USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 407 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 Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -100:sc= -1.21 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 42:sc= 1.15 USER MOD Single : A 33 LYS NZ :NH3+ -101:sc= -0.0427 (180deg=-0.452) USER MOD Single : A 34 TYR OH : rot 165:sc= -0.222 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -2.24 K(o=-2.2,f=-7.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.373 F(o=-1.2,f=-0.37) USER MOD Single : A 57 THR OG1 : rot 45:sc= 0.168 USER MOD Single : A 58 ASN :FLIP amide:sc= -0.788 F(o=-2.1,f=-0.79) USER MOD Single : A 59 ASN : amide:sc= -1.73 K(o=-1.7,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 7 -6.207 -0.619 3.559 1.00 0.00 N ATOM 96 CA LYS A 7 -5.245 -1.663 3.096 1.00 0.00 C ATOM 97 C LYS A 7 -5.325 -1.820 1.575 1.00 0.00 C ATOM 98 O LYS A 7 -6.387 -2.041 1.021 1.00 0.00 O ATOM 99 CB LYS A 7 -5.691 -2.950 3.792 1.00 0.00 C ATOM 100 CG LYS A 7 -4.975 -3.077 5.137 1.00 0.00 C ATOM 101 CD LYS A 7 -5.114 -4.509 5.657 1.00 0.00 C ATOM 102 CE LYS A 7 -6.575 -4.781 6.023 1.00 0.00 C ATOM 103 NZ LYS A 7 -6.825 -6.184 5.588 1.00 0.00 N ATOM 0 HA LYS A 7 -4.213 -1.407 3.335 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.771 -2.939 3.942 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.465 -3.812 3.165 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.922 -2.820 5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.400 -2.375 5.855 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.781 -5.217 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.477 -4.654 6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.742 -4.664 7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.245 -4.085 5.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.808 -6.445 5.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.664 -6.264 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.177 -6.824 6.091 1.00 0.00 H new ATOM 117 N VAL A 8 -4.207 -1.729 0.900 1.00 0.00 N ATOM 118 CA VAL A 8 -4.204 -1.895 -0.585 1.00 0.00 C ATOM 119 C VAL A 8 -3.282 -3.050 -0.988 1.00 0.00 C ATOM 120 O VAL A 8 -2.397 -3.435 -0.247 1.00 0.00 O ATOM 121 CB VAL A 8 -3.685 -0.563 -1.140 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.639 0.564 -0.739 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.289 -0.269 -0.577 1.00 0.00 C ATOM 0 H VAL A 8 -3.293 -1.546 1.315 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.194 -2.133 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.628 -0.628 -2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.270 1.511 -1.134 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.630 0.363 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.697 0.622 0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.928 0.679 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.340 -0.209 0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.605 -1.068 -0.864 1.00 0.00 H new ATOM 133 N ARG A 9 -3.470 -3.586 -2.167 1.00 0.00 N ATOM 134 CA ARG A 9 -2.593 -4.699 -2.640 1.00 0.00 C ATOM 135 C ARG A 9 -1.283 -4.140 -3.201 1.00 0.00 C ATOM 136 O ARG A 9 -1.220 -3.003 -3.633 1.00 0.00 O ATOM 137 CB ARG A 9 -3.395 -5.396 -3.740 1.00 0.00 C ATOM 138 CG ARG A 9 -4.247 -6.507 -3.127 1.00 0.00 C ATOM 139 CD ARG A 9 -3.488 -7.835 -3.198 1.00 0.00 C ATOM 140 NE ARG A 9 -4.547 -8.885 -3.305 1.00 0.00 N ATOM 141 CZ ARG A 9 -4.304 -10.141 -2.988 1.00 0.00 C ATOM 142 NH1 ARG A 9 -3.111 -10.537 -2.608 1.00 0.00 N ATOM 143 NH2 ARG A 9 -5.272 -11.014 -3.056 1.00 0.00 N ATOM 0 H ARG A 9 -4.195 -3.300 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.325 -5.384 -1.835 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.033 -4.675 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.720 -5.812 -4.488 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.484 -6.267 -2.091 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.194 -6.589 -3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.819 -7.861 -4.058 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.873 -7.985 -2.311 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.478 -8.624 -3.630 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.345 -9.866 -2.552 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.951 -11.515 -2.368 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.203 -10.721 -3.352 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -5.097 -11.989 -2.813 1.00 0.00 H new ATOM 157 N ILE A 10 -0.250 -4.943 -3.231 1.00 0.00 N ATOM 158 CA ILE A 10 1.050 -4.481 -3.804 1.00 0.00 C ATOM 159 C ILE A 10 1.205 -4.999 -5.237 1.00 0.00 C ATOM 160 O ILE A 10 1.098 -6.185 -5.492 1.00 0.00 O ATOM 161 CB ILE A 10 2.127 -5.081 -2.891 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.920 -4.596 -1.445 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.516 -4.659 -3.381 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.012 -3.065 -1.377 1.00 0.00 C ATOM 0 H ILE A 10 -0.251 -5.902 -2.882 1.00 0.00 H new ATOM 0 HA ILE A 10 1.120 -3.394 -3.849 1.00 0.00 H new ATOM 0 HB ILE A 10 2.049 -6.168 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.947 -4.925 -1.080 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.672 -5.041 -0.794 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.277 -5.088 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.667 -5.017 -4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.593 -3.572 -3.363 