USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 763 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 75 THR OG1 : rot -81:sc= 0.847 USER MOD Set 1.2: A 94 TYR OH : rot 30:sc= 0.726 USER MOD Set 2.1: A 59 HIS : no HD1:sc= -0.0997 K(o=-0.36,f=-1.1) USER MOD Set 2.2: A 61 TYR OH : rot -132:sc= -0.264 USER MOD Set 3.1: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 55 GLN : amide:sc=-0.00191 X(o=-0.11,f=-0.59) USER MOD Set 3.3: A 103 CYS SG : rot -43:sc= -0.111 USER MOD Set 4.1: A 51 CYS SG : rot -150:sc= -0.212 USER MOD Set 4.2: A 60 THR OG1 : rot -94:sc= 0.00167 USER MOD Single : A 12 SER OG : rot 170:sc= 0.0502 USER MOD Single : A 14 TYR OH : rot 150:sc= 0.0646 USER MOD Single : A 15 HIS : no HD1:sc= -0.0677 K(o=-0.068,f=-0.58) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 90:sc= -1.12 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0897 USER MOD Single : A 43 SER OG : rot 130:sc= 0.16 USER MOD Single : A 56 LYS NZ :NH3+ -170:sc= -0.0177 (180deg=-0.157) USER MOD Single : A 57 HIS : no HD1:sc= -0.0813 X(o=-0.081,f=-0.018) USER MOD Single : A 74 GLN : amide:sc= -0.485 X(o=-0.49,f=-0.24) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.32) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0839 K(o=-0.084,f=-2.8!) USER MOD Single : A 98 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.011) USER MOD Single : A 99 GLN : amide:sc= -0.0887 X(o=-0.089,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 181 N SER A 12 -1.085 -4.200 -13.114 1.00 0.00 N ATOM 182 CA SER A 12 -0.093 -3.836 -12.085 1.00 0.00 C ATOM 183 C SER A 12 -0.700 -2.803 -11.115 1.00 0.00 C ATOM 184 O SER A 12 -1.436 -1.891 -11.520 1.00 0.00 O ATOM 185 CB SER A 12 1.250 -3.322 -12.693 1.00 0.00 C ATOM 186 OG SER A 12 2.148 -2.866 -11.689 1.00 0.00 O ATOM 0 HA SER A 12 0.155 -4.743 -11.533 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.720 -4.123 -13.263 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.045 -2.511 -13.392 1.00 0.00 H new ATOM 0 HG SER A 12 3.029 -2.705 -12.087 1.00 0.00 H new ATOM 192 N TRP A 13 -0.380 -2.941 -9.826 1.00 0.00 N ATOM 193 CA TRP A 13 -0.796 -1.984 -8.786 1.00 0.00 C ATOM 194 C TRP A 13 0.158 -0.766 -8.811 1.00 0.00 C ATOM 195 O TRP A 13 -0.202 0.332 -8.381 1.00 0.00 O ATOM 196 CB TRP A 13 -0.836 -2.686 -7.381 1.00 0.00 C ATOM 197 CG TRP A 13 0.163 -3.812 -7.171 1.00 0.00 C ATOM 198 CD1 TRP A 13 -0.110 -5.152 -7.171 1.00 0.00 C ATOM 199 CD2 TRP A 13 1.575 -3.703 -6.935 1.00 0.00 C ATOM 200 NE1 TRP A 13 1.033 -5.867 -6.945 1.00 0.00 N ATOM 201 CE2 TRP A 13 2.077 -5.007 -6.806 1.00 0.00 C ATOM 202 CE3 TRP A 13 2.459 -2.638 -6.831 1.00 0.00 C ATOM 203 CZ2 TRP A 13 3.420 -5.265 -6.570 1.00 0.00 C ATOM 204 CZ3 TRP A 13 3.791 -2.893 -6.601 1.00 0.00 C ATOM 205 CH2 TRP A 13 4.261 -4.199 -6.473 1.00 0.00 C ATOM 0 H TRP A 13 0.175 -3.719 -9.469 1.00 0.00 H new ATOM 0 HA TRP A 13 -1.806 -1.626 -8.985 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.668 -1.930 -6.614 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.839 -3.083 -7.223 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -1.088 -5.583 -7.327 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.093 -6.884 -6.889 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.106 -1.622 -6.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.785 -6.276 -6.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 4.484 -2.068 -6.518 1.00 0.00 H new ATOM 0 HH2 TRP A 13 5.312 -4.368 -6.293 1.00 0.00 H new ATOM 216 N TYR A 14 1.373 -0.996 -9.347 1.00 0.00 N ATOM 217 CA TYR A 14 2.412 0.027 -9.493 1.00 0.00 C ATOM 218 C TYR A 14 2.076 0.972 -10.665 1.00 0.00 C ATOM 219 O TYR A 14 2.165 0.586 -11.831 1.00 0.00 O ATOM 220 CB TYR A 14 3.800 -0.638 -9.680 1.00 0.00 C ATOM 221 CG TYR A 14 4.972 0.352 -9.830 1.00 0.00 C ATOM 222 CD1 TYR A 14 5.177 1.386 -8.906 1.00 0.00 C ATOM 223 CD2 TYR A 14 5.869 0.253 -10.897 1.00 0.00 C ATOM 224 CE1 TYR A 14 6.231 2.274 -9.050 1.00 0.00 C ATOM 225 CE2 TYR A 14 6.918 1.136 -11.037 1.00 0.00 C ATOM 226 CZ TYR A 14 7.097 2.140 -10.116 1.00 0.00 C ATOM 227 OH TYR A 14 8.148 3.011 -10.263 1.00 0.00 O ATOM 0 H TYR A 14 1.658 -1.912 -9.694 1.00 0.00 H new ATOM 0 HA TYR A 14 2.449 0.626 -8.583 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.996 -1.285 -8.825 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.766 -1.277 -10.563 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.503 1.492 -8.069 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.738 -0.532 -11.627 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.374 3.067 -8.331 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.599 1.039 -11.870 1.00 0.00 H new ATOM 0 HH TYR A 14 8.891 2.554 -10.709 1.00 0.00 H new ATOM 237 N HIS A 15 1.632 2.199 -10.326 1.00 0.00 N ATOM 238 CA HIS A 15 1.381 3.291 -11.280 1.00 0.00 C ATOM 239 C HIS A 15 2.152 4.534 -10.786 1.00 0.00 C ATOM 240 O HIS A 15 1.766 5.110 -9.763 1.00 0.00 O ATOM 241 CB HIS A 15 -0.144 3.630 -11.363 1.00 0.00 C ATOM 242 CG HIS A 15 -1.040 2.481 -11.763 1.00 0.00 C ATOM 243 ND1 HIS A 15 -1.311 2.155 -13.074 1.00 0.00 N ATOM 244 CD2 HIS A 15 -1.749 1.603 -11.012 1.00 0.00 C ATOM 245 CE1 HIS A 15 -2.145 1.136 -13.114 1.00 0.00 C ATOM 246 NE2 HIS A 15 -2.428 0.779 -11.877 1.00 0.00 N ATOM 0 H HIS A 15 1.435 2.461 -9.360 1.00 0.00 H new ATOM 0 HA HIS A 15 1.712 2.987 -12.273 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.470 4.002 -10.392 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -0.281 4.442 -12.078 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.775 1.559 -9.933 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.532 0.672 -14.009 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.049 0.016 -11.606 1.00 0.00 H new ATOM 255 N ARG A 16 3.251 4.921 -11.483 1.00 0.00 N ATOM 256 CA ARG A 16 4.067 6.125 -11.130 1.00 0.00 C ATOM 257 C ARG A 16 3.191 7.395 -11.054 1.00 0.00 C ATOM 258 O ARG A 16 2.252 7.526 -11.840 1.00 0.00 O ATOM 259 CB ARG A 16 5.250 6.327 -12.120 1.00 0.00 C ATOM 260 CG ARG A 16 6.350 5.236 -12.026 1.00 0.00 C ATOM 261 CD ARG A 16 7.615 5.580 -12.835 1.00 0.00 C ATOM 262 NE ARG A 16 8.686 4.576 -12.654 1.00 0.00 N ATOM 263 CZ ARG A 16 10.005 4.808 -12.801 1.00 0.00 C ATOM 264 NH1 ARG A 16 10.459 6.022 -13.078 1.00 0.00 N ATOM 265 NH2 ARG A 16 10.860 3.816 -12.657 1.00 0.00 N ATOM 0 H ARG A 16 3.599 4.417 -12.299 1.00 0.00 H new ATOM 0 HA ARG A 16 4.490 5.948 -10.141 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.859 6.346 -13.137 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.703 7.301 -11.934 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.623 5.093 -10.980 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.945 4.289 -12.382 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.360 5.649 -13.892 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.983 6.560 -12.531 1.00 0.00 H new ATOM 0 HE ARG A 16 8.403 3.630 -12.397 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.806 6.799 -13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.461 6.179 -13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.522 2.879 -12.436 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.860 3.985 -12.767 1.00 0.00 H new ATOM 279 N ASP A 17 3.600 8.367 -10.192 1.00 0.00 N ATOM 280 CA ASP A 17 2.701 9.319 -9.472 1.00 0.00 C ATOM 281 C ASP A 17 1.232 9.311 -9.927 1.00 0.00 C ATOM 282 O ASP A 17 0.784 10.142 -10.735 1.00 0.00 O ATOM 283 CB ASP A 17 3.289 10.760 -9.491 1.00 0.00 C ATOM 284 CG ASP A 17 2.476 11.759 -8.641 1.00 0.00 C ATOM 285 OD1 ASP A 17 2.291 11.496 -7.433 1.00 0.00 O ATOM 286 OD2 ASP A 17 1.986 12.778 -9.179 1.00 0.00 O ATOM 0 H ASP A 17 4.585 8.515 -9.972 1.00 0.00 H new ATOM 0 HA ASP A 17 2.670 8.951 -8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.315 10.732 -9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 17 3.328 11.116 -10.520 1.00 0.00 H new ATOM 291 N LEU A 18 0.534 8.267 -9.479 1.00 0.00 N ATOM 292 CA LEU A 18 -0.925 8.184 -9.574 1.00 0.00 C ATOM 293 C LEU A 18 -1.588 9.326 -8.761 1.00 0.00 C ATOM 294 O LEU A 18 -2.721 9.717 -9.054 1.00 0.00 O ATOM 295 CB LEU A 18 -1.387 6.782 -9.108 1.00 0.00 C ATOM 296 CG LEU A 18 -2.906 6.457 -9.241 1.00 0.00 C ATOM 297 CD1 LEU A 18 -3.445 6.703 -10.670 1.00 0.00 C ATOM 298 CD2 LEU A 18 -3.176 5.007 -8.796 1.00 0.00 C ATOM 0 H LEU A 18 0.964 7.454 -9.039 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.239 8.315 -10.609 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.830 6.036 -9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.105 6.663 -8.062 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.444 7.142 -8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.507 6.461 -10.705 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.303 7.750 -10.937 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.905 6.072 -11.376 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.240 4.789 -8.892 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.607 4.322 -9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.873 4.883 -7.756 1.00 0.00 H new ATOM 310 N SER A 19 -0.854 9.806 -7.720 1.00 0.00 N ATOM 311 CA SER A 19 -1.222 10.973 -6.861 1.00 0.00 C ATOM 312 C SER A 19 -2.202 10.501 -5.792 1.00 0.00 C ATOM 313 O SER A 19 -3.095 9.749 -6.108 1.00 0.00 O ATOM 314 CB SER A 19 -1.787 12.180 -7.666 1.00 0.00 C ATOM 315 OG SER A 19 -2.146 13.270 -6.825 1.00 0.00 O ATOM 0 H SER A 19 0.033 9.383 -7.446 1.00 0.00 H new ATOM 0 HA SER A 19 -0.313 11.350 -6.393 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.042 12.512 -8.389 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.661 11.859 -8.233 1.00 0.00 H new ATOM 0 HG SER A 19 -2.494 14.005 -7.372 1.00 0.00 H new ATOM 321 N ARG A 20 -2.039 10.970 -4.541 1.00 0.00 N ATOM 322 CA ARG A 20 -2.760 10.413 -3.363 1.00 0.00 C ATOM 323 C ARG A 20 -4.294 10.502 -3.522 1.00 0.00 C ATOM 324 O ARG A 20 -5.010 9.524 -3.267 1.00 0.00 O ATOM 325 CB ARG A 20 -2.320 11.131 -2.060 1.00 0.00 C ATOM 326 CG ARG A 20 -0.875 10.829 -1.617 1.00 0.00 C ATOM 327 CD ARG A 20 -0.495 11.543 -0.305 1.00 0.00 C ATOM 328 NE ARG A 20 -1.378 11.160 0.815 1.00 0.00 N ATOM 329 CZ ARG A 20 -1.356 11.702 2.043 1.00 0.00 C ATOM 330 NH1 ARG A 20 -0.510 12.678 2.345 1.00 0.00 N ATOM 331 NH2 ARG A 20 -2.206 11.269 2.966 1.00 0.00 N ATOM 0 H ARG A 20 -1.411 11.740 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.494 9.358 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.426 12.207 -2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.999 10.846 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.756 9.753 -1.488 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.186 11.134 -2.405 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.537 11.304 -0.049 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.546 12.622 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.061 10.423 0.641 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.138 13.028 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.507 13.078 3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.870 10.529 2.740 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.195 11.676 3.901 1.00 0.00 H new ATOM 345 N ALA A 21 -4.767 11.675 -3.972 1.00 0.00 N ATOM 346 CA ALA A 21 -6.192 11.946 -4.213 1.00 0.00 C ATOM 347 C ALA A 21 -6.764 11.027 -5.305 1.00 0.00 C ATOM 348 O ALA A 21 -7.799 10.378 -5.115 1.00 0.00 O ATOM 349 CB ALA A 21 -6.373 13.420 -4.597 1.00 0.00 C ATOM 0 H ALA A 21 -4.163 12.470 -4.181 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.744 11.740 