.110 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.853 0.102 3.466 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.385 0.909 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -9.961 1.728 2.750 1.00 0.00 H new ATOM 1437 N ARG A 92 -9.397 4.401 -1.280 1.00 0.00 N ATOM 1438 CA ARG A 92 -9.033 5.244 -2.422 1.00 0.00 C ATOM 1439 C ARG A 92 -7.582 5.704 -2.324 1.00 0.00 C ATOM 1440 O ARG A 92 -7.283 6.571 -1.497 1.00 0.00 O ATOM 1441 CB ARG A 92 -9.973 6.457 -2.468 1.00 0.00 C ATOM 1442 CG ARG A 92 -11.443 6.122 -2.745 1.00 0.00 C ATOM 1443 CD ARG A 92 -12.233 7.441 -2.822 1.00 0.00 C ATOM 1444 NE ARG A 92 -13.323 7.407 -3.809 1.00 0.00 N ATOM 1445 CZ ARG A 92 -13.175 7.353 -5.137 1.00 0.00 C ATOM 1446 NH1 ARG A 92 -11.964 7.334 -5.690 1.00 0.00 N ATOM 1447 NH2 ARG A 92 -14.258 7.331 -5.893 1.00 0.00 N ATOM 0 H ARG A 92 -9.607 4.939 -0.439 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.135 4.662 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.909 6.985 -1.517 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.620 7.143 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -11.537 5.568 -3.679 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.843 5.485 -1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.648 7.666 -1.840 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.550 8.252 -3.073 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.277 7.426 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.133 7.361 -5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.867 7.293 -6.705 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.182 7.355 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -14.170 7.290 -6.908 1.00 0.00 H new ATOM 1461 N TYR A 93 -6.700 5.136 -3.144 1.00 0.00 N ATOM 1462 CA TYR A 93 -5.282 5.468 -3.153 1.00 0.00 C ATOM 1463 C TYR A 93 -4.981 6.679 -4.040 1.00 0.00 C ATOM 1464 O TYR A 93 -5.621 6.905 -5.070 1.00 0.00 O ATOM 1465 CB TYR A 93 -4.469 4.237 -3.527 1.00 0.00 C ATOM 1466 CG TYR A 93 -4.615 3.092 -2.536 1.00 0.00 C ATOM 1467 CD1 TYR A 93 -3.751 3.018 -1.428 1.00 0.00 C ATOM 1468 CD2 TYR A 93 -5.643 2.137 -2.680 1.00 0.00 C ATOM 1469 CE1 TYR A 93 -3.915 2.006 -0.467 1.00 0.00 C ATOM 1470 CE2 TYR A 93 -5.818 1.129 -1.713 1.00 0.00 C ATOM 1471 CZ TYR A 93 -4.952 1.058 -0.599 1.00 0.00 C ATOM 1472 OH TYR A 93 -5.136 0.089 0.340 1.00 0.00 O ATOM 0 H TYR A 93 -6.956 4.424 -3.828 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.984 5.769 -2.149 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.777 3.894 -4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.417 4.514 -3.599 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.958 3.742 -1.316 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.299 2.179 -3.537 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.244 1.953 0.377 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.615 0.409 -1.823 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.020 -0.317 0.222 1.00 0.00 H new ATOM 1482 N GLY A 94 -3.951 7.409 -3.630 1.00 0.00 N ATOM 1483 CA GLY A 94 -3.321 8.610 -4.054 1.00 0.00 C ATOM 1484 C GLY A 94 -1.965 8.499 -4.739 1.00 0.00 C ATOM 1485 O GLY A 94 -1.387 7.411 -4.870 1.00 0.00 O ATOM 0 H GLY A 94 -3.449 7.070 -2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -4.000 9.121 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -3.203 9.252 -3.181 1.00 0.00 H new ATOM 1489 N LYS A 95 -1.553 9.610 -5.355 1.00 0.00 N ATOM 1490 CA LYS A 95 -0.281 9.690 -6.049 1.00 0.00 C ATOM 1491 C LYS A 95 0.874 9.544 -5.029 1.00 0.00 C ATOM 1492 O LYS A 95 0.675 9.599 -3.814 1.00 0.00 O ATOM 1493 CB LYS A 95 -0.257 11.034 -6.797 1.00 0.00 C ATOM 1494 CG LYS A 95 1.055 11.267 -7.545 1.00 0.00 C ATOM 1495 CD LYS A 95 0.939 12.345 -8.631 1.00 0.00 C ATOM 1496 CE LYS A 95 0.675 11.679 -9.980 1.00 0.00 C ATOM 1497 NZ LYS A 95 1.870 10.938 -10.445 1.00 0.00 N ATOM 0 H LYS A 95 -2.096 10.473 -5.382 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.153 8.885 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.085 11.066 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.414 11.845 -6.085 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.827 11.558 -6.833 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.378 10.332 -8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 95 0.131 13.035 -8.389 1.00 0.00 H new ATOM 0 HD3 LYS A 95 1.856 12.932 -8.676 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -0.171 10.997 -9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.401 12.435 -10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.574 10.148 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.487 11.578 -10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.390 10.567 -9.624 1.00 0.00 H new ATOM 1511 N VAL A 96 2.092 9.288 -5.521 1.00 0.00 N ATOM 1512 CA VAL A 96 3.282 9.076 -4.706 1.00 0.00 C ATOM 1513 C VAL A 96 4.329 10.153 -4.974 1.00 0.00 C ATOM 1514 O VAL A 96 4.529 10.619 -6.104 1.00 0.00 O ATOM 1515 CB VAL A 96 3.823 7.654 -4.966 1.00 0.00 C ATOM 1516 CG1 VAL A 96 4.981 7.277 -4.035 1.00 0.00 C ATOM 1517 CG2 VAL A 96 2.743 6.584 -4.754 1.00 0.00 C ATOM 0 H VAL A 96 2.276 9.222 -6.522 1.00 0.00 H new ATOM 0 HA VAL A 96 3.024 9.158 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 96 4.162 7.679 -6.002 1.00 0.00 H new ATOM 0 HG11 VAL A 96 5.319 6.267 -4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.805 7.976 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.644 7.319 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.165 5.598 -4.947 1.00 0.00 H new ATOM 0 HG22 VAL A 96 2.383 6.629 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.913 6.764 -5.438 1.00 0.00 H new ATOM 1527 N TYR A 97 5.049 10.509 -3.918 1.00 0.00 N ATOM 1528 CA TYR A 97 6.082 11.516 -3.899 1.00 0.00 C ATOM 1529 C TYR A 97 7.307 10.977 -3.181 1.00 0.00 C ATOM 1530 O TYR A 97 7.259 9.901 -2.600 1.00 0.00 O ATOM 1531 CB TYR A 97 5.554 12.763 -3.171 1.00 0.00 C ATOM 1532 CG TYR A 97 4.133 13.172 -3.519 1.00 0.00 C ATOM 1533 CD1 TYR A 97 3.035 12.565 -2.877 1.00 0.00 C ATOM 1534 CD2 TYR A 97 3.913 14.139 -4.508 1.00 0.00 C ATOM 1535 CE1 TYR A 97 1.713 12.873 -3.252 1.00 0.00 C ATOM 1536 CE2 TYR A 97 2.603 14.472 -4.890 1.00 0.00 C ATOM 1537 CZ TYR A 97 1.503 13.814 -4.292 1.00 0.00 C ATOM 1538 OH TYR A 97 0.254 14.080 -4.750 1.00 0.00 O ATOM 0 H TYR A 97 4.914 10.074 -3.005 1.00 0.00 H new ATOM 0 HA TYR A 97 6.359 11.780 -4.920 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.610 12.586 -2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.218 13.599 -3.391 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.210 11.852 -2.085 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.752 14.630 -4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.876 12.402 -2.758 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.436 15.231 -5.640 1.00 0.00 H new ATOM 0 HH TYR A 97 -0.189 14.711 -4.145 1.00 0.00 H new ATOM 1548 N SER A 98 8.408 11.707 -3.247 1.00 0.00 N ATOM 1549 CA SER A 98 9.667 11.389 -2.600 1.00 0.00 C ATOM 1550 C SER A 98 9.820 12.397 -1.462 1.00 0.00 C ATOM 1551 O SER A 98 9.096 13.399 -1.387 1.00 0.00 O ATOM 1552 CB SER A 98 10.816 11.492 -3.613 1.00 0.00 C ATOM 1553 OG SER A 98 11.491 10.269 -3.819 1.00 0.00 O ATOM 0 H SER A 98 8.449 12.577 -3.778 1.00 0.00 H new ATOM 0 HA SER A 98 9.688 10.371 -2.211 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.421 11.846 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.530 12.239 -3.267 1.00 0.00 H new ATOM 0 HG SER A 98 12.209 10.398 -4.474 1.00 0.00 H new ATOM 1559 N THR A 99 10.720 12.090 -0.546 1.00 0.00 N ATOM 1560 CA THR A 99 11.027 12.929 0.607 1.00 0.00 C ATOM 1561 C THR A 99 12.059 13.983 0.175 1.00 0.00 C ATOM 1562 O THR A 99 12.615 13.880 -0.924 1.00 0.00 O ATOM 1563 CB THR A 99 11.552 12.032 1.748 1.00 0.00 C ATOM 1564 OG1 THR A 99 12.513 11.109 1.274 1.00 0.00 O ATOM 1565 CG2 THR A 99 10.435 11.197 2.394 1.00 0.00 C ATOM 0 H THR A 99 11.272 11.233 -0.580 1.00 0.00 H new ATOM 0 HA THR A 99 10.142 13.449 0.974 1.00 0.00 H new ATOM 0 HB THR A 99 11.984 12.717 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 99 12.070 10.266 1.041 1.00 0.00 H new ATOM 0 HG21 THR A 99 10.854 10.583 3.191 1.00 0.00 H new ATOM 0 HG22 THR A 99 9.677 11.862 2.809 1.00 0.00 H new ATOM 0 HG23 THR A 99 9.980 10.553 1.641 1.00 0.00 H new ATOM 1669 N ASP A 107 14.986 5.694 0.544 1.00 0.00 N ATOM 1670 CA ASP A 107 14.460 4.637 1.422 1.00 0.00 C ATOM 1671 C ASP A 107 13.045 4.991 1.832 1.00 0.00 C ATOM 1672 O ASP A 107 12.223 4.119 2.106 1.00 0.00 O ATOM 1673 CB ASP A 107 15.186 4.466 2.763 1.00 0.00 C ATOM 1674 CG ASP A 107 16.578 3.872 2.734 1.00 0.00 C ATOM 1675 OD1 ASP A 107 16.780 2.820 2.096 1.00 0.00 O ATOM 1676 OD2 ASP A 107 17.415 4.346 3.538 1.00 0.00 O ATOM 0 HA ASP A 107 14.572 3.729 0.830 1.00 0.00 H new ATOM 0 HB2 ASP A 107 15.248 5.445 3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.566 3.839 3.403 1.00 0.00 H new ATOM 1681 N GLU A 108 12.723 6.272 1.878 1.00 0.00 N ATOM 1682 CA GLU A 108 11.433 6.758 2.280 1.00 0.00 C ATOM 1683 C GLU A 108 10.853 7.581 1.146 1.00 0.00 C ATOM 1684 O GLU A 108 11.542 8.293 0.414 1.00 0.00 O ATOM 1685 CB GLU A 108 11.625 7.522 3.598 1.00 0.00 C ATOM 1686 CG GLU A 108 11.585 6.548 4.770 1.00 0.00 C ATOM 1687 CD GLU A 108 12.094 7.120 6.085 1.00 0.00 C ATOM 1688 OE1 GLU A 108 11.633 8.210 6.468 1.00 0.00 O ATOM 1689 OE2 GLU A 108 12.901 6.466 6.787 1.00 0.00 O ATOM 0 H GLU A 108 13.375 7.015 1.628 1.00 0.00 H new ATOM 0 HA GLU A 108 10.709 5.966 2.471 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.577 8.052 3.586 1.00 0.00 H new ATOM 0 HB3 GLU A 108 10.843 8.273 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.558 6.209 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.179 