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.864 -2.737 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.995 -2.744 -1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.243 -2.626 -2.012 1.00 0.00 H new ATOM 176 N LEU A 11 1.477 -4.120 -6.169 1.00 0.00 N ATOM 177 CA LEU A 11 1.667 -4.555 -7.585 1.00 0.00 C ATOM 178 C LEU A 11 3.140 -4.429 -7.983 1.00 0.00 C ATOM 179 O LEU A 11 3.461 -4.073 -9.101 1.00 0.00 O ATOM 180 CB LEU A 11 0.802 -3.598 -8.414 1.00 0.00 C ATOM 181 CG LEU A 11 -0.652 -4.095 -8.472 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.708 -5.473 -9.135 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.229 -4.187 -7.053 1.00 0.00 C ATOM 0 H LEU A 11 1.576 -3.118 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 11 1.384 -5.596 -7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.834 -2.600 -7.977 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.205 -3.517 -9.424 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.242 -3.390 -9.058 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.742 -5.817 -9.172 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.312 -5.406 -10.148 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.111 -6.179 -8.558 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.259 -4.540 -7.101 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.634 -4.884 -6.463 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.204 -3.203 -6.586 1.00 0.00 H new ATOM 195 N ARG A 12 4.035 -4.737 -7.079 1.00 0.00 N ATOM 196 CA ARG A 12 5.492 -4.660 -7.400 1.00 0.00 C ATOM 197 C ARG A 12 6.120 -6.062 -7.358 1.00 0.00 C ATOM 198 O ARG A 12 6.622 -6.476 -6.332 1.00 0.00 O ATOM 199 CB ARG A 12 6.090 -3.770 -6.309 1.00 0.00 C ATOM 200 CG ARG A 12 7.298 -3.017 -6.870 1.00 0.00 C ATOM 201 CD ARG A 12 7.421 -1.659 -6.173 1.00 0.00 C ATOM 202 NE ARG A 12 8.890 -1.457 -5.969 1.00 0.00 N ATOM 203 CZ ARG A 12 9.349 -0.615 -5.065 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.541 0.116 -4.332 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.638 -0.506 -4.893 1.00 0.00 N ATOM 0 H ARG A 12 3.818 -5.039 -6.129 1.00 0.00 H new ATOM 0 HA ARG A 12 5.675 -4.261 -8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.342 -3.063 -5.951 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.391 -4.376 -5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.206 -3.600 -6.717 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.186 -2.877 -7.945 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.995 -0.863 -6.783 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.887 -1.654 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 12 9.550 -1.982 -6.542 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.531 0.040 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.923 0.760 -3.639 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.277 -1.069 -5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.007 0.142 -4.197 1.00 0.00 H new ATOM 219 N PRO A 13 6.077 -6.759 -8.478 1.00 0.00 N ATOM 220 CA PRO A 13 6.658 -8.131 -8.547 1.00 0.00 C ATOM 221 C PRO A 13 8.111 -8.140 -8.053 1.00 0.00 C ATOM 222 O PRO A 13 8.602 -9.139 -7.562 1.00 0.00 O ATOM 223 CB PRO A 13 6.597 -8.474 -10.034 1.00 0.00 C ATOM 224 CG PRO A 13 5.498 -7.623 -10.580 1.00 0.00 C ATOM 225 CD PRO A 13 5.491 -6.355 -9.769 1.00 0.00 C ATOM 0 HA PRO A 13 6.123 -8.844 -7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.545 -8.260 -10.528 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.390 -9.533 -10.187 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.664 -7.407 -11.635 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.539 -8.135 -10.506 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.079 -5.571 -10.247 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.481 -5.965 -9.645 1.00 0.00 H new ATOM 233 N GLU A 14 8.789 -7.024 -8.159 1.00 0.00 N ATOM 234 CA GLU A 14 10.201 -6.952 -7.674 1.00 0.00 C ATOM 235 C GLU A 14 10.236 -6.891 -6.143 1.00 0.00 C ATOM 236 O GLU A 14 11.198 -7.297 -5.521 1.00 0.00 O ATOM 237 CB GLU A 14 10.764 -5.661 -8.273 1.00 0.00 C ATOM 238 CG GLU A 14 11.481 -5.978 -9.587 1.00 0.00 C ATOM 239 CD GLU A 14 12.962 -6.246 -9.310 1.00 0.00 C ATOM 240 OE1 GLU A 14 13.550 -5.486 -8.559 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.481 -7.206 -9.854 1.00 0.00 O ATOM 0 H GLU A 14 8.425 -6.160 -8.561 1.00 0.00 H new ATOM 0 HA GLU A 14 10.781 -7.826 -7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.959 -4.948 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.456 -5.194 -7.572 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.026 -6.848 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.375 -5.144 -10.281 1.00 0.00 H new ATOM 248 N SER A 15 9.197 -6.373 -5.537 1.00 0.00 N ATOM 249 CA SER A 15 9.171 -6.265 -4.046 1.00 0.00 C ATOM 250 C SER A 15 8.926 -7.641 -3.419 1.00 0.00 C ATOM 251 O SER A 15 8.103 -8.406 -3.886 1.00 0.00 O ATOM 252 CB SER A 15 8.012 -5.319 -3.730 1.00 0.00 C ATOM 253 OG SER A 15 8.282 -4.043 -4.294 1.00 0.00 O ATOM 0 H SER A 15 8.365 -6.020 -6.011 1.00 0.00 H new ATOM 0 HA SER A 15 10.115 -5.896 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.081 -5.718 -4.133 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.881 -5.233 -2.651 1.00 0.00 H new ATOM 0 HG SER A 15 8.619 -3.442 -3.597 1.00 0.00 H new ATOM 259 N TYR A 16 9.582 -7.927 -2.322 1.00 0.00 N ATOM 260 CA TYR A 16 9.334 -9.218 -1.607 1.00 0.00 C ATOM 261 C TYR A 16 7.867 -9.315 -1.177 1.00 0.00 C ATOM 262 O TYR A 16 7.335 -10.395 -0.996 