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.429 13.622 -4.776 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -6.014 14.054 -3.786 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.804 13.633 -5.502 1.00 0.00 H new ATOM 355 N ALA A 22 -6.059 10.976 -6.447 1.00 0.00 N ATOM 356 CA ALA A 22 -6.467 10.176 -7.612 1.00 0.00 C ATOM 357 C ALA A 22 -6.239 8.664 -7.376 1.00 0.00 C ATOM 358 O ALA A 22 -6.833 7.833 -8.066 1.00 0.00 O ATOM 359 CB ALA A 22 -5.722 10.664 -8.862 1.00 0.00 C ATOM 0 H ALA A 22 -5.189 11.489 -6.588 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.538 10.312 -7.765 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.027 10.069 -9.723 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.961 11.712 -9.042 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.648 10.558 -8.710 1.00 0.00 H new ATOM 365 N ALA A 23 -5.383 8.325 -6.395 1.00 0.00 N ATOM 366 CA ALA A 23 -5.076 6.936 -6.008 1.00 0.00 C ATOM 367 C ALA A 23 -6.242 6.326 -5.226 1.00 0.00 C ATOM 368 O ALA A 23 -6.751 5.264 -5.591 1.00 0.00 O ATOM 369 CB ALA A 23 -3.784 6.889 -5.170 1.00 0.00 C ATOM 0 H ALA A 23 -4.878 9.017 -5.841 1.00 0.00 H new ATOM 0 HA ALA A 23 -4.926 6.349 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.569 5.858 -4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.956 7.287 -5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.912 7.489 -4.269 1.00 0.00 H new ATOM 375 N GLU A 24 -6.667 7.031 -4.157 1.00 0.00 N ATOM 376 CA GLU A 24 -7.801 6.609 -3.320 1.00 0.00 C ATOM 377 C GLU A 24 -9.129 6.724 -4.094 1.00 0.00 C ATOM 378 O GLU A 24 -10.111 6.057 -3.748 1.00 0.00 O ATOM 379 CB GLU A 24 -7.813 7.394 -1.971 1.00 0.00 C ATOM 380 CG GLU A 24 -7.944 8.941 -2.064 1.00 0.00 C ATOM 381 CD GLU A 24 -9.380 9.478 -1.884 1.00 0.00 C ATOM 382 OE1 GLU A 24 -10.160 9.482 -2.855 1.00 0.00 O ATOM 383 OE2 GLU A 24 -9.735 9.896 -0.759 1.00 0.00 O ATOM 0 H GLU A 24 -6.234 7.903 -3.854 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.681 5.555 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.638 7.018 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.893 7.162 -1.434 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.304 9.393 -1.306 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.568 9.266 -3.034 1.00 0.00 H new ATOM 390 N GLU A 25 -9.135 7.569 -5.145 1.00 0.00 N ATOM 391 CA GLU A 25 -10.259 7.671 -6.086 1.00 0.00 C ATOM 392 C GLU A 25 -10.330 6.415 -6.982 1.00 0.00 C ATOM 393 O GLU A 25 -11.399 5.824 -7.124 1.00 0.00 O ATOM 394 CB GLU A 25 -10.124 8.934 -6.971 1.00 0.00 C ATOM 395 CG GLU A 25 -11.339 9.189 -7.891 1.00 0.00 C ATOM 396 CD GLU A 25 -11.084 10.250 -8.971 1.00 0.00 C ATOM 397 OE1 GLU A 25 -11.331 11.453 -8.728 1.00 0.00 O ATOM 398 OE2 GLU A 25 -10.643 9.874 -10.077 1.00 0.00 O ATOM 0 H GLU A 25 -8.361 8.197 -5.361 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.177 7.747 -5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.980 9.802 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.229 8.840 -7.586 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.621 8.253 -8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.186 9.501 -7.281 1.00 0.00 H new ATOM 405 N LEU A 26 -9.186 6.049 -7.612 1.00 0.00 N ATOM 406 CA LEU A 26 -9.059 4.803 -8.423 1.00 0.00 C ATOM 407 C LEU A 26 -9.384 3.551 -7.591 1.00 0.00 C ATOM 408 O LEU A 26 -9.911 2.566 -8.122 1.00 0.00 O ATOM 409 CB LEU A 26 -7.641 4.666 -9.053 1.00 0.00 C ATOM 410 CG LEU A 26 -7.408 3.386 -9.945 1.00 0.00 C ATOM 411 CD1 LEU A 26 -8.396 3.322 -11.134 1.00 0.00 C ATOM 412 CD2 LEU A 26 -5.940 3.286 -10.424 1.00 0.00 C ATOM 0 H LEU A 26 -8.329 6.602 -7.576 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.787 4.882 -9.230 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.447 5.550 -9.661 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.905 4.664 -8.249 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.608 2.519 -9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.200 2.425 -11.722 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.418 3.293 -10.757 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.267 4.203 -11.762 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.817 2.392 -11.036 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.689 4.167 -11.014 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.278 3.228 -9.560 1.00 0.00 H new ATOM 424 N LEU A 27 -9.081 3.611 -6.286 1.00 0.00 N ATOM 425 CA LEU A 27 -9.494 2.572 -5.341 1.00 0.00 C ATOM 426 C LEU A 27 -11.033 2.541 -5.310 1.00 0.00 C ATOM 427 O LEU A 27 -11.629 1.574 -5.744 1.00 0.00 O ATOM 428 CB LEU A 27 -8.897 2.817 -3.927 1.00 0.00 C ATOM 429 CG LEU A 27 -7.357 2.590 -3.781 1.00 0.00 C ATOM 430 CD1 LEU A 27 -6.843 3.052 -2.402 1.00 0.00 C ATOM 431 CD2 LEU A 27 -6.983 1.114 -4.042 1.00 0.00 C ATOM 0 H LEU A 27 -8.550 4.372 -5.863 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.113 1.604 -5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.122 3.842 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.409 2.163 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.866 3.202 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.769 2.879 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.047 4.115 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.349 2.489 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.906 0.987 -3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.498 0.476 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.281 0.837 -5.053 1.00 0.00 H new ATOM 443 N ALA A 28 -11.649 3.676 -4.932 1.00 0.00 N ATOM 444 CA ALA A 28 -13.116 3.804 -4.771 1.00 0.00 C ATOM 445 C ALA A 28 -13.902 3.365 -6.031 1.00 0.00 C ATOM 446 O ALA A 28 -14.939 2.705 -5.925 1.00 0.00 O ATOM 447 CB ALA A 28 -13.467 5.250 -4.385 1.00 0.00 C ATOM 0 H ALA A 28 -11.143 4.538 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.418 3.126 -3.973 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.547 5.343 -4.267 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -12.976 5.505 -3.446 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.128 5.928 -5.168 1.00 0.00 H new ATOM 453 N ARG A 29 -13.381 3.728 -7.216 1.00 0.00 N ATOM 454 CA ARG A 29 -14.035 3.463 -8.509 1.00 0.00 C ATOM 455 C ARG A 29 -13.855 1.992 -8.958 1.00 0.00 C ATOM 456 O ARG A 29 -14.839 1.295 -9.229 1.00 0.00 O ATOM 457 CB ARG A 29 -13.466 4.426 -9.592 1.00 0.00 C ATOM 458 CG ARG A 29 -14.344 4.534 -10.863 1.00 0.00 C ATOM 459 CD ARG A 29 -13.727 5.431 -11.958 1.00 0.00 C ATOM 460 NE ARG A 29 -13.286 6.745 -11.447 1.00 0.00 N ATOM 461 CZ ARG A 29 -14.081 7.768 -11.078 1.00 0.00 C ATOM 462 NH1 ARG A 29 -15.403 7.662 -11.095 1.00 0.00 N ATOM 463 NH2 ARG A 29 -13.533 8.881 -10.645 1.00 0.00 N ATOM 0 H ARG A 29 -12.490 4.216 -7.304 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.104 3.638 -8.385 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -13.351 5.419 -9.157 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.471 4.087 -9.878 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -14.506 3.536 -11.270 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -15.322 4.929 -10.588 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.876 4.917 -12.404 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -14.459 5.583 -12.751 1.00 0.00 H new ATOM 0 HE ARG A 29 -12.280 6.892 -11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -15.841 6.790 -11.393 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -15.982 8.452 -10.810 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -12.518 8.962 -10.592 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -14.123 9.664 -10.362 1.00 0.00 H new ATOM 477 N ALA A 30 -12.587 1.542 -9.038 1.00 0.00 N ATOM 478 CA ALA A 30 -12.233 0.220 -9.604 1.00 0.00 C ATOM 479 C ALA A 30 -12.411 -0.893 -8.568 1.00 0.00 C ATOM 480 O ALA A 30 -13.239 -1.797 -8.744 1.00 0.00 O ATOM 481 CB ALA A 30 -10.782 0.236 -10.120 1.00 0.00 C ATOM 0 H ALA A 30 -11.782 2.079 -8.715 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.908 0.018 -10.436 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -10.532 -0.741 -10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.680 0.995 -10.895 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.105 0.465 -9.297 1.00 0.00 H new ATOM 487 N GLY A 31 -11.661 -0.789 -7.468 1.00 0.00 N ATOM 488 CA GLY A 31 -11.658 -1.791 -6.410 1.00 0.00 C ATOM 489 C GLY A 31 -12.200 -1.174 -5.139 1.00 0.00 C ATOM 490 O GLY A 31 -11.435 -0.736 -4.274 1.00 0.00 O ATOM 0 H GLY A 31 -11.037 -0.002 -7.290 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -12.267 -2.647 -6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.646 -2.161 -6.246 1.00 0.00 H new ATOM 494 N ARG A 32 -13.531 -1.129 -5.047 1.00 0.00 N ATOM 495 CA ARG A 32 -14.267 -0.319 -4.050 1.00 0.00 C ATOM 496 C ARG A 32 -14.154 -0.841 -2.588 1.00 0.00 C ATOM 497 O ARG A 32 -14.888 -0.358 -1.727 1.00 0.00 O ATOM 498 CB ARG A 32 -15.766 -0.242 -4.460 1.00 0.00 C ATOM 499 CG ARG A 32 -16.487 -1.612 -4.479 1.00 0.00 C ATOM 500 CD ARG A 32 -18.011 -1.490 -4.627 1.00 0.00 C ATOM 501 NE ARG A 32 -18.688 -2.800 -4.523 1.00 0.00 N ATOM 502 CZ ARG A 32 -19.074 -3.392 -3.380 1.00 0.00 C ATOM 503 NH1 ARG A 32 -18.815 -2.849 -2.187 1.00 0.00 N ATOM 504 NH2 ARG A 32 -19.715 -4.548 -3.439 1.00 0.00 N ATOM 0 H ARG A 32 -14.144 -1.658 -5.667 1.00 0.00 H new ATOM 0 HA ARG A 32 -13.801 0.666 -4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -16.287 0.421 -3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -15.838 0.208 -5.450 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.095 -2.211 -5.301 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.259 -2.148 -3.558 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -18.397 -0.821 -3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -18.246 -1.037 -5.590 1.00 0.00 H new ATOM 0 HE ARG A 32 -18.878 -3.297 -5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -18.313 -1.963 -2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -19.120 -3.320 -1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.910 -4.978 -4.343 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -20.014 -5.010 -2.580 1.00 0.00 H new ATOM 518 N ASP A 33 -13.202 -1.757 -2.298 1.00 0.00 N ATOM 519 CA ASP A 33 -13.093 -2.460 -1.001 1.00 0.00 C ATOM 520 C ASP A 33 -11.967 -3.504 -1.099 1.00 0.00 C ATOM 521 O ASP A 33 -11.812 -4.143 -2.145 1.00 0.00 O ATOM 522 CB ASP A 33 -14.430 -3.133 -0.538 1.00 0.00 C ATOM 523 CG ASP A 33 -14.937 -4.290 -1.420 1.00 0.00 C ATOM 524 OD1 ASP A 33 -15.676 -4.039 -2.394 1.00 0.00 O ATOM 525 OD2 ASP A 33 -14.623 -5.461 -1.126 1.00 0.00 O ATOM 0 H ASP A 33 -12.481 -2.031 -2.965 1.00 0.00 H new ATOM 0 HA ASP A 33 -12.863 -1.714 -0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.294 -3.507 0.477 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.205 -2.367 -0.495 1.00 0.00 H new ATOM 530 N GLY A 34 -11.148 -3.620 -0.033 1.00 0.00 N ATOM 531 CA GLY A 34 -10.062 -4.613 0.047 1.00 0.00 C ATOM 532 C GLY A 34 -8.834 -4.305 -0.819 1.00 0.00 C ATOM 533 O GLY A 34 -7.829 -5.013 -0.741 1.00 0.00 O ATOM 0 H GLY A 34 -11.223 -3.028 0.794 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.743 -4.697 1.086 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.458 -5.586 -0.244 1.00 0.00 H new ATOM 537 N SER A 35 -8.899 -3.239 -1.621 1.00 0.00 N ATOM 538 CA SER A 35 -7.929 -2.990 -2.695 1.00 0.00 C ATOM 539 C SER A 35 -6.700 -2.233 -2.215 1.00 0.00 C ATOM 540 O SER A 35 -6.713 -1.615 -1.160 1.00 0.00 O ATOM 541 CB SER