5.670 4.516 1.00 0.00 H new ATOM 1696 N ILE A 109 9.548 7.447 0.997 1.00 0.00 N ATOM 1697 CA ILE A 109 8.733 8.118 0.000 1.00 0.00 C ATOM 1698 C ILE A 109 7.444 8.564 0.692 1.00 0.00 C ATOM 1699 O ILE A 109 7.271 8.344 1.887 1.00 0.00 O ATOM 1700 CB ILE A 109 8.529 7.204 -1.233 1.00 0.00 C ATOM 1701 CG1 ILE A 109 7.831 5.870 -0.948 1.00 0.00 C ATOM 1702 CG2 ILE A 109 9.839 6.920 -1.964 1.00 0.00 C ATOM 1703 CD1 ILE A 109 6.339 6.075 -0.737 1.00 0.00 C ATOM 0 H ILE A 109 8.999 6.835 1.600 1.00 0.00 H new ATOM 0 HA ILE A 109 9.217 9.009 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 109 7.859 7.788 -1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 109 7.994 5.184 -1.779 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.268 5.408 -0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.645 6.275 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.275 7.858 -2.307 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.534 6.424 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 109 5.865 5.114 -0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.180 6.742 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.902 6.515 -1.633 1.00 0.00 H new ATOM 1715 N ILE A 110 6.498 9.162 -0.023 1.00 0.00 N ATOM 1716 CA ILE A 110 5.250 9.637 0.543 1.00 0.00 C ATOM 1717 C ILE A 110 4.102 9.134 -0.329 1.00 0.00 C ATOM 1718 O ILE A 110 4.049 9.441 -1.519 1.00 0.00 O ATOM 1719 CB ILE A 110 5.321 11.171 0.692 1.00 0.00 C ATOM 1720 CG1 ILE A 110 6.739 11.611 1.145 1.00 0.00 C ATOM 1721 CG2 ILE A 110 4.247 11.639 1.676 1.00 0.00 C ATOM 1722 CD1 ILE A 110 6.913 13.082 1.443 1.00 0.00 C ATOM 0 H ILE A 110 6.582 9.331 -1.025 1.00 0.00 H new ATOM 0 HA ILE A 110 5.071 9.246 1.545 1.00 0.00 H new ATOM 0 HB ILE A 110 5.130 11.638 -0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 110 7.005 11.046 2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 110 7.450 11.332 0.368 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.297 12.723 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.263 11.356 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.415 11.172 2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 110 7.942 13.272 1.750 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.687 13.663 0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 110 6.236 13.373 2.246 1.00 0.00 H new ATOM 1734 N VAL A 111 3.239 8.290 0.231 1.00 0.00 N ATOM 1735 CA VAL A 111 2.075 7.709 -0.436 1.00 0.00 C ATOM 1736 C VAL A 111 0.818 8.445 0.009 1.00 0.00 C ATOM 1737 O VAL A 111 0.586 8.610 1.208 1.00 0.00 O ATOM 1738 CB VAL A 111 1.917 6.226 -0.064 1.00 0.00 C ATOM 1739 CG1 VAL A 111 0.733 5.591 -0.810 1.00 0.00 C ATOM 1740 CG2 VAL A 111 3.224 5.487 -0.321 1.00 0.00 C ATOM 0 H VAL A 111 3.334 7.980 1.198 1.00 0.00 H new ATOM 0 HA VAL A 111 2.218 7.800 -1.513 1.00 0.00 H new ATOM 0 HB VAL A 111 1.691 6.147 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 111 0.645 4.542 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -0.186 6.116 -0.548 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.899 5.665 -1.885 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.106 4.436 -0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.486 5.568 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL A 111 4.016 5.928 0.284 1.00 0.00 H new ATOM 1750 N GLU A 112 -0.017 8.874 -0.934 1.00 0.00 N ATOM 1751 CA GLU A 112 -1.254 9.556 -0.591 1.00 0.00 C ATOM 1752 C GLU A 112 -2.341 8.494 -0.435 1.00 0.00 C ATOM 1753 O GLU A 112 -2.404 7.548 -1.226 1.00 0.00 O ATOM 1754 CB GLU A 112 -1.656 10.484 -1.721 1.00 0.00 C ATOM 1755 CG GLU A 112 -3.060 11.127 -1.613 1.00 0.00 C ATOM 1756 CD GLU A 112 -3.524 11.775 -2.929 1.00 0.00 C ATOM 1757 OE1 GLU A 112 -2.746 11.885 -3.904 1.00 0.00 O ATOM 1758 OE2 GLU A 112 -4.734 12.083 -3.019 1.00 0.00 O ATOM 0 H GLU A 112 0.142 8.761 -1.935 1.00 0.00 H new ATOM 0 HA GLU A 112 -1.123 10.132 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -0.918 11.283 -1.787 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -1.606 9.926 -2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -3.781 10.366 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -3.049 11.881 -0.826 1.00 0.00 H new ATOM 1765 N PHE A 113 -3.228 8.673 0.533 1.00 0.00 N ATOM 1766 CA PHE A 113 -4.336 7.783 0.797 1.00 0.00 C ATOM 1767 C PHE A 113 -5.475 8.656 1.290 1.00 0.00 C ATOM 1768 O PHE A 113 -5.257 9.529 2.124 1.00 0.00 O ATOM 1769 CB PHE A 113 -3.907 6.733 1.825 1.00 0.00 C ATOM 1770 CG PHE A 113 -4.771 5.495 1.957 1.00 0.00 C ATOM 1771 CD1 PHE A 113 -5.483 4.976 0.859 1.00 0.00 C ATOM 1772 CD2 PHE A 113 -4.774 4.788 3.173 1.00 0.00 C ATOM 1773 CE1 PHE A 113 -6.213 3.791 0.976 1.00 0.00 C ATOM 1774 CE2 PHE A 113 -5.491 3.587 3.287 1.00 0.00 C ATOM 1775 CZ PHE A 113 -6.231 3.101 2.196 1.00 0.00 C ATOM 0 H PHE A 113 -3.190 9.467 1.172 1.00 0.00 H new ATOM 0 HA PHE A 113 -4.658 7.234 -0.088 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -2.895 6.413 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.859 7.216 2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -5.465 5.500 -0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -4.224 5.170 4.020 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.762 3.407 0.129 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.474 3.035 4.215 1.00 0.00 H new ATOM 0 HZ PHE A 113 -6.813 2.197 2.297 1.00 0.00 H new ATOM 1785 N ASN A 114 -6.681 8.479 0.745 1.00 0.00 N ATOM 1786 CA ASN A 114 -7.870 9.243 1.125 1.00 0.00 C ATOM 1787 C ASN A 114 -7.618 10.767 1.083 1.00 0.00 C ATOM 1788 O ASN A 114 -8.208 11.507 1.867 1.00 0.00 O ATOM 1789 CB ASN A 114 -8.400 8.774 2.501 1.00 0.00 C ATOM 1790 CG ASN A 114 -8.340 7.265 2.721 1.00 0.00 C ATOM 1791 OD1 ASN A 114 -7.423 6.767 3.364 1.00 0.00 O ATOM 1792 ND2 ASN A 114 -9.275 6.485 2.197 1.00 0.00 N ATOM 0 H ASN A 114 -6.861 7.789 0.015 1.00 0.00 H new ATOM 0 HA ASN A 114 -8.646 9.045 0.386 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -7.824 9.266 3.285 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.433 9.104 2.610 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -9.230 5.475 2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.040 6.895 1.661 1.00 0.00 H new ATOM 1799 N ARG A 115 -6.789 11.259 0.145 1.00 0.00 N ATOM 1800 CA ARG A 115 -6.420 12.677 -0.066 1.00 0.00 C ATOM 1801 C ARG A 115 -5.427 13.229 0.963 1.00 0.00 C ATOM 1802 O ARG A 115 -5.167 14.436 0.960 1.00 0.00 O ATOM 1803 CB ARG A 115 -7.650 13.610 -0.149 1.00 0.00 C ATOM 1804 CG ARG A 115 -8.801 