1.00 0.00 O ATOM 263 CB TYR A 16 10.254 -9.181 -0.381 1.00 0.00 C ATOM 264 CG TYR A 16 10.131 -10.477 0.387 1.00 0.00 C ATOM 265 CD1 TYR A 16 9.091 -10.648 1.308 1.00 0.00 C ATOM 266 CD2 TYR A 16 11.057 -11.505 0.178 1.00 0.00 C ATOM 267 CE1 TYR A 16 8.976 -11.847 2.020 1.00 0.00 C ATOM 268 CE2 TYR A 16 10.943 -12.706 0.890 1.00 0.00 C ATOM 269 CZ TYR A 16 9.903 -12.876 1.811 1.00 0.00 C ATOM 270 OH TYR A 16 9.790 -14.059 2.513 1.00 0.00 O ATOM 0 H TYR A 16 10.280 -7.322 -1.890 1.00 0.00 H new ATOM 0 HA TYR A 16 9.536 -10.083 -2.240 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.287 -9.029 -0.694 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.988 -8.340 0.260 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.377 -9.854 1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.860 -11.372 -0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.173 -11.979 2.730 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.657 -13.500 0.728 1.00 0.00 H new ATOM 0 HH TYR A 16 10.512 -14.667 2.248 1.00 0.00 H new ATOM 280 N TRP A 17 7.228 -8.193 -0.958 1.00 0.00 N ATOM 281 CA TRP A 17 5.815 -8.212 -0.474 1.00 0.00 C ATOM 282 C TRP A 17 4.849 -8.060 -1.654 1.00 0.00 C ATOM 283 O TRP A 17 3.804 -7.449 -1.534 1.00 0.00 O ATOM 284 CB TRP A 17 5.700 -7.014 0.470 1.00 0.00 C ATOM 285 CG TRP A 17 6.617 -7.208 1.636 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.409 -8.075 2.652 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.878 -6.537 1.922 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.463 -7.981 3.544 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.394 -7.045 3.137 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.617 -5.545 1.251 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.599 -6.587 3.668 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.831 -5.081 1.783 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.321 -5.602 2.989 1.00 0.00 C ATOM 0 H TRP A 17 7.625 -7.263 -1.094 1.00 0.00 H new ATOM 0 HA TRP A 17 5.564 -9.148 0.025 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.955 -6.095 -0.058 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.672 -6.907 0.816 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.559 -8.734 2.751 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.543 -8.535 4.397 1.00 0.00 H new ATOM 0 HE3 TRP A 17 8.248 -5.138 0.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.972 -6.991 4.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.390 -4.319 1.260 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.256 -5.242 3.393 1.00 0.00 H new ATOM 304 N PHE A 18 5.159 -8.676 -2.766 1.00 0.00 N ATOM 305 CA PHE A 18 4.222 -8.642 -3.932 1.00 0.00 C ATOM 306 C PHE A 18 2.980 -9.487 -3.635 1.00 0.00 C ATOM 307 O PHE A 18 3.012 -10.390 -2.822 1.00 0.00 O ATOM 308 CB PHE A 18 5.010 -9.241 -5.098 1.00 0.00 C ATOM 309 CG PHE A 18 4.186 -9.152 -6.361 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.778 -7.903 -6.844 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.829 -10.319 -7.047 1.00 0.00 C ATOM 312 CE1 PHE A 18 3.015 -7.820 -8.014 1.00 0.00 C ATOM 313 CE2 PHE A 18 3.064 -10.235 -8.217 1.00 0.00 C ATOM 314 CZ PHE A 18 2.657 -8.987 -8.701 1.00 0.00 C ATOM 0 H PHE A 18 6.020 -9.201 -2.918 1.00 0.00 H new ATOM 0 HA PHE A 18 3.877 -7.632 -4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.952 -8.707 -5.227 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.259 -10.281 -4.886 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.052 -7.003 -6.313 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.143 -11.283 -6.674 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.702 -6.856 -8.387 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.788 -11.135 -8.746 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.067 -8.923 -9.604 1.00 0.00 H new ATOM 324 N GLN A 19 1.890 -9.217 -4.314 1.00 0.00 N ATOM 325 CA GLN A 19 0.636 -10.018 -4.111 1.00 0.00 C ATOM 326 C GLN A 19 0.256 -10.068 -2.626 1.00 0.00 C ATOM 327 O GLN A 19 -0.390 -10.995 -2.175 1.00 0.00 O ATOM 328 CB GLN A 19 0.962 -11.422 -4.630 1.00 0.00 C ATOM 329 CG GLN A 19 0.676 -11.492 -6.131 1.00 0.00 C ATOM 330 CD GLN A 19 1.181 -12.824 -6.687 1.00 0.00 C ATOM 331 OE1 GLN A 19 2.279 -13.247 -6.381 1.00 0.00 O ATOM 332 NE2 GLN A 19 0.421 -13.510 -7.496 1.00 0.00 N ATOM 0 H GLN A 19 1.813 -8.471 -5.005 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.212 -9.577 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.008 -11.658 -4.437 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.365 -12.164 -4.101 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.394 -11.393 -6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.165 -10.663 -6.644 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.500 -13.156 -7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.748 -14.400 -7.871 1.00 0.00 H new ATOM 341 N ASP A 20 0.620 -9.058 -1.878 1.00 0.00 N ATOM 342 CA ASP A 20 0.245 -9.014 -0.433 1.00 0.00 C ATOM 343 C ASP A 20 -0.507 -7.718 -0.121 1.00 0.00 C ATOM 344 O ASP A 20 -0.349 -6.720 -0.799 1.00 0.00 O ATOM 345 CB ASP A 20 1.574 -9.059 0.322 1.00 0.00 C ATOM 346 CG ASP A 20 1.932 -10.512 0.640 1.00 0.00 C ATOM 347 OD1 ASP A 20 1.186 -11.138 1.376 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.945 -10.974 0.143 1.00 0.00 O ATOM 0 H ASP A 20 1.163 -8.259 -2.207 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.412 -9.837 -0.151 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.361 -8.603 -0.278 