A 35 -8.624 -2.242 -3.834 1.00 0.00 C ATOM 542 OG SER A 35 -9.717 -3.000 -4.308 1.00 0.00 O ATOM 0 H SER A 35 -9.623 -2.525 -1.546 1.00 0.00 H new ATOM 0 HA SER A 35 -7.567 -3.954 -3.052 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.969 -1.269 -3.485 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.919 -2.058 -4.644 1.00 0.00 H new ATOM 0 HG SER A 35 -10.524 -2.761 -3.805 1.00 0.00 H new ATOM 548 N PHE A 36 -5.634 -2.303 -3.020 1.00 0.00 N ATOM 549 CA PHE A 36 -4.378 -1.602 -2.770 1.00 0.00 C ATOM 550 C PHE A 36 -3.693 -1.299 -4.103 1.00 0.00 C ATOM 551 O PHE A 36 -3.865 -2.041 -5.081 1.00 0.00 O ATOM 552 CB PHE A 36 -3.431 -2.443 -1.873 1.00 0.00 C ATOM 553 CG PHE A 36 -2.802 -3.666 -2.564 1.00 0.00 C ATOM 554 CD1 PHE A 36 -3.524 -4.841 -2.739 1.00 0.00 C ATOM 555 CD2 PHE A 36 -1.490 -3.624 -3.054 1.00 0.00 C ATOM 556 CE1 PHE A 36 -2.962 -5.936 -3.375 1.00 0.00 C ATOM 557 CE2 PHE A 36 -0.937 -4.714 -3.692 1.00 0.00 C ATOM 558 CZ PHE A 36 -1.671 -5.869 -3.850 1.00 0.00 C ATOM 0 H PHE A 36 -5.624 -2.858 -3.876 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.601 -0.673 -2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.631 -1.798 -1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.988 -2.783 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.539 -4.901 -2.374 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.904 -2.725 -2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.536 -6.842 -3.498 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.074 -4.662 -4.069 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.234 -6.723 -4.347 1.00 0.00 H new ATOM 568 N LEU A 37 -2.886 -0.241 -4.112 1.00 0.00 N ATOM 569 CA LEU A 37 -2.001 0.089 -5.230 1.00 0.00 C ATOM 570 C LEU A 37 -0.753 0.809 -4.710 1.00 0.00 C ATOM 571 O LEU A 37 -0.786 1.427 -3.642 1.00 0.00 O ATOM 572 CB LEU A 37 -2.787 0.904 -6.314 1.00 0.00 C ATOM 573 CG LEU A 37 -3.629 2.130 -5.812 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.763 3.364 -5.500 1.00 0.00 C ATOM 575 CD2 LEU A 37 -4.772 2.482 -6.800 1.00 0.00 C ATOM 0 H LEU A 37 -2.826 0.419 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.654 -0.821 -5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.071 1.265 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.460 0.220 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.081 1.821 -4.870 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.401 4.179 -5.158 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.042 3.115 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.232 3.673 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.333 3.335 -6.419 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.348 2.732 -7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.439 1.627 -6.904 1.00 0.00 H new ATOM 587 N VAL A 38 0.343 0.724 -5.467 1.00 0.00 N ATOM 588 CA VAL A 38 1.597 1.427 -5.161 1.00 0.00 C ATOM 589 C VAL A 38 1.821 2.486 -6.244 1.00 0.00 C ATOM 590 O VAL A 38 1.665 2.214 -7.423 1.00 0.00 O ATOM 591 CB VAL A 38 2.832 0.448 -5.072 1.00 0.00 C ATOM 592 CG1 VAL A 38 4.174 1.209 -4.905 1.00 0.00 C ATOM 593 CG2 VAL A 38 2.638 -0.584 -3.929 1.00 0.00 C ATOM 0 H VAL A 38 0.389 0.162 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 38 1.511 1.892 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 38 2.883 -0.088 -6.020 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.994 0.493 -4.848 1.00 0.00 H new ATOM 0 HG12 VAL A 38 4.327 1.869 -5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.145 1.801 -3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.502 -1.248 -3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.537 -0.060 -2.979 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.739 -1.170 -4.117 1.00 0.00 H new ATOM 603 N ARG A 39 2.129 3.705 -5.831 1.00 0.00 N ATOM 604 CA ARG A 39 2.467 4.809 -6.728 1.00 0.00 C ATOM 605 C ARG A 39 3.875 5.302 -6.423 1.00 0.00 C ATOM 606 O ARG A 39 4.482 4.894 -5.434 1.00 0.00 O ATOM 607 CB ARG A 39 1.431 5.962 -6.595 1.00 0.00 C ATOM 608 CG ARG A 39 1.078 6.356 -5.143 1.00 0.00 C ATOM 609 CD ARG A 39 0.346 7.707 -5.053 1.00 0.00 C ATOM 610 NE ARG A 39 1.258 8.836 -5.352 1.00 0.00 N ATOM 611 CZ ARG A 39 1.853 9.611 -4.425 1.00 0.00 C ATOM 612 NH1 ARG A 39 1.654 9.397 -3.132 1.00 0.00 N ATOM 613 NH2 ARG A 39 2.675 10.578 -4.794 1.00 0.00 N ATOM 0 H ARG A 39 2.153 3.964 -4.845 1.00 0.00 H new ATOM 0 HA ARG A 39 2.435 4.454 -7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.819 6.841 -7.110 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.516 5.669 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.453 5.579 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.992 6.403 -4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.490 7.717 -5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.073 7.830 -4.054 1.00 0.00 H new ATOM 0 HE ARG A 39 1.449 9.041 -6.333 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.044 8.638 -2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.111 9.991 -2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.861 10.740 -5.784 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.124 11.163 -4.089 1.00 0.00 H new ATOM 627 N ASP A 40 4.385 6.171 -7.296 1.00 0.00 N ATOM 628 CA ASP A 40 5.655 6.863 -7.066 1.00 0.00 C ATOM 629 C ASP A 40 5.372 8.089 -6.189 1.00 0.00 C ATOM 630 O ASP A 40 4.438 8.858 -6.478 1.00 0.00 O ATOM 631 CB ASP A 40 6.297 7.274 -8.410 1.00 0.00 C ATOM 632 CG ASP A 40 7.633 8.014 -8.250 1.00 0.00 C ATOM 633 OD1 ASP A 40 8.592 7.400 -7.750 1.00 0.00 O ATOM 634 OD2 ASP A 40 7.740 9.199 -8.648 1.00 0.00 O ATOM 0 H ASP A 40 3.933 6.415 -8.178 1.00 0.00 H new ATOM 0 HA ASP A 40 6.362 6.205 -6.561 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.455 6.382 -9.016 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.601 7.911 -8.956 1.00 0.00 H new ATOM 639 N SER A 41 6.158 8.240 -5.112 1.00 0.00 N ATOM 640 CA SER A 41 5.978 9.310 -4.120 1.00 0.00 C ATOM 641 C SER A 41 6.304 10.686 -4.724 1.00 0.00 C ATOM 642 O SER A 41 7.113 10.804 -5.643 1.00 0.00 O ATOM 643 CB SER A 41 6.854 9.041 -2.871 1.00 0.00 C ATOM 644 OG SER A 41 6.648 10.007 -1.843 1.00 0.00 O ATOM 0 H SER A 41 6.940 7.620 -4.904 1.00 0.00 H new ATOM 0 HA SER A 41 4.931 9.318 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.631 8.048 -2.482 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.905 9.042 -3.161 1.00 0.00 H new ATOM 0 HG SER A 41 7.220 9.795 -1.076 1.00 0.00 H new ATOM 650 N GLU A 42 5.663 11.713 -4.172 1.00 0.00 N ATOM 651 CA GLU A 42 5.831 13.118 -4.585 1.00 0.00 C ATOM 652 C GLU A 42 6.556 13.828 -3.431 1.00 0.00 C ATOM 653 O GLU A 42 7.420 14.688 -3.652 1.00 0.00 O ATOM 654 CB GLU A 42 4.426 13.741 -4.908 1.00 0.00 C ATOM 655 CG GLU A 42 4.428 15.107 -5.654 1.00 0.00 C ATOM 656 CD GLU A 42 4.819 16.320 -4.781 1.00 0.00 C ATOM 657 OE1 GLU A 42 4.026 16.700 -3.895 1.00 0.00 O ATOM 658 OE2 GLU A 42 5.909 16.906 -4.983 1.00 0.00 O ATOM 0 H GLU A 42 4.997 11.597 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 42 6.423 13.222 -5.495 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.865 13.025 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.884 13.865 -3.971 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.118 15.045 -6.495 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.435 15.280 -6.069 1.00 0.00 H new ATOM 665 N SER A 43 6.199 13.409 -2.194 1.00 0.00 N ATOM 666 CA SER A 43 6.851 13.839 -0.943 1.00 0.00 C ATOM 667 C SER A 43 8.370 13.591 -0.997 1.00 0.00 C ATOM 668 O SER A 43 9.167 14.467 -0.641 1.00 0.00 O ATOM 669 CB SER A 43 6.216 13.067 0.245 1.00 0.00 C ATOM 670 OG SER A 43 6.817 13.401 1.490 1.00 0.00 O ATOM 0 H SER A 43 5.435 12.751 -2.039 1.00 0.00 H new ATOM 0 HA SER A 43 6.699 14.910 -0.810 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.149 13.286 0.289 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.314 11.995 0.073 1.00 0.00 H new ATOM 0 HG SER A 43 6.119 13.624 2.141 1.00 0.00 H new ATOM 676 N VAL A 44 8.759 12.394 -1.477 1.00 0.00 N ATOM 677 CA VAL A 44 10.167 11.960 -1.539 1.00 0.00 C ATOM 678 C VAL A 44 10.478 11.430 -2.956 1.00 0.00 C ATOM 679 O VAL A 44 9.888 10.434 -3.384 1.00 0.00 O ATOM 680 CB VAL A 44 10.481 10.840 -0.467 1.00 0.00 C ATOM 681 CG1 VAL A 44 11.965 10.392 -0.551 1.00 0.00 C ATOM 682 CG2 VAL A 44 10.108 11.303 0.972 1.00 0.00 C ATOM 0 H VAL A 44 8.103 11.699 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 44 10.798 12.820 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 44 9.857 9.977 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 44 12.155 9.622 0.196 1.00 0.00 H new ATOM 0 HG12 VAL A 44 12.169 9.992 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 44 12.614 11.247 -0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.338 10.508 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.682 12.194 1.228 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.043 11.532 1.016 1.00 0.00 H new ATOM 692 N ALA A 45 11.391 12.119 -3.675 1.00 0.00 N ATOM 693 CA ALA A 45 11.885 11.681 -4.999 1.00 0.00 C ATOM 694 C ALA A 45 12.758 10.413 -4.869 1.00 0.00 C ATOM 695 O ALA A 45 13.665 10.364 -4.026 1.00 0.00 O ATOM 696 CB ALA A 45 12.677 12.811 -5.674 1.00 0.00 C ATOM 0 H ALA A 45 11.806 12.994 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 45 11.024 11.438 -5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 45 13.034 12.474 -6.647 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.032 13.680 -5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 45 13.528 13.082 -5.049 1.00 0.00 H new ATOM 702 N GLY A 46 12.465 9.386 -5.698 1.00 0.00 N ATOM 703 CA GLY A 46 13.173 8.096 -5.654 1.00 0.00 C ATOM 704 C GLY A 46 12.470 7.065 -4.769 1.00 0.00 C ATOM 705 O GLY A 46 12.938 5.921 -4.648 1.00 0.00 O ATOM 0 H GLY A 46 11.736 9.431 -6.410 1.00 0.00 H new ATOM 0 HA2 GLY A 46 13.261 7.700 -6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 46 14.186 8.255 -5.285 1.00 0.00 H new ATOM 709 N ALA A 47 11.336 7.469 -4.155 1.00 0.00 N ATOM 710 CA ALA A 47 10.558 6.626 -3.223 1.00 0.00 C ATOM 711 C ALA A 47 9.151 6.314 -3.765 1.00 0.00 C ATOM 712 O ALA A 47 8.749 6.796 -4.825 1.00 0.00 O ATOM 713 CB ALA A 47 10.474 7.312 -1.851 1.00 0.00 C ATOM 0 H ALA A 47 10.933 8.396 -4.294 1.00 0.00 H new ATOM 0 HA ALA A 47 11.076 5.673 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.900 6.688 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.479 7.456 -1.454 1.00 0.00 H new ATOM 0 HB3 ALA A 47 9.984 8.280 -1.957 1.00 0.00 H new ATOM 719 N PHE A 48 8.416 5.493 -2.994 1.00 0.00 N ATOM 720 CA PHE A 48 7.073 4.989 -3.339 1.00 0.00 C ATOM 721 C PHE A 48 6.071 5.302 -2.204 1.00 0.00 C ATOM 722 O PHE A 48 6.463 5.724 -1.096 1.00 0.00 O ATOM 723 CB PHE A 48 7.120 3.456 -3.592 1.00 0.00 C ATOM 724 CG PHE A 48 8.202 3.014 -4.577 1.00 0.00 C ATOM 725 CD1 PHE A 48 8.055 3.236 -5.945 1.00 0.00 C ATOM 726 CD2 PHE A 48 9.376 2.397 -4.130 1.00 0.00 C ATOM 727 CE1 PHE A 48 9.045 2.853 -6.833 1.00 0.00 C ATOM 728 CE2 PHE A 48 10.360 2.012 -5.020 1.00 0.00 C ATOM 729 CZ PHE A 48 10.196 2.244 -6.373 1.00 0.00 C ATOM 0 H PHE A 48 8.747 5.153 -2.091 1.00 0.00 H new ATOM 0 HA PHE A 48 6.742 5.489 -4.249 1.00 0.00 H new ATOM 0 HB2 PHE A 48 7.281 2.947 -2.641 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.149 3.131 -3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.159 3.712 -6.316 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.515 2.219 -3.074 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.917 3.031 -7.890 1.00 0.00 H new ATOM 