13.114 -1.027 1.00 0.00 C ATOM 1805 CD ARG A 115 -8.323 12.803 -2.447 1.00 0.00 C ATOM 1806 NE ARG A 115 -9.443 12.864 -3.390 1.00 0.00 N ATOM 1807 CZ ARG A 115 -9.836 13.973 -4.024 1.00 0.00 C ATOM 1808 NH1 ARG A 115 -9.065 15.058 -4.034 1.00 0.00 N ATOM 1809 NH2 ARG A 115 -11.006 13.990 -4.643 1.00 0.00 N ATOM 0 H ARG A 115 -6.330 10.644 -0.527 1.00 0.00 H new ATOM 0 HA ARG A 115 -5.915 12.670 -1.032 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -8.030 13.770 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -7.323 14.580 -0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -9.239 12.220 -0.584 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -9.586 13.870 -1.062 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.552 13.515 -2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -7.869 11.812 -2.476 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.957 12.003 -3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -8.165 15.048 -3.555 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -9.375 15.899 -4.521 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.600 13.161 -4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.314 14.832 -5.129 1.00 0.00 H new ATOM 1823 N GLU A 116 -4.870 12.388 1.825 1.00 0.00 N ATOM 1824 CA GLU A 116 -3.928 12.743 2.870 1.00 0.00 C ATOM 1825 C GLU A 116 -2.601 12.101 2.481 1.00 0.00 C ATOM 1826 O GLU A 116 -2.561 10.964 2.011 1.00 0.00 O ATOM 1827 CB GLU A 116 -4.448 12.236 4.223 1.00 0.00 C ATOM 1828 CG GLU A 116 -5.781 12.870 4.643 1.00 0.00 C ATOM 1829 CD GLU A 116 -6.329 12.203 5.904 1.00 0.00 C ATOM 1830 OE1 GLU A 116 -5.807 12.476 7.009 1.00 0.00 O ATOM 1831 OE2 GLU A 116 -7.325 11.441 5.829 1.00 0.00 O ATOM 0 H GLU A 116 -5.076 11.389 1.810 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.801 13.821 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.569 11.154 4.174 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.701 12.439 4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -5.641 13.936 4.822 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.504 12.775 3.833 1.00 0.00 H new ATOM 1838 N TYR A 117 -1.509 12.845 2.602 1.00 0.00 N ATOM 1839 CA TYR A 117 -0.178 12.367 2.239 1.00 0.00 C ATOM 1840 C TYR A 117 0.465 11.697 3.450 1.00 0.00 C ATOM 1841 O TYR A 117 0.529 12.304 4.515 1.00 0.00 O ATOM 1842 CB TYR A 117 0.652 13.537 1.678 1.00 0.00 C ATOM 1843 CG TYR A 117 0.194 14.150 0.354 1.00 0.00 C ATOM 1844 CD1 TYR A 117 -1.032 13.812 -0.256 1.00 0.00 C ATOM 1845 CD2 TYR A 117 1.023 15.088 -0.286 1.00 0.00 C ATOM 1846 CE1 TYR A 117 -1.452 14.433 -1.440 1.00 0.00 C ATOM 1847 CE2 TYR A 117 0.618 15.708 -1.483 1.00 0.00 C ATOM 1848 CZ TYR A 117 -0.637 15.405 -2.051 1.00 0.00 C ATOM 1849 OH TYR A 117 -1.030 16.001 -3.209 1.00 0.00 O ATOM 0 H TYR A 117 -1.520 13.801 2.956 1.00 0.00 H new ATOM 0 HA TYR A 117 -0.234 11.615 1.452 1.00 0.00 H new ATOM 0 HB2 TYR A 117 0.670 14.328 2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 117 1.679 13.193 1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -1.660 13.060 0.198 1.00 0.00 H new ATOM 0 HD2 TYR A 117 1.981 15.336 0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -2.400 14.166 -1.883 1.00 0.00 H new ATOM 0 HE2 TYR A 117 1.271 16.418 -1.968 1.00 