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.501 -8.481 1.244 1.00 0.00 H new ATOM 353 N VAL A 21 -1.305 -7.721 0.917 1.00 0.00 N ATOM 354 CA VAL A 21 -2.049 -6.484 1.301 1.00 0.00 C ATOM 355 C VAL A 21 -1.325 -5.771 2.449 1.00 0.00 C ATOM 356 O VAL A 21 -1.401 -6.183 3.591 1.00 0.00 O ATOM 357 CB VAL A 21 -3.432 -6.971 1.751 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.293 -5.774 2.162 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.117 -7.711 0.598 1.00 0.00 C ATOM 0 H VAL A 21 -1.473 -8.529 1.516 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.121 -5.772 0.479 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.314 -7.644 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.275 -6.124 2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.812 -5.245 2.984 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.407 -5.099 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.100 -8.056 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.229 -7.037 -0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.510 -8.567 0.304 1.00 0.00 H new ATOM 369 N GLY A 22 -0.641 -4.695 2.151 1.00 0.00 N ATOM 370 CA GLY A 22 0.072 -3.935 3.219 1.00 0.00 C ATOM 371 C GLY A 22 -0.815 -2.791 3.712 1.00 0.00 C ATOM 372 O GLY A 22 -1.773 -2.416 3.064 1.00 0.00 O ATOM 0 H GLY A 22 -0.546 -4.310 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.321 -4.598 4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.012 -3.540 2.833 1.00 0.00 H new ATOM 376 N THR A 23 -0.485 -2.218 4.841 1.00 0.00 N ATOM 377 CA THR A 23 -1.286 -1.073 5.371 1.00 0.00 C ATOM 378 C THR A 23 -0.622 0.254 4.997 1.00 0.00 C ATOM 379 O THR A 23 0.589 0.376 5.004 1.00 0.00 O ATOM 380 CB THR A 23 -1.292 -1.262 6.888 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.636 -2.607 7.195 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.314 -0.315 7.518 1.00 0.00 C ATOM 0 H THR A 23 0.307 -2.495 5.421 1.00 0.00 H new ATOM 0 HA THR A 23 -2.295 -1.049 4.960 1.00 0.00 H new ATOM 0 HB THR A 23 -0.302 -1.040 7.286 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.639 -2.730 8.167 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.317 -0.451 8.600 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.049 0.716 7.282 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.306 -0.534 7.122 1.00 0.00 H new ATOM 390 N VAL A 24 -1.410 1.257 4.701 1.00 0.00 N ATOM 391 CA VAL A 24 -0.834 2.594 4.360 1.00 0.00 C ATOM 392 C VAL A 24 -0.453 3.342 5.643 1.00 0.00 C ATOM 393 O VAL A 24 -1.291 3.623 6.479 1.00 0.00 O ATOM 394 CB VAL A 24 -1.950 3.333 3.613 1.00 0.00 C ATOM 395 CG1 VAL A 24 -1.463 4.725 3.202 1.00 0.00 C ATOM 396 CG2 VAL A 24 -2.335 2.546 2.358 1.00 0.00 C ATOM 0 H VAL A 24 -2.429 1.208 4.681 1.00 0.00 H new ATOM 0 HA VAL A 24 0.070 2.515 3.756 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.816 3.428 4.268 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.259 5.247 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.188 5.292 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.595 4.629 2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.129 3.072 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.466 2.450 1.708 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.685 1.554 2.644 1.00 0.00 H new ATOM 406 N ALA A 25 0.804 3.673 5.794 1.00 0.00 N ATOM 407 CA ALA A 25 1.248 4.414 7.012 1.00 0.00 C ATOM 408 C ALA A 25 1.078 5.922 6.806 1.00 0.00 C ATOM 409 O ALA A 25 0.580 6.621 7.668 1.00 0.00 O ATOM 410 CB ALA A 25 2.726 4.058 7.175 1.00 0.00 C ATOM 0 H ALA A 25 1.544 3.461 5.124 1.00 0.00 H new ATOM 0 HA ALA A 25 0.665 4.147 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.128 4.565 8.052 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.829 2.980 7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.276 4.374 6.289 1.00 0.00 H new ATOM 416 N SER A 26 1.476 6.420 5.663 1.00 0.00 N ATOM 417 CA SER A 26 1.325 7.880 5.384 1.00 0.00 C ATOM 418 C SER A 26 1.507 8.154 3.888 1.00 0.00 C ATOM 419 O SER A 26 2.042 7.338 3.160 1.00 0.00 O ATOM 420 CB SER A 26 2.434 8.554 6.190 1.00 0.00 C ATOM 421 OG SER A 26 1.916 8.961 7.450 1.00 0.00 O ATOM 0 H SER A 26 1.900 5.878 4.910 1.00 0.00 H new ATOM 0 HA SER A 26 0.338 8.253 5.658 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.267 7.865 6.331 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.822 9.416 5.647 1.00 0.00 H new ATOM 0 HG SER A 26 1.340 8.255 7.811 1.00 0.00 H new ATOM 427 N VAL A 27 1.093 9.309 3.434 1.00 0.00 N ATOM 428 CA VAL A 27 1.269 9.662 1.993 1.00 0.00 C ATOM 429 C VAL A 27 2.021 10.990 1.866 1.00 0.00 C ATOM 430 O VAL A 27 1.561 12.019 2.326 1.00 0.00 O ATOM 431 CB VAL A 27 -0.154 9.788 1.434 1.00 0.00 C ATOM 432 CG1 VAL A 27 -0.094 10.140 -0.054 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.893 8.458 1.607 1.00 0.00 C ATOM 0 H VAL A 27 0.639 10.025 4.001 1.00 0.00 H new ATOM 0 HA VAL A 27 1.850 8.915 1.451 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.682 10.574 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.106 10.229 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.430 11.087 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.437 9.355 -0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.904 8.549 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.361 7.673 1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.941 8.204 2.666 1.00 0.00 H new ATOM 509 N LYS A 33 10.097 8.932 -5.452 1.00 0.00 N ATOM 510 CA LYS A 33 9.880 7.697 -6.271 1.00 0.00 C ATOM 