0 HE2 PHE A 48 11.257 1.530 -4.659 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.967 1.949 -7.069 1.00 0.00 H new ATOM 739 N ALA A 49 4.780 5.100 -2.518 1.00 0.00 N ATOM 740 CA ALA A 49 3.651 5.218 -1.577 1.00 0.00 C ATOM 741 C ALA A 49 2.635 4.079 -1.836 1.00 0.00 C ATOM 742 O ALA A 49 2.488 3.646 -2.970 1.00 0.00 O ATOM 743 CB ALA A 49 2.985 6.600 -1.710 1.00 0.00 C ATOM 0 H ALA A 49 4.484 4.843 -3.460 1.00 0.00 H new ATOM 0 HA ALA A 49 4.021 5.124 -0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.153 6.672 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.715 7.379 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.615 6.729 -2.727 1.00 0.00 H new ATOM 749 N LEU A 50 1.938 3.610 -0.782 1.00 0.00 N ATOM 750 CA LEU A 50 0.977 2.478 -0.855 1.00 0.00 C ATOM 751 C LEU A 50 -0.391 2.949 -0.337 1.00 0.00 C ATOM 752 O LEU A 50 -0.530 3.254 0.837 1.00 0.00 O ATOM 753 CB LEU A 50 1.491 1.267 -0.013 1.00 0.00 C ATOM 754 CG LEU A 50 0.526 0.040 0.150 1.00 0.00 C ATOM 755 CD1 LEU A 50 0.180 -0.621 -1.202 1.00 0.00 C ATOM 756 CD2 LEU A 50 1.104 -0.996 1.148 1.00 0.00 C ATOM 0 H LEU A 50 2.023 4.006 0.154 1.00 0.00 H new ATOM 0 HA LEU A 50 0.882 2.151 -1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.416 0.910 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.743 1.632 0.983 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.408 0.425 0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.490 -1.464 -1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.309 0.108 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.094 -0.974 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.415 -1.835 1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.066 -1.356 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.238 -0.527 2.123 1.00 0.00 H new ATOM 768 N CYS A 51 -1.396 2.983 -1.217 1.00 0.00 N ATOM 769 CA CYS A 51 -2.761 3.429 -0.882 1.00 0.00 C ATOM 770 C CYS A 51 -3.678 2.196 -0.843 1.00 0.00 C ATOM 771 O CYS A 51 -3.796 1.484 -1.841 1.00 0.00 O ATOM 772 CB CYS A 51 -3.244 4.457 -1.929 1.00 0.00 C ATOM 773 SG CYS A 51 -2.141 5.874 -2.110 1.00 0.00 S ATOM 0 H CYS A 51 -1.289 2.700 -2.191 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.779 3.916 0.093 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -3.346 3.960 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.235 4.812 -1.647 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.831 6.919 -2.458 1.00 0.00 H new ATOM 779 N VAL A 52 -4.326 1.955 0.310 1.00 0.00 N ATOM 780 CA VAL A 52 -5.139 0.739 0.561 1.00 0.00 C ATOM 781 C VAL A 52 -6.539 1.181 1.026 1.00 0.00 C ATOM 782 O VAL A 52 -6.644 2.033 1.902 1.00 0.00 O ATOM 783 CB VAL A 52 -4.489 -0.197 1.663 1.00 0.00 C ATOM 784 CG1 VAL A 52 -5.195 -1.582 1.739 1.00 0.00 C ATOM 785 CG2 VAL A 52 -2.963 -0.354 1.458 1.00 0.00 C ATOM 0 H VAL A 52 -4.304 2.598 1.102 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.193 0.163 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.640 0.297 2.623 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.718 -2.192 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.247 -1.441 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.115 -2.084 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.556 -1.003 2.234 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.771 -0.794 0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.486 0.624 1.516 1.00 0.00 H new ATOM 795 N LEU A 53 -7.605 0.607 0.447 1.00 0.00 N ATOM 796 CA LEU A 53 -9.000 0.965 0.755 1.00 0.00 C ATOM 797 C LEU A 53 -9.777 -0.278 1.197 1.00 0.00 C ATOM 798 O LEU A 53 -9.890 -1.230 0.421 1.00 0.00 O ATOM 799 CB LEU A 53 -9.695 1.550 -0.510 1.00 0.00 C ATOM 800 CG LEU A 53 -11.204 1.926 -0.352 1.00 0.00 C ATOM 801 CD1 LEU A 53 -11.396 3.046 0.689 1.00 0.00 C ATOM 802 CD2 LEU A 53 -11.836 2.301 -1.709 1.00 0.00 C ATOM 0 H LEU A 53 -7.523 -0.127 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.993 1.706 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.150 2.441 -0.820 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.605 0.824 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.726 1.043 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.456 3.284 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.019 2.713 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -10.849 3.934 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.885 2.557 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.309 3.156 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -11.760 1.455 -2.392 1.00 0.00 H new ATOM 814 N TYR A 54 -10.287 -0.287 2.437 1.00 0.00 N ATOM 815 CA TYR A 54 -11.279 -1.280 2.894 1.00 0.00 C ATOM 816 C TYR A 54 -12.386 -0.562 3.695 1.00 0.00 C ATOM 817 O TYR A 54 -12.072 0.217 4.596 1.00 0.00 O ATOM 818 CB TYR A 54 -10.551 -2.337 3.761 1.00 0.00 C ATOM 819 CG TYR A 54 -11.408 -3.511 4.261 1.00 0.00 C ATOM 820 CD1 TYR A 54 -12.080 -3.452 5.485 1.00 0.00 C ATOM 821 CD2 TYR A 54 -11.527 -4.688 3.518 1.00 0.00 C ATOM 822 CE1 TYR A 54 -12.836 -4.511 5.941 1.00 0.00 C ATOM 823 CE2 TYR A 54 -12.287 -5.750 3.976 1.00 0.00 C ATOM 824 CZ TYR A 54 -12.938 -5.655 5.185 1.00 0.00 C ATOM 825 OH TYR A 54 -13.690 -6.714 5.648 1.00 0.00 O ATOM 0 H TYR A 54 -10.026 0.391 3.153 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.747 -1.782 2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.720 -2.741 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -10.121 -1.833 4.627 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -12.006 -2.558 6.086 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -11.017 -4.771 2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -13.347 -4.442 6.890 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -12.369 -6.651 3.386 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.661 -7.445 4.996 1.00 0.00 H new ATOM 835 N GLN A 55 -13.662 -0.870 3.372 1.00 0.00 N ATOM 836 CA GLN A 55 -14.876 -0.230 3.968 1.00 0.00 C ATOM 837 C GLN A 55 -14.750 1.310 4.130 1.00 0.00 C ATOM 838 O GLN A 55 -14.760 1.827 5.258 1.00 0.00 O ATOM 839 CB GLN A 55 -15.253 -0.896 5.330 1.00 0.00 C ATOM 840 CG GLN A 55 -15.754 -2.350 5.245 1.00 0.00 C ATOM 841 CD GLN A 55 -16.154 -2.939 6.604 1.00 0.00 C ATOM 842 OE1 GLN A 55 -16.588 -2.221 7.505 1.00 0.00 O ATOM 843 NE2 GLN A 55 -16.007 -4.250 6.764 1.00 0.00 N ATOM 0 H GLN A 55 -13.891 -1.582 2.678 1.00 0.00 H new ATOM 0 HA GLN A 55 -15.681 -0.400 3.253 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -14.379 -0.869 5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -16.025 -0.292 5.808 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -16.611 -2.392 4.573 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.973 -2.970 4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -15.645 -4.820 5.999 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.256 -4.687 7.651 1.00 0.00 H new ATOM 852 N LYS A 56 -14.578 2.012 2.994 1.00 0.00 N ATOM 853 CA LYS A 56 -14.458 3.505 2.910 1.00 0.00 C ATOM 854 C LYS A 56 -13.209 4.077 3.655 1.00 0.00 C ATOM 855 O LYS A 56 -12.955 5.287 3.635 1.00 0.00 O ATOM 856 CB LYS A 56 -15.795 4.174 3.384 1.00 0.00 C ATOM 857 CG LYS A 56 -15.885 5.713 3.197 1.00 0.00 C ATOM 858 CD LYS A 56 -17.269 6.295 3.569 1.00 0.00 C ATOM 859 CE LYS A 56 -18.385 5.806 2.626 1.00 0.00 C ATOM 860 NZ LYS A 56 -18.126 6.168 1.204 1.00 0.00 N ATOM 0 H LYS A 56 -14.515 1.560 2.082 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.291 3.759 1.863 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.621 3.713 2.844 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.938 3.946 4.440 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -15.121 6.192 3.809 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.662 5.959 2.159 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -17.514 6.015 4.593 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.222 7.384 3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.480 4.724 2.711 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -19.336 6.235 2.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.974 5.971 0.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.893 7.180 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.329 5.606 0.842 1.00 0.00 H new ATOM 874 N HIS A 57 -12.377 3.189 4.230 1.00 0.00 N ATOM 875 CA HIS A 57 -11.243 3.590 5.078 1.00 0.00 C ATOM 876 C HIS A 57 -9.946 3.440 4.271 1.00 0.00 C ATOM 877 O HIS A 57 -9.483 2.316 4.016 1.00 0.00 O ATOM 878 CB HIS A 57 -11.205 2.751 6.390 1.00 0.00 C ATOM 879 CG HIS A 57 -10.329 3.337 7.472 1.00 0.00 C ATOM 880 ND1 HIS A 57 -10.817 3.710 8.703 1.00 0.00 N ATOM 881 CD2 HIS A 57 -9.000 3.598 7.507 1.00 0.00 C ATOM 882 CE1 HIS A 57 -9.834 4.178 9.442 1.00 0.00 C ATOM 883 NE2 HIS A 57 -8.722 4.118 8.739 1.00 0.00 N ATOM 0 H HIS A 57 -12.472 2.179 4.120 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.356 4.632 5.376 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -12.220 2.651 6.774 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.852 1.747 6.156 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.292 3.427 6.709 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -9.924 4.548 10.453 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.801 4.413 9.063 1.00 0.00 H new ATOM 892 N VAL A 58 -9.396 4.590 3.856 1.00 0.00 N ATOM 893 CA VAL A 58 -8.123 4.678 3.134 1.00 0.00 C ATOM 894 C VAL A 58 -6.965 4.726 4.144 1.00 0.00 C ATOM 895 O VAL A 58 -7.064 5.397 5.169 1.00 0.00 O ATOM 896 CB VAL A 58 -8.061 5.957 2.207 1.00 0.00 C ATOM 897 CG1 VAL A 58 -6.738 6.013 1.385 1.00 0.00 C ATOM 898 CG2 VAL A 58 -9.297 6.031 1.280 1.00 0.00 C ATOM 0 H VAL A 58 -9.832 5.498 4.016 1.00 0.00 H new ATOM 0 HA VAL A 58 -8.037 3.797 2.498 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.074 6.831 2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.735 6.907 0.761 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.887 6.043 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.665 5.128 0.752 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.229 6.920 0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.332 5.143 0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -10.203 6.082 1.884 1.00 0.00 H new ATOM 908 N HIS A 59 -5.879 4.017 3.826 1.00 0.00 N ATOM 909 CA HIS A 59 -4.630 4.051 4.600 1.00 0.00 C ATOM 910 C HIS A 59 -3.488 4.165 3.592 1.00 0.00 C ATOM 911 O HIS A 59 -3.285 3.250 2.787 1.00 0.00 O ATOM 912 CB HIS A 59 -4.451 2.794 5.506 1.00 0.00 C ATOM 913 CG HIS A 59 -3.424 2.972 6.608 1.00 0.00 C ATOM 914 ND1 HIS A 59 -2.225 3.645 6.437 1.00 0.00 N ATOM 915 CD2 HIS A 59 -3.449 2.603 7.911 1.00 0.00 C ATOM 916 CE1 HIS A 59 -1.575 3.683 7.583 1.00 0.00 C ATOM 917 NE2 HIS A 59 -2.293 3.061 8.492 1.00 0.00 N ATOM 0 H HIS A 59 -5.839 3.397 3.017 1.00 0.00 H new ATOM 0 HA HIS A 59 -4.644 4.901 5.282 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.412 2.542 5.955 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -4.159 1.948 4.884 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -4.235 2.049 8.403 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.614 4.147 7.748 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -2.033 2.939 9.471 1.00 0.00 H new ATOM 926 N THR A 60 -2.758 5.283 3.630 1.00 0.00 N ATOM 927 CA THR A 60 -1.634 5.540 2.729 1.00 0.00 C ATOM 928 C THR A 60 -0.322 5.475 3.528 1.00 0.00 C ATOM 929 O THR A 60 -0.209 6.060 4.608 1.00 0.00 O ATOM 930 CB THR A 60 -1.790 6.927 2.021 1.00 0.00 C ATOM 931 OG1 THR A 60 -3.062 6.970 1.352 1.00 0.00 O ATOM 932 CG2 THR A 60 -0.658 7.206 1.002 1.00 0.00 C ATOM 0 H THR A 60 -2.932 6.039 4.292 1.00 0.00 H new ATOM 0 HA THR A 60 -1.617 4.778 1.950 1.00 0.00 H new ATOM 0 HB THR A 60 -1.728 7.699 2.788 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.949 6.699 0.417 1.00 0.00 H new ATOM 0 HG21 THR A 60 -0.816 8.181 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 60 0.304 7.199 1.515 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.664 6.435 0.232 1.00 0.00 H new ATOM 940 N TYR A 61 0.639 4.717 2.998 1.00 0.00 N ATOM 941 CA TYR A 61 1.979 4.542 3.567 1.00 0.00 C ATOM 942 C TYR A 61 2.983 5.238 2.650 1.00 0.00 C ATOM 943 O TYR A 61 2.701 5.459 1.467 1.00 0.00 O ATOM 944 CB TYR A 61 2.339 3.027 3.655 1.00 0.00 C ATOM 945 CG TYR A 61 1.340 2.181 4.459 1.00 0.00 C ATOM 946 CD1 TYR A 61 0.157 1.718 3.872 1.00 0.00 C ATOM 947 CD2 TYR A 61 1.570 1.861 5.798 1.00 0.00 C ATOM 948 CE1 TYR A 61 -0.749 0.973 4.593 1.00 0.00 C ATOM 949 CE2 TYR A 61 0.663 1.120 6.518 1.00 0.00 C ATOM 950 CZ TYR A 61 -0.490 0.680 5.913 1.00 0.00 C ATOM 951 OH TYR A 61 -1.399 -0.038 6.640 1.00 0.00 O ATOM 0 H TYR A 61 0.504 4.191 2.135 1.00 0.00 H new ATOM 0 HA TYR A 61 2.007 4.968 4.570 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.407 2.623 2.645 1.00 0.00 H new ATOM 0 HB3 TYR A 61 3.326 2.927 4.106 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -0.049 1.949 2.837 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.476 2.201 6.277 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.657 0.621 4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.856 0.885 7.554 1.00 0.00 H new ATOM 0 HH TYR A 61 -1.554 0.406 7.500 1.00 0.00 H new ATOM 961 N ARG A 62 4.129 5.607 3.207 1.00 0.00 N ATOM 962 CA ARG A 62 5.318 5.952 2.421 1.00 0.00 C ATOM 963 C ARG A 62 6.265 4.746 2.437 1.00 0.00 C ATOM 964 O ARG A 62 6.232 3.932 3.375 1.00 0.00 O ATOM 965 CB ARG A 62 5.993 7.248 2.936 1.00 0.00 C ATOM 966 CG ARG A 62 5.095 8.508 2.828 1.00 0.00 C ATOM 967 CD ARG A 62 5.870 9.816 3.061 1.00 0.00 C ATOM 968 NE ARG A 62 6.542 9.852 4.372 1.00 0.00 N ATOM 969 CZ ARG A 62 7.287 10.870 4.826 1.00 0.00 C ATOM 970 NH1 ARG A 62 7.447 11.975 4.108 1.00 0.00 N ATOM 971 NH2 ARG A 62 7.860 10.781 6.013 1.00 0.00 N ATOM 0 H ARG A 62 4.266 5.677 4.215 1.00 0.00 H new ATOM 0 HA ARG A 62 5.034 6.169 1.391 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.281 7.107 3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.910 7.418 2.372 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.634 8.536 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.287 8.436 3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.613 9.939 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.183 10.659 2.986 1.00 0.00 H new ATOM 0 HE ARG A 62 6.432 9.041 4.980 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.000 12.059 3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.017 12.740 4.469 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.734 9.941 6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.428 11.552 6.364 1.00 0.00 H new ATOM 985 N ILE A 63 7.142 4.656 1.427 1.00 0.00 N ATOM 986 CA ILE A 63 7.929 3.434 1.154 1.00 0.00 C ATOM 987 C ILE A 63 9.256 4.025 0.672 1.00 0.00 C ATOM 988 O ILE A 63 9.357 4.479 -0.467 1.00 0.00 O ATOM 989 CB ILE A 63 7.353 2.420 0.060 1.00 0.00 C ATOM 990 CG1 ILE A 63 6.105 1.608 0.566 1.00 0.00 C ATOM 991 CG2 ILE A 63 8.471 1.441 -0.424 1.00 0.00 C ATOM 992 CD1 ILE A 63 4.787 2.342 0.570 1.00 0.00 C ATOM 0 H ILE A 63 7.329 5.420 0.777 1.00 0.00 H new ATOM 0 HA ILE A 63 7.957 2.803 2.042 1.00 0.00 H new ATOM 0 HB ILE A 63 7.014 3.031 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.000 0.719 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.309 1.265 1.580 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.060 0.759 -1.168 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.288 2.011 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.846 0.869 0.425 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.003 1.680 0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.859 3.215 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.545 2.661 -0.444 1.00 0.00 H new ATOM 1004 N LEU A 64 10.246 4.069 1.541 1.00 0.00 N ATOM 1005 CA LEU A 64 11.492 4.802 1.294 1.00 0.00 C ATOM 1006 C LEU A 64 12.588 3.800 0.924 1.00 0.00 C ATOM 1007 O LEU A 64 12.455 2.622 1.248 1.00 0.00 O ATOM 1008 CB LEU A 64 11.895 5.614 2.565 1.00 0.00 C ATOM 1009 CG LEU A 64 10.922 6.748 3.049 1.00 0.00 C ATOM 1010 CD1 LEU A 64 10.543 7.697 1.901 1.00 0.00 C ATOM 1011 CD2 LEU A 64 9.673 6.183 3.769 1.00 0.00 C ATOM 0 H LEU A 64 10.218 3.598 2.445 1.00 0.00 H new ATOM 0 HA LEU A 64 11.354 5.505 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 64 12.022 4.909 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.869 6.066 2.379 1.00 0.00 H new ATOM 0 HG LEU A 64 11.465 7.336 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 64 9.869 8.468 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.444 8.164 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 64 10.047 7.133 1.111 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.032 7.006 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 64 9.123 5.534 3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.985 5.610 4.643 1.00 0.00 H new ATOM 1023 N PRO A 65 13.648 4.218 0.168 1.00 0.00 N ATOM 1024 CA PRO A 65 14.892 3.429 0.082 1.00 0.00 C ATOM 1025 C PRO A 65 15.504 3.185 1.489 1.00 0.00 C ATOM 1026 O PRO A 65 15.359 2.084 2.032 1.00 0.00 O ATOM 1027 CB PRO A 65 15.805 4.289 -0.832 1.00 0.00 C ATOM 1028 CG PRO A 65 14.846 5.097 -1.653 1.00 0.00 C ATOM 1029 CD PRO A 65 13.682 5.399 -0.732 1.00 0.00 C ATOM 0 HA PRO A 65 14.742 2.427 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 65 16.465 4.929 -0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 65 16.440 3.665 -1.461 1.00 0.00 H new ATOM 0 HG2 PRO A 65 15.312 6.015 -2.011 1.00 0.00 H new ATOM 0 HG3 PRO A 65 14.518 4.543 -2.532 1.00 0.00 H new ATOM 0 HD2 PRO A 65 13.837 6.324 -0.177 1.00 0.00 H new ATOM 0 HD3 PRO A 65 12.749 5.511 -1.285 1.00 0.00 H new ATOM 1037 N ASP A 66 16.108 4.244 2.084 1.00 0.00 N ATOM 1038 CA ASP A 66 16.770 4.205 3.418 1.00 0.00 C ATOM 1039 C ASP A 66 17.633 2.957 3.590 1.00 0.00 C ATOM 1040 O ASP A 66 17.255 2.006 4.282 1.00 0.00 O ATOM 1041 CB ASP A 66 15.747 4.382 4.583 1.00 0.00 C ATOM 1042 CG ASP A 66 15.445 5.860 4.880 1.00 0.00 C ATOM 1043 OD1 ASP A 66 16.218 6.494 5.633 1.00 0.00 O ATOM 1044 OD2 ASP A 66 14.468 6.404 4.347 1.00 0.00 O ATOM 0 H ASP A 66 16.151 5.164 1.646 1.00 0.00 H new ATOM 0 HA ASP A 66 17.445 5.060 3.464 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.820 3.869 4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.139 3.906 5.482 1.00 0.00 H new ATOM 1049 N GLY A 67 18.774 2.970 2.909 1.00 0.00 N ATOM 1050 CA GLY A 67 19.658 1.823 2.856 1.00 0.00 C ATOM 1051 C GLY A 67 20.821 2.076 1.919 1.00 0.00 C ATOM 1052 O GLY A 67 21.742 2.820 2.277 1.00 0.00 O ATOM 0 H GLY A 67 19.107 3.777 2.381 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.033 1.602 3.855 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.102 0.946 2.523 1.00 0.00 H new ATOM 1056 N GLU A 68 20.717 1.522 0.693 1.00 0.00 N ATOM 1057 CA GLU A 68 21.790 1.455 -0.333 1.00 0.00 C ATOM 1058 C GLU A 68 21.444 0.318 -1.323 1.00 0.00 C ATOM 1059 O GLU A 68 21.867 0.343 -2.480 1.00 0.00 O ATOM 1060 CB GLU A 68 23.233 1.242 0.240 1.00 0.00 C ATOM 1061 CG GLU A 68 23.440 -0.051 1.053 1.00 0.00 C ATOM 1062 CD GLU A 68 24.806 -0.119 1.743 1.00 0.00 C ATOM 1063 OE1 GLU A 68 24.948 0.417 2.869 1.00 0.00 O ATOM 1064 OE2 GLU A 68 25.749 -0.705 1.171 1.00 0.00 O ATOM 0 H GLU A 68 19.850 1.090 0.373 1.00 0.00 H new ATOM 0 HA GLU A 68 21.819 2.428 -0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 68 23.939 1.245 -0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 68 23.483 2.093 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 68 22.656 -0.128 1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 68 23.332 -0.910 0.391 1.00 0.00 H new ATOM 1071 N ASP A 69 20.650 -0.670 -0.838 1.00 0.00 N ATOM 1072 CA ASP A 69 20.202 -1.836 -1.641 1.00 0.00 C ATOM 1073 C ASP A 69 18.844 -2.397 -1.148 1.00 0.00 C ATOM 1074 O ASP A 69 18.297 -3.312 -1.768 1.00 0.00 O ATOM 1075 CB ASP A 69 21.291 -2.955 -1.650 1.00 0.00 C ATOM 1076 CG ASP A 69 21.456 -3.695 -0.305 1.00 0.00 C ATOM 1077 OD1 ASP A 69 22.068 -3.132 0.626 1.00 0.00 O ATOM 1078 OD2 ASP A 69 20.969 -4.841 -0.175 1.00 0.00 O ATOM 0 H ASP A 69 20.302 -0.681 0.121 1.00 0.00 H new ATOM 0 HA ASP A 69 20.055 -1.485 -2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 69 21.041 -3.682 -2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 69 22.248 -2.512 -1.927 1.00 0.00 H new ATOM 1083 N PHE A 70 18.283 -1.830 -0.062 1.00 0.00 N ATOM 1084 CA PHE A 70 16.988 -2.267 0.521 1.00 0.00 C ATOM 1085 C PHE A 70 15.986 -1.094 0.487 1.00 0.00 C ATOM 1086 O PHE A 70 16.389 0.066 0.356 1.00 0.00 O ATOM 1087 CB PHE A 70 17.158 -2.771 1.989 1.00 0.00 C ATOM 1088 CG PHE A 70 17.998 -4.044 2.157 1.00 0.00 C ATOM 1089 CD1 PHE A 70 17.585 -5.249 1.593 1.00 0.00 C ATOM 1090 CD2 PHE A 70 19.177 -4.046 2.903 1.00 0.00 C ATOM 1091 CE1 PHE A 70 18.325 -6.406 1.764 1.00 0.00 C ATOM 1092 CE2 PHE A 70 19.919 -5.202 3.072 1.00 0.00 C ATOM 1093 CZ PHE A 70 19.491 -6.382 2.502 1.00 0.00 C ATOM 0 H PHE A 70 18.712 -1.053 0.441 1.00 0.00 H new ATOM 0 HA PHE A 70 16.612 -3.098 -0.076 1.00 0.00 H new ATOM 0 HB2 PHE A 70 17.615 -1.975 2.577 1.00 0.00 H new ATOM 0 HB3 PHE A 70 16.169 -2.951 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 70 16.674 -5.281 1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 70 19.517 -3.127 3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 70 17.989 -7.331 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 70 20.832 -5.180 3.649 1.00 0.00 H new ATOM 0 HZ PHE A 70 20.067 -7.286 2.633 1.00 0.00 H new ATOM 1103 N LEU A 71 14.686 -1.416 0.598 1.00 0.00 N ATOM 1104 CA LEU A 71 13.602 -0.416 0.725 1.00 0.00 C ATOM 1105 C LEU A 71 12.931 -0.561 2.107 1.00 0.00 C ATOM 1106 O LEU A 71 12.427 -1.631 2.458 1.00 0.00 O ATOM 1107 CB LEU A 71 12.538 -0.509 -0.423 1.00 0.00 C ATOM 1108 CG LEU A 71 11.742 -1.861 -0.582 1.00 0.00 C ATOM 1109 CD1 LEU A 71 10.409 -1.650 -1.326 1.00 0.00 C ATOM 1110 CD2 LEU A 71 12.583 -2.939 -1.293 1.00 0.00 C ATOM 0 H LEU A 71 14.352 -2.380 0.603 1.00 0.00 H new ATOM 0 HA LEU A 71 14.056 0.571 0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.813 0.291 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.045 -0.306 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 71 11.520 -2.213 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.888 -2.603 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.788 -0.949 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.607 -1.248 -2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 71 11.999 -3.855 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 71 12.861 -2.587 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 71 13.484 -3.139 -0.713 1.00 0.00 H new ATOM 1122 N ALA A 72 12.947 0.524 2.896 1.00 0.00 N ATOM 1123 CA ALA A 72 12.347 0.563 4.230 1.00 0.00 C ATOM 1124 C ALA A 72 10.952 1.201 4.179 1.00 0.00 C ATOM 1125 O ALA A 72 10.802 2.379 3.853 1.00 0.00 O ATOM 1126 CB ALA A 72 13.261 1.319 5.202 1.00 0.00 C ATOM 0 H ALA A 72 13.382 1.404 2.620 1.00 0.00 H new ATOM 0 HA ALA A 72 12.234 -0.459 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 72 12.802 1.340 6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.226 