0.00 H new ATOM 0 HH TYR A 117 -0.349 16.647 -3.492 1.00 0.00 H new ATOM 1859 N TYR A 118 0.996 10.481 3.294 1.00 0.00 N ATOM 1860 CA TYR A 118 1.630 9.733 4.386 1.00 0.00 C ATOM 1861 C TYR A 118 3.045 9.314 4.031 1.00 0.00 C ATOM 1862 O TYR A 118 3.272 8.676 3.004 1.00 0.00 O ATOM 1863 CB TYR A 118 0.824 8.487 4.756 1.00 0.00 C ATOM 1864 CG TYR A 118 -0.576 8.759 5.258 1.00 0.00 C ATOM 1865 CD1 TYR A 118 -1.648 8.833 4.351 1.00 0.00 C ATOM 1866 CD2 TYR A 118 -0.805 8.940 6.635 1.00 0.00 C ATOM 1867 CE1 TYR A 118 -2.945 9.092 4.818 1.00 0.00 C ATOM 1868 CE2 TYR A 118 -2.100 9.215 7.106 1.00 0.00 C ATOM 1869 CZ TYR A 118 -3.178 9.301 6.196 1.00 0.00 C ATOM 1870 OH TYR A 118 -4.434 9.580 6.635 1.00 0.00 O ATOM 0 H TYR A 118 0.999 9.985 2.403 1.00 0.00 H new ATOM 0 HA TYR A 118 1.661 10.408 5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 118 0.761 7.840 3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 118 1.368 7.935 5.522 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -1.473 8.690 3.295 1.00 0.00 H new ATOM 0 HD2 TYR A 118 0.017 8.867 7.332 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.769 9.132 4.121 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -2.271 9.361 8.162 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.422 9.695 7.608 1.00 0.00 H new ATOM 1880 N ARG A 119 4.023 9.744 4.827 1.00 0.00 N ATOM 1881 CA ARG A 119 5.415 9.390 4.611 1.00 0.00 C ATOM 1882 C ARG A 119 5.539 7.915 4.973 1.00 0.00 C ATOM 1883 O ARG A 119 5.138 7.513 6.071 1.00 0.00 O ATOM 1884 CB ARG A 119 6.347 10.312 5.406 1.00 0.00 C ATOM 1885 CG ARG A 119 7.824 9.984 5.135 1.00 0.00 C ATOM 1886 CD ARG A 119 8.472 9.145 6.248 1.00 0.00 C ATOM 1887 NE ARG A 119 8.744 9.932 7.473 1.00 0.00 N ATOM 1888 CZ ARG A 119 9.834 10.666 7.750 1.00 0.00 C ATOM 1889 NH1 ARG A 119 10.902 10.696 6.968 1.00 0.00 N ATOM 1890 NH2 ARG A 119 9.864 11.418 8.834 1.00 0.00 N ATOM 0 H ARG A 119 3.868 10.346 5.636 1.00 0.00 H new ATOM 0 HA ARG A 119 5.723 9.531 3.575 1.00 0.00 H new ATOM 0 HB2 ARG A 119 6.148 11.350 5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 119 6.140 10.211 6.471 1.00 0.00 H new ATOM 0 HG2 ARG A 119 7.903 9.446 4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 119 8.381 10.914 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 119 7.817 8.310 6.496 1.00 0.00 H new ATOM 0 HD3 ARG A 119 9.406 8.720 5.880 1.00 0.00 H new ATOM 0 HE ARG A 119 8.019 9.914 8.190 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.922 10.145 6.110 1.00 0.00 H new ATOM 0 HH12 ARG A 119 11.705 11.270 7.223 1.00 0.00 H new ATOM 0 HH21 ARG A 119 9.060 11.441 9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 119 10.692 11.976 9.045 1.00 0.00 H new ATOM 1904 N ALA A 120 6.050 7.120 4.037 1.00 0.00 N ATOM 1905 CA ALA A 120 6.248 5.689 4.166 1.00 0.00 C ATOM 1906 C ALA A 120 7.732 5.345 4.018 1.00 0.00 C ATOM 1907 O ALA A 120 8.473 6.085 3.369 1.00 0.00 O ATOM 1908 CB ALA A 120 5.395 4.952 3.132 1.00 0.00 C ATOM 0 H ALA A 120 6.349 7.477 3.129 1.00 0.00 H new ATOM 0 HA ALA A 120 5.931 5.367 5.158 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.548 3.878 3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.343 5.186 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.686 5.267 