511 C LYS A 33 8.577 7.003 -5.857 1.00 0.00 C ATOM 512 O LYS A 33 7.934 6.348 -6.655 1.00 0.00 O ATOM 513 CB LYS A 33 11.090 6.797 -5.986 1.00 0.00 C ATOM 514 CG LYS A 33 11.175 6.489 -4.487 1.00 0.00 C ATOM 515 CD LYS A 33 12.210 5.387 -4.251 1.00 0.00 C ATOM 516 CE LYS A 33 13.567 6.020 -3.930 1.00 0.00 C ATOM 517 NZ LYS A 33 14.297 6.040 -5.228 1.00 0.00 N ATOM 0 HA LYS A 33 9.792 7.924 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.004 5.869 -6.552 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.005 7.289 -6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.452 7.387 -3.935 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.201 6.174 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.893 4.745 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.292 4.755 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.448 7.026 -3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.107 5.439 -3.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.976 5.253 -5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.618 5.941 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.808 6.941 -5.325 1.00 0.00 H new ATOM 531 N TYR A 34 8.163 7.181 -4.627 1.00 0.00 N ATOM 532 CA TYR A 34 6.875 6.577 -4.170 1.00 0.00 C ATOM 533 C TYR A 34 6.131 7.553 -3.244 1.00 0.00 C ATOM 534 O TYR A 34 6.395 7.591 -2.058 1.00 0.00 O ATOM 535 CB TYR A 34 7.279 5.315 -3.407 1.00 0.00 C ATOM 536 CG TYR A 34 7.925 4.333 -4.356 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.258 3.940 -5.523 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.193 3.813 -4.066 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.860 3.029 -6.400 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.794 2.902 -4.944 1.00 0.00 C ATOM 541 CZ TYR A 34 9.127 2.510 -6.110 1.00 0.00 C ATOM 542 OH TYR A 34 9.719 1.612 -6.975 1.00 0.00 O ATOM 0 H TYR A 34 8.663 7.719 -3.919 1.00 0.00 H new ATOM 0 HA TYR A 34 6.205 6.354 -5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.971 5.569 -2.604 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.403 4.863 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.280 4.339 -5.747 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.707 4.115 -3.165 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.346 2.727 -7.301 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.772 2.502 -4.721 1.00 0.00 H new ATOM 0 HH TYR A 34 10.673 1.534 -6.763 1.00 0.00 H new ATOM 552 N PRO A 35 5.218 8.320 -3.810 1.00 0.00 N ATOM 553 CA PRO A 35 4.439 9.302 -3.003 1.00 0.00 C ATOM 554 C PRO A 35 3.785 8.626 -1.789 1.00 0.00 C ATOM 555 O PRO A 35 3.496 9.268 -0.796 1.00 0.00 O ATOM 556 CB PRO A 35 3.372 9.801 -3.976 1.00 0.00 C ATOM 557 CG PRO A 35 3.953 9.576 -5.333 1.00 0.00 C ATOM 558 CD PRO A 35 4.828 8.356 -5.231 1.00 0.00 C ATOM 0 HA PRO A 35 5.062 10.101 -2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.437 9.255 -3.851 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.149 10.855 -3.811 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.165 9.427 -6.072 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.532 10.442 -5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.291 7.453 -5.521 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.698 8.432 -5.883 1.00 0.00 H new ATOM 566 N VAL A 36 3.502 7.352 -1.887 1.00 0.00 N ATOM 567 CA VAL A 36 2.807 6.646 -0.768 1.00 0.00 C ATOM 568 C VAL A 36 3.760 5.645 -0.106 1.00 0.00 C ATOM 569 O VAL A 36 4.734 5.219 -0.698 1.00 0.00 O ATOM 570 CB VAL A 36 1.626 5.920 -1.422 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.828 5.165 -0.355 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.709 6.941 -2.104 1.00 0.00 C ATOM 0 H VAL A 36 3.722 6.769 -2.695 1.00 0.00 H new ATOM 0 HA VAL A 36 2.475 7.332 0.011 1.00 0.00 H new ATOM 0 HB VAL A 36 2.006 5.215 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.011 4.650 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.474 4.436 0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.452 5.871 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.130 6.423 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.334 7.646 -1.362 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.270 7.481 -2.867 1.00 0.00 H new ATOM 582 N ILE A 37 3.470 5.253 1.109 1.00 0.00 N ATOM 583 CA ILE A 37 4.337 4.257 1.808 1.00 0.00 C ATOM 584 C ILE A 37 3.476 3.140 2.404 1.00 0.00 C ATOM 585 O ILE A 37 2.337 3.354 2.776 1.00 0.00 O ATOM 586 CB ILE A 37 5.042 5.048 2.917 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.864 6.183 2.297 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.976 4.120 3.700 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.027 7.464 2.269 1.00 0.00 C ATOM 0 H ILE A 37 2.668 5.581 1.648 1.00 0.00 H new ATOM 0 HA ILE A 37 5.051 3.784 1.134 1.00 0.00 H new ATOM 0 HB ILE A 37 4.292 5.464 3.590 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.775 6.344 2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.170 5.914 1.286 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.475 4.686 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.396 3.312 4.146 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.722 3.701 3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.612 8.271 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.129 7.299 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.743 7.735 3.286 1.00 0.00 H new ATOM 601 N VAL A 38 4.013 1.948 2.494 1.00 0.00 N ATOM 602 CA VAL A 38 3.231 0.809 3.063 1.00 0.00 C ATOM 603 C