0.815 5.260 1.00 0.00 H new ATOM 0 HB3 ALA A 72 13.405 2.339 4.847 1.00 0.00 H new ATOM 1132 N VAL A 73 9.945 0.405 4.551 1.00 0.00 N ATOM 1133 CA VAL A 73 8.531 0.818 4.522 1.00 0.00 C ATOM 1134 C VAL A 73 8.160 1.396 5.884 1.00 0.00 C ATOM 1135 O VAL A 73 8.641 0.905 6.907 1.00 0.00 O ATOM 1136 CB VAL A 73 7.564 -0.376 4.186 1.00 0.00 C ATOM 1137 CG1 VAL A 73 6.094 0.104 3.994 1.00 0.00 C ATOM 1138 CG2 VAL A 73 8.062 -1.158 2.959 1.00 0.00 C ATOM 0 H VAL A 73 10.084 -0.549 4.883 1.00 0.00 H new ATOM 0 HA VAL A 73 8.416 1.563 3.734 1.00 0.00 H new ATOM 0 HB VAL A 73 7.570 -1.052 5.041 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.459 -0.751 3.763 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.744 0.579 4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.049 0.820 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.376 -1.978 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.108 -0.492 2.097 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.055 -1.559 3.161 1.00 0.00 H new ATOM 1148 N GLN A 74 7.288 2.409 5.899 1.00 0.00 N ATOM 1149 CA GLN A 74 6.832 3.032 7.143 1.00 0.00 C ATOM 1150 C GLN A 74 5.446 2.480 7.467 1.00 0.00 C ATOM 1151 O GLN A 74 4.424 2.989 6.994 1.00 0.00 O ATOM 1152 CB GLN A 74 6.850 4.580 7.045 1.00 0.00 C ATOM 1153 CG GLN A 74 8.266 5.184 6.977 1.00 0.00 C ATOM 1154 CD GLN A 74 9.193 4.782 8.152 1.00 0.00 C ATOM 1155 OE1 GLN A 74 10.400 4.671 7.978 1.00 0.00 O ATOM 1156 NE2 GLN A 74 8.652 4.604 9.358 1.00 0.00 N ATOM 0 H GLN A 74 6.882 2.816 5.057 1.00 0.00 H new ATOM 0 HA GLN A 74 7.513 2.787 7.958 1.00 0.00 H new ATOM 0 HB2 GLN A 74 6.292 4.885 6.159 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.329 4.995 7.908 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.733 4.878 6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.183 6.271 6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.644 4.701 9.484 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.246 4.371 10.154 1.00 0.00 H new ATOM 1165 N THR A 75 5.446 1.374 8.228 1.00 0.00 N ATOM 1166 CA THR A 75 4.228 0.702 8.691 1.00 0.00 C ATOM 1167 C THR A 75 3.565 1.536 9.817 1.00 0.00 C ATOM 1168 O THR A 75 4.132 2.549 10.269 1.00 0.00 O ATOM 1169 CB THR A 75 4.571 -0.758 9.194 1.00 0.00 C ATOM 1170 OG1 THR A 75 5.756 -1.246 8.534 1.00 0.00 O ATOM 1171 CG2 THR A 75 3.411 -1.746 8.935 1.00 0.00 C ATOM 0 H THR A 75 6.303 0.918 8.541 1.00 0.00 H new ATOM 0 HA THR A 75 3.524 0.619 7.863 1.00 0.00 H new ATOM 0 HB THR A 75 4.737 -0.696 10.270 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.520 -1.582 7.644 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.689 -2.736 9.296 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.519 -1.406 9.461 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.206 -1.794 7.866 1.00 0.00 H new ATOM 1179 N SER A 76 2.364 1.126 10.251 1.00 0.00 N ATOM 1180 CA SER A 76 1.640 1.801 11.341 1.00 0.00 C ATOM 1181 C SER A 76 2.427 1.641 12.661 1.00 0.00 C ATOM 1182 O SER A 76 2.503 0.533 13.201 1.00 0.00 O ATOM 1183 CB SER A 76 0.216 1.221 11.468 1.00 0.00 C ATOM 1184 OG SER A 76 -0.560 1.933 12.416 1.00 0.00 O ATOM 0 H SER A 76 1.870 0.324 9.861 1.00 0.00 H new ATOM 0 HA SER A 76 1.551 2.864 11.118 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.277 1.253 10.497 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.275 0.173 11.761 1.00 0.00 H new ATOM 0 HG SER A 76 -1.456 1.539 12.468 1.00 0.00 H new ATOM 1190 N GLN A 77 3.038 2.755 13.135 1.00 0.00 N ATOM 1191 CA GLN A 77 3.864 2.791 14.363 1.00 0.00 C ATOM 1192 C GLN A 77 3.046 2.289 15.574 1.00 0.00 C ATOM 1193 O GLN A 77 2.181 3.002 16.096 1.00 0.00 O ATOM 1194 CB GLN A 77 4.401 4.233 14.593 1.00 0.00 C ATOM 1195 CG GLN A 77 5.324 4.760 13.467 1.00 0.00 C ATOM 1196 CD GLN A 77 6.637 3.977 13.315 1.00 0.00 C ATOM 1197 OE1 GLN A 77 7.178 3.441 14.281 1.00 0.00 O ATOM 1198 NE2 GLN A 77 7.161 3.906 12.101 1.00 0.00 N ATOM 0 H GLN A 77 2.969 3.660 12.670 1.00 0.00 H new ATOM 0 HA GLN A 77 4.719 2.125 14.245 1.00 0.00 H new ATOM 0 HB2 GLN A 77 3.554 4.911 14.698 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.948 4.258 15.536 1.00 0.00 H new ATOM 0 HG2 GLN A 77 4.782 4.727 12.522 1.00 0.00 H new ATOM 0 HG3 GLN A 77 5.558 5.806 13.663 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.693 4.359 11.316 1.00 0.00 H new ATOM 0 HE22 GLN A 77 8.033 3.398 11.951 1.00 0.00 H new ATOM 1207 N GLY A 78 3.299 1.032 15.956 1.00 0.00 N ATOM 1208 CA GLY A 78 2.444 0.263 16.860 1.00 0.00 C ATOM 1209 C GLY A 78 2.687 -1.231 16.642 1.00 0.00 C ATOM 1210 O GLY A 78 2.432 -2.060 17.519 1.00 0.00 O ATOM 0 H GLY A 78 4.118 0.514 15.639 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.657 0.530 17.895 1.00 0.00 H new ATOM 0 HA3 GLY A 78 1.396 0.502 16.679 1.00 0.00 H new ATOM 1214 N VAL A 79 3.166 -1.553 15.421 1.00 0.00 N ATOM 1215 CA VAL A 79 3.705 -2.873 15.036 1.00 0.00 C ATOM 1216 C VAL A 79 5.198 -2.676 14.639 1.00 0.00 C ATOM 1217 O VAL A 79 5.601 -1.535 14.381 1.00 0.00 O ATOM 1218 CB VAL A 79 2.886 -3.503 13.832 1.00 0.00 C ATOM 1219 CG1 VAL A 79 1.416 -3.763 14.227 1.00 0.00 C ATOM 1220 CG2 VAL A 79 2.967 -2.623 12.554 1.00 0.00 C ATOM 0 H VAL A 79 3.188 -0.881 14.654 1.00 0.00 H new ATOM 0 HA VAL A 79 3.619 -3.566 15.873 1.00 0.00 H new ATOM 0 HB VAL A 79 3.349 -4.462 13.600 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.883 -4.195 13.380 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.382 -4.455 15.068 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.944 -2.823 14.512 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.393 -3.090 11.754 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.557 -1.635 12.766 1.00 0.00 H new ATOM 0 HG23 VAL A 79 4.008 -2.525 12.245 1.00 0.00 H new ATOM 1230 N PRO A 80 6.055 -3.747 14.585 1.00 0.00 N ATOM 1231 CA PRO A 80 7.476 -3.610 14.141 1.00 0.00 C ATOM 1232 C PRO A 80 7.589 -3.140 12.662 1.00 0.00 C ATOM 1233 O PRO A 80 6.891 -3.669 11.785 1.00 0.00 O ATOM 1234 CB PRO A 80 8.045 -5.037 14.344 1.00 0.00 C ATOM 1235 CG PRO A 80 6.846 -5.937 14.291 1.00 0.00 C ATOM 1236 CD PRO A 80 5.737 -5.156 14.955 1.00 0.00 C ATOM 0 HA PRO A 80 8.022 -2.850 14.700 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.765 -5.290 13.566 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.564 -5.124 15.299 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.589 -6.190 13.263 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.034 -6.875 14.813 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.755 -5.458 14.590 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.733 -5.299 16.036 1.00 0.00 H new ATOM 1244 N VAL A 81 8.446 -2.119 12.407 1.00 0.00 N ATOM 1245 CA VAL A 81 8.708 -1.591 11.051 1.00 0.00 C ATOM 1246 C VAL A 81 9.530 -2.605 10.251 1.00 0.00 C ATOM 1247 O VAL A 81 10.621 -3.000 10.684 1.00 0.00 O ATOM 1248 CB VAL A 81 9.493 -0.216 11.111 1.00 0.00 C ATOM 1249 CG1 VAL A 81 9.848 0.318 9.696 1.00 0.00 C ATOM 1250 CG2 VAL A 81 8.696 0.836 11.914 1.00 0.00 C ATOM 0 H VAL A 81 8.973 -1.641 13.138 1.00 0.00 H new ATOM 0 HA VAL A 81 7.747 -1.421 10.565 1.00 0.00 H new ATOM 0 HB VAL A 81 10.434 -0.405 11.627 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.385 1.262 9.788 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.476 -0.408 9.180 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.932 0.475 9.126 1.00 0.00 H new ATOM 0 HG21 VAL A 81 9.254 1.772 11.942 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.731 1.003 11.436 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.540 0.476 12.931 1.00 0.00 H new ATOM 1260 N ARG A 82 9.008 -3.022 9.091 1.00 0.00 N ATOM 1261 CA ARG A 82 9.649 -4.059 8.269 1.00 0.00 C ATOM 1262 C ARG A 82 10.182 -3.464 6.951 1.00 0.00 C ATOM 1263 O ARG A 82 9.425 -2.862 6.178 1.00 0.00 O ATOM 1264 CB ARG A 82 8.652 -5.222 7.990 1.00 0.00 C ATOM 1265 CG ARG A 82 9.329 -6.567 7.611 1.00 0.00 C ATOM 1266 CD ARG A 82 9.970 -7.274 8.821 1.00 0.00 C ATOM 1267 NE ARG A 82 10.707 -8.492 8.433 1.00 0.00 N ATOM 1268 CZ ARG A 82 11.019 -9.515 9.248 1.00 0.00 C ATOM 1269 NH1 ARG A 82 10.567 -9.572 10.493 1.00 0.00 N ATOM 1270 NH2 ARG A 82 11.766 -10.498 8.786 1.00 0.00 N ATOM 0 H ARG A 82 8.140 -2.656 8.698 1.00 0.00 H new ATOM 0 HA ARG A 82 10.499 -4.460 8.822 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.035 -5.376 8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.983 -4.925 7.182 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.588 -7.227 7.161 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.093 -6.384 6.856 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.650 -6.585 9.323 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.193 -7.536 9.539 1.00 0.00 H new ATOM 0 HE ARG A 82 11.006 -8.564 7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.968 -8.829 10.853 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.818 -10.359 11.091 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.099 -10.476 7.822 1.00 0.00 H new ATOM 0 HH22 ARG A 82 12.011 -11.281 9.392 1.00 0.00 H new ATOM 1284 N ARG A 83 11.501 -3.615 6.731 1.00 0.00 N ATOM 1285 CA ARG A 83 12.164 -3.296 5.454 1.00 0.00 C ATOM 1286 C ARG A 83 12.309 -4.582 4.625 1.00 0.00 C ATOM 1287 O ARG A 83 12.296 -5.687 5.181 1.00 0.00 O ATOM 1288 CB ARG A 83 13.534 -2.566 5.700 1.00 0.00 C ATOM 1289 CG ARG A 83 14.462 -3.117 6.833 1.00 0.00 C ATOM 1290 CD ARG A 83 15.573 -4.080 6.349 1.00 0.00 C ATOM 1291 NE ARG A 83 15.046 -5.360 5.839 1.00 0.00 N ATOM 1292 CZ ARG A 83 15.700 -6.205 5.044 1.00 0.00 C ATOM 1293 NH1 ARG A 83 16.998 -6.065 4.825 1.00 0.00 N ATOM 1294 NH2 ARG A 83 15.055 -7.228 4.513 1.00 0.00 N ATOM 0 H ARG A 83 12.143 -3.965 7.442 1.00 0.00 H new ATOM 0 HA ARG A 83 11.553 -2.599 4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 83 14.097 -2.587 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 83 13.321 -1.520 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 83 14.928 -2.274 7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 83 13.846 -3.635 7.568 1.00 0.00 H new ATOM 0 HD2 ARG A 83 16.151 -3.593 5.564 1.00 0.00 H new ATOM 0 HD3 ARG A 83 16.258 -4.278 7.173 1.00 0.00 H new ATOM 0 HE ARG A 83 14.100 -5.620 6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 83 17.511 -5.302 5.268 1.00 0.00 H new ATOM 0 HH12 ARG A 83 17.486 -6.720 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 83 14.064 -7.366 4.713 1.00 0.00 H new ATOM 0 HH22 ARG A 83 15.548 -7.880 3.903 1.00 0.00 H new ATOM 1308 N PHE A 84 12.413 -4.439 3.295 1.00 0.00 N ATOM 1309 CA PHE A 84 12.465 -5.576 2.351 1.00 0.00 C ATOM 1310 C PHE A 84 13.590 -5.366 1.320 1.00 0.00 C ATOM 1311 O PHE A 84 14.148 -4.272 1.222 1.00 0.00 O ATOM 1312 CB PHE A 84 11.092 -5.713 1.631 1.00 0.00 C ATOM 1313 CG PHE A 84 9.896 -5.791 2.584 1.00 0.00 C ATOM 1314 CD1 PHE A 84 9.592 -6.975 3.252 1.00 0.00 C ATOM 1315 CD2 PHE A 84 9.086 -4.681 2.830 1.00 0.00 C ATOM 1316 CE1 PHE A 84 8.523 -7.053 4.123 1.00 0.00 C ATOM 1317 CE2 PHE A 84 8.015 -4.762 3.704 1.00 0.00 C ATOM 1318 CZ PHE A 84 7.735 -5.948 4.347 1.00 0.00 C ATOM 0 H PHE A 84 12.464 -3.529 2.838 1.00 0.00 H new ATOM 0 HA PHE A 84 12.675 -6.492 2.904 1.00 0.00 H new ATOM 0 HB2 PHE A 84 10.957 -4.862 0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 84 11.107 -6.608 1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 84 10.204 -7.849 3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.298 -3.746 2.332 1.00 0.00 H new ATOM 0 HE1 PHE A 84 8.306 -7.982 4.629 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.398 -3.894 3.882 1.00 0.00 H new ATOM 0 HZ PHE A 84 6.898 -6.010 5.026 1.00 0.00 H new ATOM 1328 N GLN A 85 13.952 -6.438 0.592 1.00 0.00 N ATOM 1329 CA GLN A 85 14.838 -6.347 -0.594 1.00 0.00 C ATOM 1330 C GLN A 85 14.021 -6.112 -1.878 1.00 0.00 C ATOM 1331 O GLN A 85 14.541 -5.561 -2.859 1.00 0.00 O ATOM 1332 CB GLN A 85 15.720 -7.620 -0.738 1.00 0.00 C ATOM 1333 CG GLN A 85 14.988 -8.891 -1.208 1.00 0.00 C ATOM 1334 CD GLN A 85 15.878 -10.134 -1.213 1.00 0.00 C ATOM 1335 OE1 GLN A 85 16.552 -10.425 -2.204 1.00 0.00 O ATOM 1336 NE2 GLN A 85 15.880 -10.880 -0.117 1.00 0.00 N ATOM 0 H GLN A 85 13.644 -7.387 0.803 1.00 0.00 H new ATOM 0 HA GLN A 85 15.497 -5.492 -0.445 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.524 -7.405 -1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.187 -7.827 0.225 1.00 0.00 H new ATOM 0 HG2 GLN A 85 14.131 -9.069 -0.559 1.00 0.00 H new ATOM 0 HG3 GLN A 85 14.599 -8.727 -2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 85 15.310 -10.610 0.685 1.00 0.00 H new ATOM 0 HE22 GLN A 85 16.451 -11.724 -0.076 1.00 0.00 H new ATOM 1345 N THR A 86 12.732 -6.511 -1.860 1.00 0.00 N ATOM 1346 CA THR A 86 11.857 -6.431 -3.040 1.00 0.00 C ATOM 1347 C THR A 86 10.390 -6.169 -2.631 1.00 0.00 C ATOM 1348 O THR A 86 9.983 -6.483 -1.500 1.00 0.00 O ATOM 1349 CB THR A 86 11.969 -7.752 -3.879 1.00 0.00 C ATOM 1350 OG1 THR A 86 11.307 -7.601 -5.138 1.00 0.00 O ATOM 1351 CG2 THR A 86 11.393 -8.982 -3.141 1.00 0.00 C ATOM 0 H THR A 86 12.275 -6.894 -1.033 1.00 0.00 H new ATOM 0 HA THR A 86 12.184 -5.592 -3.654 1.00 0.00 H new ATOM 0 HB THR A 86 13.033 -7.930 -4.034 1.00 0.00 H new ATOM 0 HG1 THR A 86 11.387 -8.432 -5.651 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.498 -9.866 -3.770 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.936 -9.134 -2.208 1.00 0.00 H new ATOM 0 HG23 THR A 86 10.338 -8.815 -2.924 1.00 0.00 H new ATOM 1359 N LEU A 87 9.604 -5.577 -3.562 1.00 0.00 N ATOM 1360 CA LEU A 87 8.152 -5.326 -3.380 1.00 0.00 C ATOM 1361 C LEU A 87 7.358 -6.635 -3.152 1.00 0.00 C ATOM 1362 O LEU A 87 6.328 -6.619 -2.479 1.00 0.00 O ATOM 1363 CB LEU A 87 7.570 -4.576 -4.617 1.00 0.00 C ATOM 1364 CG LEU A 87 8.088 -3.114 -4.852 1.00 0.00 C ATOM 1365 CD1 LEU A 87 7.664 -2.563 -6.242 1.00 0.00 C ATOM 1366 CD2 LEU A 87 7.619 -2.178 -3.713 1.00 0.00 C ATOM 0 H LEU A 87 9.959 -5.259 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 87 8.046 -4.707 -2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.790 -5.164 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.485 -4.542 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 87 9.177 -3.147 -4.842 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.044 -1.548 -6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.074 -3.199 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.576 -2.554 -6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.989 -1.169 -3.895 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.530 -2.164 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.007 -2.540 -2.761 1.00 0.00 H new ATOM 1378 N GLY A 88 7.833 -7.751 -3.750 1.00 0.00 N ATOM 1379 CA GLY A 88 7.232 -9.086 -3.559 1.00 0.00 C ATOM 1380 C GLY A 88 6.986 -9.457 -2.087 1.00 0.00 C ATOM 1381 O GLY A 88 5.878 -9.886 -1.707 1.00 0.00 O ATOM 0 H GLY A 88 8.639 -7.750 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.285 -9.127 -4.096 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.885 -9.835 -4.007 1.00 0.00 H new ATOM 1385 N GLU A 89 8.019 -9.231 -1.250 1.00 0.00 N ATOM 1386 CA GLU A 89 7.958 -9.487 0.205 1.00 0.00 C ATOM 1387 C GLU A 89 7.022 -8.481 0.914 1.00 0.00 C ATOM 1388 O GLU A 89 6.393 -8.815 1.929 1.00 0.00 O ATOM 1389 CB GLU A 89 9.368 -9.384 0.826 1.00 0.00 C ATOM 1390 CG GLU A 89 10.427 -10.325 0.231 1.00 0.00 C ATOM 1391 CD GLU A 89 11.827 -10.037 0.795 1.00 0.00 C ATOM 1392 OE1 GLU A 89 12.277 -8.877 0.695 1.00 0.00 O ATOM 1393 OE2 GLU A 89 12.469 -10.942 1.367 1.00 0.00 O ATOM 0 H GLU A 89 8.919 -8.866 -1.563 1.00 0.00 H new ATOM 0 HA GLU A 89 7.563 -10.493 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 89 9.719 -8.358 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 89 9.290 -9.584 1.895 1.00 0.00 H new ATOM 0 HG2 GLU A 89 10.155 -11.359 0.443 1.00 0.00 H new ATOM 0 HG3 GLU A 89 10.442 -10.216 -0.853 1.00 0.00 H new ATOM 1400 N LEU A 90 6.932 -7.253 0.355 1.00 0.00 N ATOM 1401 CA LEU A 90 6.100 -6.158 0.906 1.00 0.00 C ATOM 1402 C LEU A 90 4.619 -6.539 0.779 1.00 0.00 C ATOM 1403 O LEU A 90 3.824 -6.303 1.691 1.00 0.00 O ATOM 1404 CB LEU A 90 6.429 -4.830 0.128 1.00 0.00 C ATOM 1405 CG LEU A 90 5.939 -3.440 0.704 1.00 0.00 C ATOM 1406 CD1 LEU A 90 6.643 -2.268 -0.033 1.00 0.00 C ATOM 1407 CD2 LEU A 90 4.403 -3.242 0.643 1.00 0.00 C ATOM 0 H LEU A 90 7.435 -6.992 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 90 6.316 -5.998 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.512 -4.775 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.016 -4.930 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 90 6.213 -3.445 1.759 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.294 -1.320 0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.721 -2.348 0.104 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.408 -2.313 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.145 -2.267 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.070 -3.297 -0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.912 -4.023 1.224 1.00 0.00 H new ATOM 1419 N ILE A 91 4.279 -7.218 -0.332 1.00 0.00 N ATOM 1420 CA ILE A 91 2.883 -7.463 -0.704 1.00 0.00 C ATOM 1421 C ILE A 91 2.346 -8.661 0.098 1.00 0.00 C ATOM 1422 O ILE A 91 1.215 -8.628 0.596 1.00 0.00 O ATOM 1423 CB ILE A 91 2.719 -7.703 -2.254 1.00 0.00 C ATOM 1424 CG1 ILE A 91 3.240 -6.470 -3.073 1.00 0.00 C ATOM 1425 CG2 ILE A 91 1.247 -8.028 -2.624 1.00 0.00 C ATOM 1426 CD1 ILE A 91 2.598 -5.132 -2.730 1.00 0.00 C ATOM 0 H ILE A 91 4.958 -7.606 -0.986 1.00 0.00 H new ATOM 0 HA ILE A 91 2.301 -6.574 -0.462 1.00 0.00 H new ATOM 0 HB ILE A 91 3.327 -8.568 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.316 -6.385 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.081 -6.668 -4.133 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.169 -8.188 -3.699 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.930 -8.929 -2.099 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.606 -7.195 -2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.031 -4.350 -3.354 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.524 -5.187 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.779 -4.900 -1.680 1.00 0.00 H new ATOM 1438 N GLY A 92 3.201 -9.692 0.256 1.00 0.00 N ATOM 1439 CA GLY A 92 2.838 -10.910 0.982 1.00 0.00 C ATOM 1440 C GLY A 92 2.714 -10.705 2.490 1.00 0.00 C ATOM 1441 O GLY A 92 1.816 -11.271 3.123 1.00 0.00 O ATOM 0 H GLY A 92 4.151 -9.697 -0.115 1.00 0.00 H new ATOM 0 HA2 GLY A 92 1.891 -11.286 0.595 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.588 -11.677 0.788 1.00 0.00 H new ATOM 1445 N LEU A 93 3.620 -9.888 3.065 1.00 0.00 N ATOM 1446 CA LEU A 93 3.635 -9.614 4.513 1.00 0.00 C ATOM 1447 C LEU A 93 2.470 -8.688 4.889 1.00 0.00 C ATOM 1448 O LEU A 93 1.880 -8.830 5.960 1.00 0.00 O ATOM 1449 CB LEU A 93 5.012 -9.023 4.954 1.00 0.00 C ATOM 1450 CG LEU A 93 5.302 -8.980 6.511 1.00 0.00 C ATOM 1451 CD1 LEU A 93 6.808 -9.098 6.801 1.00 0.00 C ATOM 1452 CD2 LEU A 93 4.728 -7.710 7.203 1.00 0.00 C ATOM 0 H LEU A 93 4.353 -9.406 2.544 1.00 0.00 H new ATOM 0 HA LEU A 93 3.502 -10.553 5.050 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.801 -9.605 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.086 -8.007 4.566 1.00 0.00 H new ATOM 0 HG LEU A 93 4.785 -9.842 6.934 1.00 0.00 H new ATOM 0 HD11 LEU A 93 6.975 -9.065 7.878 1.00 0.00 H new ATOM 0 HD12 LEU A 93 7.182 -10.042 6.404 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.336 -8.271 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.960 -7.740 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.175 -6.820 6.759 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.647 -7.679 7.068 1.00 0.00 H new ATOM 1464 N TYR A 94 2.137 -7.734 4.003 1.00 0.00 N ATOM 1465 CA TYR A 94 1.023 -6.785 4.225 1.00 0.00 C ATOM 1466 C TYR A 94 -0.316 -7.410 3.792 1.00 0.00 C ATOM 1467 O TYR A 94 -1.382 -6.848 4.056 1.00 0.00 O ATOM 1468 CB TYR A 94 1.314 -5.442 3.488 1.00 0.00 C ATOM 1469 CG TYR A 94 2.435 -4.585 4.121 1.00 0.00 C ATOM 1470 CD1 TYR A 94 3.595 -5.167 4.643 1.00 0.00 C ATOM 1471 CD2 TYR A 94 2.321 -3.197 4.211 1.00 0.00 C ATOM 1472 CE1 TYR A 94 4.579 -4.408 5.228 1.00 0.00 C ATOM 1473 CE2 TYR A 94 3.308 -2.437 4.796 1.00 0.00 C ATOM 1474 CZ TYR A 94 4.438 -3.052 5.307 1.00 0.00 C ATOM 1475 OH TYR A 94 5.430 -2.305 5.891 1.00 0.00 O ATOM 0 H TYR A 94 2.626 -7.596 3.118 1.00 0.00 H new ATOM 0 HA TYR A 94 0.941 -6.566 5.290 1.00 0.00 H new ATOM 0 HB2 TYR A 94 1.583 -5.662 2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.397 -4.853 3.460 1.00 0.00 H new ATOM 0 HD1 TYR A 94 3.720 -6.238 4.585 1.00 0.00 H new ATOM 0 HD2 TYR A 94 1.442 -2.710 3.814 1.00 0.00 H new ATOM 0 HE1 TYR A 94 5.464 -4.883 5.625 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.201 -1.364 4.856 1.00 0.00 H new ATOM 0 HH TYR A 94 6.294 -2.748 5.759 1.00 0.00 H new ATOM 1485 N ALA A 95 -0.247 -8.584 3.122 1.00 0.00 N ATOM 1486 CA ALA A 95 -1.414 -9.462 2.898 1.00 0.00 C ATOM 1487 C ALA A 95 -1.799 -10.229 4.192 1.00 0.00 C ATOM 1488 O ALA A 95 -2.752 -11.018 4.198 1.00 0.00 O ATOM 1489 CB ALA A 95 -1.134 -10.441 1.748 1.00 0.00 C ATOM 0 H ALA A 95 0.619 -8.947 2.723 1.00 0.00 H new ATOM 0 HA ALA A 95 -2.261 -8.834 2.622 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.003 -11.081 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.931 -9.881 0.835 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -0.269 -11.056 1.996 1.00 0.00 H new ATOM 1495 N GLN A 96 -1.050 -9.984 5.281 1.00 0.00 N ATOM 1496 CA GLN A 96 -1.395 -10.448 6.631 1.00 0.00 C ATOM 1497 C GLN A 96 -2.200 -9.336 7.339 1.00 0.00 C ATOM 1498 O GLN A 96 -1.752 -8.182 7.356 1.00 0.00 O ATOM 1499 CB GLN A 96 -0.106 -10.782 7.431 1.00 0.00 C ATOM 1500 CG GLN A 96 0.737 -11.941 6.852 1.00 0.00 C ATOM 1501 CD GLN A 96 0.163 -13.344 7.110 1.00 0.00 C ATOM 1502 OE1 GLN A 96 -1.048 -13.542 7.231 1.00 0.00 O ATOM 1503 NE2 GLN A 96 1.034 -14.338 7.196 1.00 0.00 N ATOM 0 H GLN A 96 -0.180 -9.453 5.246 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.996 -11.355 6.571 1.00 0.00 H new ATOM 0 HB2 GLN A 96 0.516 -9.888 7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.385 -11.031 8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.838 -11.797 5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.740 -11.890 7.276 1.00 0.00 H new ATOM 0 HE21 GLN A 96 2.032 -14.152 7.093 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.707 -15.289 7.365 1.00 0.00 H new ATOM 1512 N PRO A 97 -3.424 -9.639 7.871 1.00 0.00 N ATOM 1513 CA PRO A 97 -4.183 -8.695 8.732 1.00 0.00 C ATOM 1514 C PRO A 97 -3.486 -8.419 10.093 1.00 0.00 C ATOM 1515 O PRO A 97 -2.498 -9.080 10.440 1.00 0.00 O ATOM 1516 CB PRO A 97 -5.549 -9.406 8.936 1.00 0.00 C ATOM 1517 CG PRO A 97 -5.625 -10.422 7.837 1.00 0.00 C ATOM 1518 CD PRO A 97 -4.203 -10.879 7.618 1.00 0.00 C ATOM 0 HA PRO A 97 -4.269 -7.711 8.272 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -5.605 -9.880 9.916 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -6.375 -8.698 8.877 