2.130 1.00 0.00 H new ATOM 1914 N VAL A 121 8.143 4.175 4.502 1.00 0.00 N ATOM 1915 CA VAL A 121 9.523 3.692 4.491 1.00 0.00 C ATOM 1916 C VAL A 121 9.652 2.299 3.907 1.00 0.00 C ATOM 1917 O VAL A 121 8.763 1.470 4.068 1.00 0.00 O ATOM 1918 CB VAL A 121 10.035 3.731 5.943 1.00 0.00 C ATOM 1919 CG1 VAL A 121 9.178 2.930 6.906 1.00 0.00 C ATOM 1920 CG2 VAL A 121 11.513 3.356 6.090 1.00 0.00 C ATOM 0 H VAL A 121 7.498 3.510 4.930 1.00 0.00 H new ATOM 0 HA VAL A 121 10.123 4.334 3.847 1.00 0.00 H new ATOM 0 HB VAL A 121 9.946 4.781 6.222 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.596 3.001 7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.163 3.327 6.906 1.00 0.00 H new ATOM 0 HG13 VAL A 121 9.159 1.886 6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 121 11.799 3.407 7.141 1.00 0.00 H new ATOM 0 HG22 VAL A 121 11.670 2.343 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.124 4.051 5.514 1.00 0.00 H new ATOM 1930 N LEU A 122 10.757 2.042 3.214 1.00 0.00 N ATOM 1931 CA LEU A 122 11.090 0.776 2.583 1.00 0.00 C ATOM 1932 C LEU A 122 11.200 -0.285 3.685 1.00 0.00 C ATOM 1933 O LEU A 122 11.993 -0.121 4.608 1.00 0.00 O ATOM 1934 CB LEU A 122 12.371 1.001 1.754 1.00 0.00 C ATOM 1935 CG LEU A 122 12.640 -0.091 0.720 1.00 0.00 C ATOM 1936 CD1 LEU A 122 11.455 -0.182 -0.236 1.00 0.00 C ATOM 1937 CD2 LEU A 122 13.863 0.217 -0.149 1.00 0.00 C ATOM 0 H LEU A 122 11.479 2.749 3.072 1.00 0.00 H new ATOM 0 HA LEU A 122 10.332 0.410 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 122 12.297 1.961 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.223 1.065 2.431 1.00 0.00 H new ATOM 0 HG LEU A 122 12.806 -1.013 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 122 11.643 -0.960 -0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 122 10.553 -0.425 0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 122 11.321 0.774 -0.742 1.00 0.00 H new ATOM 0 HD21 LEU A 122 14.011 -0.589 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 122 13.703 1.154 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 122 14.746 0.306 0.484 1.00 0.00 H new ATOM 1949 N ILE A 123 10.383 -1.342 3.620 1.00 0.00 N ATOM 1950 CA ILE A 123 10.340 -2.399 4.638 1.00 0.00 C ATOM 1951 C ILE A 123 11.380 -3.451 4.327 1.00 0.00 C ATOM 1952 O ILE A 123 12.193 -3.803 5.168 1.00 0.00 O ATOM 1953 CB ILE A 123 8.930 -3.020 4.683 1.00 0.00 C ATOM 1954 CG1 ILE A 123 7.941 -1.989 5.235 1.00 0.00 C ATOM 1955 CG2 ILE A 123 8.851 -4.283 5.562 1.00 0.00 C ATOM 1956 CD1 ILE A 123 6.543 -2.279 4.711 1.00 0.00 C ATOM 0 H ILE A 123 9.727 -1.490 2.853 1.00 0.00 H new ATOM 0 HA ILE A 123 10.562 -1.973 5.616 1.00 0.00 H new ATOM 0 HB ILE A 123 8.683 -3.310 3.662 1.00 0.00 H new ATOM 0 HG12 ILE A 123 7.943 -2.017 6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 123 8.248 -0.985 4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.832 -4.671 5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 123 9.532 -5.040 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 123 9.133 -4.033 6.585 1.00 0.00 H new ATOM 0 HD11 ILE A 123 5.845 -1.542 5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 123 6.545 -2.228 3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 123 6.236 -3.276 5.027 1.00 0.00 H new