VAL A 38 4.031 0.133 4.182 1.00 0.00 C ATOM 604 O VAL A 38 5.189 -0.201 4.014 1.00 0.00 O ATOM 605 CB VAL A 38 3.018 -0.156 1.891 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.207 -1.367 2.361 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.253 0.557 0.772 1.00 0.00 C ATOM 0 H VAL A 38 4.961 1.715 2.197 1.00 0.00 H new ATOM 0 HA VAL A 38 2.284 1.131 3.497 1.00 0.00 H new ATOM 0 HB VAL A 38 3.988 -0.487 1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.057 -2.051 1.526 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.747 -1.879 3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.239 -1.034 2.735 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.102 -0.130 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.285 0.890 1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.826 1.419 0.432 1.00 0.00 H new ATOM 617 N ARG A 39 3.393 -0.143 5.293 1.00 0.00 N ATOM 618 CA ARG A 39 4.080 -0.884 6.392 1.00 0.00 C ATOM 619 C ARG A 39 3.756 -2.378 6.304 1.00 0.00 C ATOM 620 O ARG A 39 2.617 -2.764 6.123 1.00 0.00 O ATOM 621 CB ARG A 39 3.516 -0.289 7.684 1.00 0.00 C ATOM 622 CG ARG A 39 4.285 -0.849 8.882 1.00 0.00 C ATOM 623 CD ARG A 39 4.349 0.209 9.987 1.00 0.00 C ATOM 624 NE ARG A 39 3.104 0.007 10.788 1.00 0.00 N ATOM 625 CZ ARG A 39 2.947 -1.050 11.561 1.00 0.00 C ATOM 626 NH1 ARG A 39 3.895 -1.949 11.697 1.00 0.00 N ATOM 627 NH2 ARG A 39 1.824 -1.206 12.208 1.00 0.00 N ATOM 0 H ARG A 39 2.425 0.114 5.485 1.00 0.00 H new ATOM 0 HA ARG A 39 5.165 -0.790 6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.597 0.798 7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.456 -0.528 7.775 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.795 -1.749 9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.292 -1.136 8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.239 0.083 10.603 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.390 1.215 9.569 1.00 0.00 H new ATOM 0 HE ARG A 39 2.359 0.702 10.736 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.778 -1.839 11.198 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.748 -2.758 12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.080 -0.515 12.113 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.690 -2.019 12.809 1.00 0.00 H new ATOM 641 N PHE A 40 4.757 -3.217 6.398 1.00 0.00 N ATOM 642 CA PHE A 40 4.522 -4.688 6.284 1.00 0.00 C ATOM 643 C PHE A 40 4.809 -5.375 7.621 1.00 0.00 C ATOM 644 O PHE A 40 5.673 -4.959 8.370 1.00 0.00 O ATOM 645 CB PHE A 40 5.507 -5.163 5.215 1.00 0.00 C ATOM 646 CG PHE A 40 5.170 -4.513 3.895 1.00 0.00 C ATOM 647 CD1 PHE A 40 5.534 -3.183 3.656 1.00 0.00 C ATOM 648 CD2 PHE A 40 4.493 -5.241 2.909 1.00 0.00 C ATOM 649 CE1 PHE A 40 5.223 -2.580 2.432 1.00 0.00 C ATOM 650 CE2 PHE A 40 4.182 -4.638 1.685 1.00 0.00 C ATOM 651 CZ PHE A 40 4.545 -3.307 1.446 1.00 0.00 C ATOM 0 H PHE A 40 5.729 -2.946 6.549 1.00 0.00 H new ATOM 0 HA PHE A 40 3.490 -4.923 6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.526 -4.911 5.507 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.462 -6.248 5.120 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.055 -2.621 4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.211 -6.267 3.093 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.506 -1.554 2.248 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.661 -5.200 0.924 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.302 -2.842 0.502 1.00 0.00 H new ATOM 661 N GLU A 41 4.128 -6.459 7.897 1.00 0.00 N ATOM 662 CA GLU A 41 4.399 -7.222 9.151 1.00 0.00 C ATOM 663 C GLU A 41 5.450 -8.307 8.893 1.00 0.00 C ATOM 664 O GLU A 41 6.271 -8.598 9.742 1.00 0.00 O ATOM 665 CB GLU A 41 3.059 -7.853 9.529 1.00 0.00 C ATOM 666 CG GLU A 41 2.172 -6.804 10.202 1.00 0.00 C ATOM 667 CD GLU A 41 1.566 -5.887 9.138 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.569 -6.274 8.550 1.00 0.00 O ATOM 669 OE2 GLU A 41 2.109 -4.815 8.929 1.00 0.00 O ATOM 0 H GLU A 41 3.394 -6.848 7.305 1.00 0.00 H new ATOM 0 HA GLU A 41 4.788 -6.585 9.946 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.566 -8.245 8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.219 -8.695 10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.380 -7.293 10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.757 -6.218 10.911 1.00 0.00 H new ATOM 676 N LYS A 42 5.455 -8.868 7.711 1.00 0.00 N ATOM 677 CA LYS A 42 6.485 -9.894 7.368 1.00 0.00 C ATOM 678 C LYS A 42 7.773 -9.214 6.899 1.00 0.00 C ATOM 679 O LYS A 42 7.757 -8.089 6.435 1.00 0.00 O ATOM 680 CB LYS A 42 5.867 -10.711 6.233 1.00 0.00 C ATOM 681 CG LYS A 42 6.554 -12.076 6.153 1.00 0.00 C ATOM 682 CD LYS A 42 5.708 -13.026 5.304 1.00 0.00 C ATOM 683 CE LYS A 42 5.842 -14.451 5.843 1.00 0.00 C ATOM 684 NZ LYS A 42 4.848 -15.249 5.070 1.00 0.00 N ATOM 0 H LYS A 42 4.789 -8.659 6.967 1.00 0.00 H new ATOM 0 HA LYS A 42 6.748 -10.517 8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.798 -10.840 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.977 -10.181 5.287 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.548 -11.970 5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.687 -12.487 7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 42 4.663 -12.715 5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.032 -12.987 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.853 -14.834 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A 42 5.634 -14.490 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.880 -16.240 5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.895 -14.866 5.