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -6.268 -11.257 8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.043 -9.988 6.929 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -3.924 -11.680 8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -4.049 -11.256 6.607 1.00 0.00 H new ATOM 1526 N ASN A 98 -4.047 -7.452 10.854 1.00 0.00 N ATOM 1527 CA ASN A 98 -3.529 -7.009 12.178 1.00 0.00 C ATOM 1528 C ASN A 98 -2.037 -6.566 12.090 1.00 0.00 C ATOM 1529 O ASN A 98 -1.228 -6.826 12.987 1.00 0.00 O ATOM 1530 CB ASN A 98 -3.766 -8.133 13.241 1.00 0.00 C ATOM 1531 CG ASN A 98 -3.677 -7.651 14.700 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -4.681 -7.254 15.290 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -2.493 -7.699 15.292 1.00 0.00 N ATOM 0 H ASN A 98 -4.885 -6.947 10.565 1.00 0.00 H new ATOM 0 HA ASN A 98 -4.082 -6.126 12.499 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -4.749 -8.573 13.075 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -3.033 -8.924 13.086 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -2.396 -7.402 16.263 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.678 -8.033 14.777 1.00 0.00 H new ATOM 1540 N GLN A 99 -1.703 -5.872 10.990 1.00 0.00 N ATOM 1541 CA GLN A 99 -0.331 -5.351 10.733 1.00 0.00 C ATOM 1542 C GLN A 99 -0.330 -3.829 10.541 1.00 0.00 C ATOM 1543 O GLN A 99 0.683 -3.253 10.135 1.00 0.00 O ATOM 1544 CB GLN A 99 0.300 -6.055 9.494 1.00 0.00 C ATOM 1545 CG GLN A 99 0.535 -7.572 9.659 1.00 0.00 C ATOM 1546 CD GLN A 99 1.403 -7.945 10.870 1.00 0.00 C ATOM 1547 OE1 GLN A 99 2.276 -7.185 11.295 1.00 0.00 O ATOM 1548 NE2 GLN A 99 1.176 -9.122 11.431 1.00 0.00 N ATOM 0 H GLN A 99 -2.368 -5.651 10.249 1.00 0.00 H new ATOM 0 HA GLN A 99 0.274 -5.575 11.611 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -0.349 -5.894 8.633 1.00 0.00 H new ATOM 0 HB3 GLN A 99 1.253 -5.577 9.269 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -0.430 -8.070 9.750 1.00 0.00 H new ATOM 0 HG3 GLN A 99 1.008 -7.956 8.755 1.00 0.00 H new ATOM 0 HE21 GLN A 99 0.448 -9.732 11.060 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.729 -9.419 12.235 1.00 0.00 H new ATOM 1557 N GLY A 100 -1.469 -3.179 10.831 1.00 0.00 N ATOM 1558 CA GLY A 100 -1.637 -1.742 10.581 1.00 0.00 C ATOM 1559 C GLY A 100 -2.403 -1.494 9.295 1.00 0.00 C ATOM 1560 O GLY A 100 -2.844 -0.378 9.021 1.00 0.00 O ATOM 0 H GLY A 100 -2.288 -3.629 11.240 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.167 -1.284 11.417 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.659 -1.264 10.523 1.00 0.00 H new ATOM 1564 N LEU A 101 -2.516 -2.565 8.502 1.00 0.00 N ATOM 1565 CA LEU A 101 -3.259 -2.607 7.244 1.00 0.00 C ATOM 1566 C LEU A 101 -4.764 -2.593 7.505 1.00 0.00 C ATOM 1567 O LEU A 101 -5.227 -3.029 8.568 1.00 0.00 O ATOM 1568 CB LEU A 101 -2.814 -3.871 6.432 1.00 0.00 C ATOM 1569 CG LEU A 101 -1.478 -3.727 5.618 1.00 0.00 C ATOM 1570 CD1 LEU A 101 -1.666 -2.741 4.453 1.00 0.00 C ATOM 1571 CD2 LEU A 101 -0.284 -3.327 6.525 1.00 0.00 C ATOM 0 H LEU A 101 -2.076 -3.457 8.729 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.036 -1.720 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -2.707 -4.705 7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.613 -4.134 5.739 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.232 -4.703 5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.732 -2.651 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.449 -3.107 3.789 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.950 -1.764 4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.619 -3.239 5.920 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.495 -2.371 7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.136 -4.090 7.289 1.00 0.00 H new ATOM 1583 N VAL A 102 -5.520 -2.035 6.550 1.00 0.00 N ATOM 1584 CA VAL A 102 -6.985 -2.083 6.579 1.00 0.00 C ATOM 1585 C VAL A 102 -7.472 -3.418 5.965 1.00 0.00 C ATOM 1586 O VAL A 102 -7.847 -3.504 4.797 1.00 0.00 O ATOM 1587 CB VAL A 102 -7.647 -0.803 5.916 1.00 0.00 C ATOM 1588 CG1 VAL A 102 -7.449 0.446 6.814 1.00 0.00 C ATOM 1589 CG2 VAL A 102 -7.114 -0.519 4.496 1.00 0.00 C ATOM 0 H VAL A 102 -5.136 -1.542 5.743 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.317 -2.055 7.617 1.00 0.00 H new ATOM 0 HB VAL A 102 -8.711 -1.021 5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.911 1.312 6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -7.913 0.273 7.785 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.383 0.632 6.949 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.604 0.368 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -6.038 -0.352 4.538 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.324 -1.372 3.851 1.00 0.00 H new ATOM 1599 N CYS A 103 -7.297 -4.479 6.780 1.00 0.00 N ATOM 1600 CA CYS A 103 -7.801 -5.852 6.527 1.00 0.00 C ATOM 1601 C CYS A 103 -6.996 -6.546 5.408 1.00 0.00 C ATOM 1602 O CYS A 103 -7.509 -7.436 4.707 1.00 0.00 O ATOM 1603 CB CYS A 103 -9.317 -5.854 6.247 1.00 0.00 C ATOM 1604 SG CYS A 103 -10.063 -7.502 6.136 1.00 0.00 S ATOM 0 H CYS A 103 -6.786 -4.405 7.660 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.650 -6.436 7.435 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.819 -5.295 7.036 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -9.501 -5.323 5.313 1.00 0.00 H new ATOM 0 HG CYS A 103 -9.289 -8.283 5.442 1.00 0.00 H new ATOM 1610 N ALA A 104 -5.718 -6.117 5.282 1.00 0.00 N ATOM 1611 CA ALA A 104 -4.701 -6.730 4.409 1.00 0.00 C ATOM 1612 C ALA A 104 -4.870 -6.344 2.928 1.00 0.00 C ATOM 1613 O ALA A 104 -5.896 -5.782 2.517 1.00 0.00 O ATOM 1614 CB ALA A 104 -4.640 -8.261 4.587 1.00 0.00 C ATOM 0 H ALA A 104 -5.361 -5.314 5.800 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.743 -6.319 4.729 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.878 -8.674 3.926 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -4.390 -8.497 5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.609 -8.695 4.340 1.00 0.00 H new ATOM 1620 N LEU A 105 -3.810 -6.619 2.146 1.00 0.00 N ATOM 1621 CA LEU A 105 -3.789 -6.408 0.696 1.00 0.00 C ATOM 1622 C LEU A 105 -4.584 -7.536 0.005 1.00 0.00 C ATOM 1623 O LEU A 105 -4.082 -8.659 -0.114 1.00 0.00 O ATOM 1624 CB LEU A 105 -2.312 -6.381 0.190 1.00 0.00 C ATOM 1625 CG LEU A 105 -1.344 -5.368 0.883 1.00 0.00 C ATOM 1626 CD1 LEU A 105 0.002 -5.279 0.127 1.00 0.00 C ATOM 1627 CD2 LEU A 105 -1.979 -3.973 1.065 1.00 0.00 C ATOM 0 H LEU A 105 -2.937 -6.998 2.512 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.253 -5.452 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.896 -7.382 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.323 -6.163 -0.878 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.147 -5.753 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.656 -4.567 0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.477 -6.260 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.176 -4.947 -0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.264 -3.309 1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.248 -3.566 0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -2.873 -4.058 1.682 1.00 0.00 H new ATOM 1639 N LEU A 106 -5.836 -7.242 -0.411 1.00 0.00 N ATOM 1640 CA LEU A 106 -6.770 -8.265 -0.951 1.00 0.00 C ATOM 1641 C LEU A 106 -6.910 -8.171 -2.489 1.00 0.00 C ATOM 1642 O LEU A 106 -6.786 -9.178 -3.181 1.00 0.00 O ATOM 1643 CB LEU A 106 -8.164 -8.141 -0.265 1.00 0.00 C ATOM 1644 CG LEU A 106 -8.166 -8.240 1.296 1.00 0.00 C ATOM 1645 CD1 LEU A 106 -9.586 -8.036 1.882 1.00 0.00 C ATOM 1646 CD2 LEU A 106 -7.542 -9.578 1.769 1.00 0.00 C ATOM 0 H LEU A 106 -6.228 -6.301 -0.384 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.348 -9.244 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.604 -7.186 -0.550 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.813 -8.922 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.545 -7.430 1.678 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -9.546 -8.112 2.969 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.958 -7.051 1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -10.255 -8.802 1.489 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.556 -9.621 2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.118 -10.411 1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.513 -9.644 1.416 1.00 0.00 H new ATOM 1658 N LEU A 107 -7.187 -6.960 -3.021 1.00 0.00 N ATOM 1659 CA LEU A 107 -7.378 -6.737 -4.483 1.00 0.00 C ATOM 1660 C LEU A 107 -6.230 -5.867 -5.032 1.00 0.00 C ATOM 1661 O LEU A 107 -5.987 -4.796 -4.485 1.00 0.00 O ATOM 1662 CB LEU A 107 -8.733 -6.032 -4.803 1.00 0.00 C ATOM 1663 CG LEU A 107 -10.058 -6.820 -4.549 1.00 0.00 C ATOM 1664 CD1 LEU A 107 -10.365 -7.003 -3.048 1.00 0.00 C ATOM 1665 CD2 LEU A 107 -11.241 -6.146 -5.289 1.00 0.00 C ATOM 0 H LEU A 107 -7.285 -6.113 -2.461 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.383 -7.718 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.776 -5.113 -4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.716 -5.741 -5.853 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.918 -7.822 -4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -11.297 -7.557 -2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -9.553 -7.556 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -10.463 -6.026 -2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -12.156 -6.708 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.362 -5.125 -4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.039 -6.130 -6.360 1.00 0.00 H new ATOM 1677 N PRO A 108 -5.546 -6.261 -6.153 1.00 0.00 N ATOM 1678 CA PRO A 108 -4.405 -5.487 -6.715 1.00 0.00 C ATOM 1679 C PRO A 108 -4.851 -4.321 -7.636 1.00 0.00 C ATOM 1680 O PRO A 108 -4.005 -3.694 -8.280 1.00 0.00 O ATOM 1681 CB PRO A 108 -3.647 -6.584 -7.497 1.00 0.00 C ATOM 1682 CG PRO A 108 -4.738 -7.473 -8.030 1.00 0.00 C ATOM 1683 CD PRO A 108 -5.829 -7.476 -6.973 1.00 0.00 C ATOM 0 HA PRO A 108 -3.811 -4.983 -5.953 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.050 -6.158 -8.303 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.964 -7.135 -6.851 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.117 -7.098 -8.981 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -4.366 -8.482 -8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.820 -7.431 -7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -5.795 -8.382 -6.368 1.00 0.00 H new ATOM 1691 N VAL A 109 -6.179 -4.040 -7.648 1.00 0.00 N ATOM 1692 CA VAL A 109 -6.841 -3.080 -8.552 1.00 0.00 C ATOM 1693 C VAL A 109 -6.800 -3.628 -10.007 1.00 0.00 C ATOM 1694 O VAL A 109 -7.773 -4.311 -10.400 1.00 0.00 O ATOM 1695 CB VAL A 109 -6.290 -1.597 -8.440 1.00 0.00 C ATOM 1696 CG1 VAL A 109 -7.068 -0.621 -9.371 1.00 0.00 C ATOM 1697 CG2 VAL A 109 -6.326 -1.114 -6.966 1.00 0.00 C ATOM 1698 OXT VAL A 109 -5.799 -3.417 -10.737 1.00 0.00 O ATOM 0 H VAL A 109 -6.833 -4.491 -7.008 1.00 0.00 H new ATOM 0 HA VAL A 109 -7.880 -2.994 -8.233 1.00 0.00 H new ATOM 0 HB VAL A 109 -5.253 -1.601 -8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -6.661 0.385 -9.266 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -6.966 -0.947 -10.406 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.122 -0.617 -9.094 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -5.944 -0.095 -6.908 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -7.352 -1.139 -6.600 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.706 -1.769 -6.353 1.00 0.00 H new