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.075 -15.199 4.056 1.00 0.00 H new ATOM 698 N VAL A 43 8.874 -9.921 6.939 1.00 0.00 N ATOM 699 CA VAL A 43 10.152 -9.358 6.407 1.00 0.00 C ATOM 700 C VAL A 43 10.517 -10.033 5.081 1.00 0.00 C ATOM 701 O VAL A 43 9.769 -10.838 4.560 1.00 0.00 O ATOM 702 CB VAL A 43 11.208 -9.660 7.479 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.835 -8.938 8.775 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.276 -11.170 7.741 1.00 0.00 C ATOM 0 H VAL A 43 8.943 -10.866 7.318 1.00 0.00 H new ATOM 0 HA VAL A 43 10.077 -8.289 6.208 1.00 0.00 H new ATOM 0 HB VAL A 43 12.181 -9.314 7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.583 -9.151 9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.796 -7.864 8.595 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.860 -9.284 9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 43 12.028 -11.374 8.503 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.305 -11.523 8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.544 -11.687 6.820 1.00 0.00 H new ATOM 714 N ASN A 44 11.685 -9.749 4.564 1.00 0.00 N ATOM 715 CA ASN A 44 12.136 -10.418 3.306 1.00 0.00 C ATOM 716 C ASN A 44 13.498 -11.089 3.523 1.00 0.00 C ATOM 717 O ASN A 44 13.894 -11.358 4.642 1.00 0.00 O ATOM 718 CB ASN A 44 12.235 -9.292 2.269 1.00 0.00 C ATOM 719 CG ASN A 44 13.239 -8.233 2.734 1.00 0.00 C ATOM 720 OD1 ASN A 44 14.371 -8.215 2.292 1.00 0.00 O ATOM 721 ND2 ASN A 44 12.870 -7.344 3.615 1.00 0.00 N ATOM 0 H ASN A 44 12.347 -9.081 4.959 1.00 0.00 H new ATOM 0 HA ASN A 44 11.451 -11.202 2.983 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.545 -9.700 1.307 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.256 -8.836 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.531 -6.635 3.932 1.00 0.00 H new ATOM 0 HD22 ASN A 44 11.920 -7.358 3.987 1.00 0.00 H new ATOM 728 N TYR A 45 14.195 -11.398 2.458 1.00 0.00 N ATOM 729 CA TYR A 45 15.512 -12.098 2.593 1.00 0.00 C ATOM 730 C TYR A 45 16.481 -11.260 3.434 1.00 0.00 C ATOM 731 O TYR A 45 17.374 -11.786 4.072 1.00 0.00 O ATOM 732 CB TYR A 45 16.037 -12.247 1.163 1.00 0.00 C ATOM 733 CG TYR A 45 15.110 -13.143 0.377 1.00 0.00 C ATOM 734 CD1 TYR A 45 14.948 -14.482 0.750 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.412 -12.633 -0.724 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.088 -15.312 0.021 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.552 -13.463 -1.453 1.00 0.00 C ATOM 738 CZ TYR A 45 13.390 -14.803 -1.081 1.00 0.00 C ATOM 739 OH TYR A 45 12.542 -15.621 -1.799 1.00 0.00 O ATOM 0 H TYR A 45 13.910 -11.196 1.500 1.00 0.00 H new ATOM 0 HA TYR A 45 15.411 -13.061 3.093 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.106 -11.269 0.686 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.043 -12.667 1.175 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.486 -14.875 1.600 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.537 -11.599 -1.011 1.00 0.00 H new ATOM 0 HE1 TYR A 45 13.963 -16.345 0.309 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.013 -13.070 -2.302 1.00 0.00 H new ATOM 0 HH TYR A 45 12.136 -15.110 -2.530 1.00 0.00 H new ATOM 749 N SER A 46 16.306 -9.962 3.442 1.00 0.00 N ATOM 750 CA SER A 46 17.210 -9.084 4.245 1.00 0.00 C ATOM 751 C SER A 46 16.699 -8.971 5.685 1.00 0.00 C ATOM 752 O SER A 46 17.277 -9.526 6.601 1.00 0.00 O ATOM 753 CB SER A 46 17.162 -7.724 3.550 1.00 0.00 C ATOM 754 OG SER A 46 17.780 -7.827 2.274 1.00 0.00 O ATOM 0 H SER A 46 15.575 -9.472 2.926 1.00 0.00 H new ATOM 0 HA SER A 46 18.225 -9.478 4.300 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.129 -7.395 3.441 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.673 -6.975 4.155 1.00 0.00 H new ATOM 0 HG SER A 46 17.749 -6.957 1.825 1.00 0.00 H new ATOM 760 N GLY A 47 15.624 -8.254 5.887 1.00 0.00 N ATOM 761 CA GLY A 47 15.070 -8.097 7.265 1.00 0.00 C ATOM 762 C GLY A 47 14.484 -6.693 7.424 1.00 0.00 C ATOM 763 O GLY A 47 14.889 -5.936 8.288 1.00 0.00 O ATOM 0 H GLY A 47 15.105 -7.769 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.300 -8.847 7.446 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.854 -8.261 8.004 1.00 0.00 H new ATOM 767 N ILE A 55 13.539 -6.337 6.591 1.00 0.00 N ATOM 768 CA ILE A 55 12.924 -4.979 6.680 1.00 0.00 C ATOM 769 C ILE A 55 11.405 -5.106 6.849 1.00 0.00 C ATOM 770 O ILE A 55 10.814 -6.103 6.477 1.00 0.00 O ATOM 771 CB ILE A 55 13.268 -4.297 5.350 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.791 -4.205 5.197 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.673 -2.886 5.320 1.00 0.00 C ATOM 774 CD1 ILE A 55 15.166 -4.374 3.722 1.00 0.00 C ATOM 0 H ILE A 55 13.166 -6.931 5.851 1.00 0.00 H new ATOM 0 HA ILE A 55 13.294 -4.408 7.532 1.00 0.00 H new ATOM 0 HB ILE A 55 12.852 -4.884 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.147 -3.243 5.566 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.275 -4.976 5.797 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.921 -2.407 4.373 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.590 -2.946 5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.085 -2.300 6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 55 16.248 -4.309 3.612 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.823 -5.346 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.694 -3.587 3.134 1.00 0.00 H new ATOM 786 N ASN A 56 10.769 -4.086 7.369 1.00 0.00 N ATOM 787 CA ASN A 56 9.282 -4.122 7.521 1.00 0.00 C ATOM 788 C ASN A 56 8.675 -2.755 7.187 1.00 0.00 C ATOM 789 O ASN A 56 7.594 -2.424 7.633 1.00 0.00 O ATOM 790 CB ASN A 56 9.036 -4.482 8.992 1.00 0.00 C ATOM 791 CG ASN A 56 9.686 -3.436 9.905 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.983 -3.436 10.057 1.00 0.00 O flip ATOM 793 ND2 ASN A 56 9.007 -2.611 10.483 1.00 0.00 N flip ATOM 0 H ASN A 56 11.216 -3.229 7.695 1.00 0.00 H new ATOM 0 HA ASN A 56 8.819 -4.842 6.846 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.965 -4.532 9.188 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.446 -5.469 9.207 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.994 -2.611 10.364 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.450 -1.919 11.087 1.00 0.00 H new ATOM 800 N THR A 57 9.342 -1.983 6.364 1.00 0.00 N ATOM 801 CA THR A 57 8.784 -0.661 5.951 1.00 0.00 C ATOM 802 C THR A 57 9.365 -0.243 4.597 1.00 0.00 C ATOM 803 O THR A 57 10.531 0.084 4.487 1.00 0.00 O ATOM 804 CB THR A 57 9.222 0.316 7.045 1.00 0.00 C ATOM 805 OG1 THR A 57 10.575 0.055 7.394 1.00 0.00 O ATOM 806 CG2 THR A 57 8.332 0.139 8.276 1.00 0.00 C ATOM 0 H THR A 57 10.250 -2.213 5.961 1.00 0.00 H new ATOM 0 HA THR A 57 7.700 -0.688 5.839 1.00 0.00 H new ATOM 0 HB THR A 57 9.131 1.339 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.104 -0.075 6.579 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.645 0.835 9.054 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.295 0.338 8.007 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.421 -0.883 8.646 1.00 0.00 H new ATOM 814 N ASN A 58 8.552 -0.236 3.571 1.00 0.00 N ATOM 815 CA ASN A 58 9.042 0.180 2.222 1.00 0.00 C ATOM 816 C ASN A 58 8.185 1.325 1.677 1.00 0.00 C ATOM 817 O ASN A 58 7.323 1.846 2.360 1.00 0.00 O ATOM 818 CB ASN A 58 8.893 -1.065 1.346 1.00 0.00 C ATOM 819 CG ASN A 58 10.219 -1.827 1.311 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.713 -2.303 2.421 1.00 0.00 O flip ATOM 821 ND2 ASN A 58 10.811 -1.992 0.263 1.00 0.00 N flip ATOM 0 H ASN A 58 7.568 -0.501 3.610 1.00 0.00 H new ATOM 0 HA ASN A 58 10.071 0.539 2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.103 -1.706 1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.599 -0.779 0.336 1.00 0.00 H new ATOM 0 HD21 ASN A 58 10.425 -1.620 -0.605 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.694 -2.503 0.251 1.00 0.00 H new ATOM 828 N ASN A 59 8.418 1.720 0.452 1.00 0.00 N ATOM 829 CA ASN A 59 7.622 2.833 -0.148 1.00 0.00 C ATOM 830 C ASN A 59 7.059 2.409 -1.508 1.00 0.00 C ATOM 831 O ASN A 59 7.753 1.826 -2.321 1.00 0.00 O ATOM 832 CB ASN A 59 8.613 3.985 -0.313 1.00 0.00 C ATOM 833 CG ASN A 59 9.138 4.408 1.060 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.705 3.610 1.779 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.973 5.641 1.457 1.00 0.00 N ATOM 0 H ASN A 59 9.128 1.318 -0.161 1.00 0.00 H new ATOM 0 HA ASN A 59 6.771 3.113 0.473 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.441 3.678 -0.952 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.128 4.828 -0.804 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.320 5.933 2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.497 6.312 0.854 1.00 0.00 H new ATOM 842 N PHE A 60 5.812 2.712 -1.764 1.00 0.00 N ATOM 843 CA PHE A 60 5.200 2.346 -3.076 1.00 0.00 C ATOM 844 C PHE A 60 4.403 3.526 -3.637 1.00 0.00 C ATOM 845 O PHE A 60 3.937 4.376 -2.901 1.00 0.00 O ATOM 846 CB PHE A 60 4.271 1.173 -2.767 1.00 0.00 C ATOM 847 CG PHE A 60 5.084 0.000 -2.273 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.470 -0.068 -0.928 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.453 -1.019 -3.159 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.225 -1.155 -0.471 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.208 -2.105 -2.701 1.00 0.00 C ATOM 852 CZ PHE A 60 6.593 -2.173 -1.357 1.00 0.00 C ATOM 0 H PHE A 60 5.190 3.199 -1.119 1.00 0.00 H new ATOM 0 HA PHE A 60 5.951 2.087 -3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.539 1.464 -2.014 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.714 0.892 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.185 0.718 -0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.155 -0.967 -4.196 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.523 -1.207 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.494 -2.891 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.174 -3.012 -1.004 1.00 0.00 H new ATOM 862 N ALA A 61 4.222 3.568 -4.932 1.00 0.00 N ATOM 863 CA ALA A 61 3.426 4.672 -5.549 1.00 0.00 C ATOM 864 C ALA A 61 1.929 4.371 -5.436 1.00 0.00 C ATOM 865 O ALA A 61 1.514 3.228 -5.469 1.00 0.00 O ATOM 866 CB ALA A 61 3.857 4.701 -7.015 1.00 0.00 C ATOM 0 H ALA A 61 4.592 2.883 -5.591 1.00 0.00 H new ATOM 0 HA ALA A 61 3.596 5.629 -5.056 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.315 5.489 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.928 4.896 -7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.636 3.739 -7.478 1.00 0.00 H new ATOM 872 N GLU A 62 1.117 5.393 -5.331 1.00 0.00 N ATOM 873 CA GLU A 62 -0.362 5.177 -5.247 1.00 0.00 C ATOM 874 C GLU A 62 -0.867 4.469 -6.510 1.00 0.00 C ATOM 875 O GLU A 62 -1.793 3.681 -6.457 1.00 0.00 O ATOM 876 CB GLU A 62 -0.975 6.578 -5.125 1.00 0.00 C ATOM 877 CG GLU A 62 -0.592 7.429 -6.342 1.00 0.00 C ATOM 878 CD GLU A 62 -0.399 8.884 -5.909 1.00 0.00 C ATOM 879 OE1 GLU A 62 -1.154 9.335 -5.063 1.00 0.00 O ATOM 880 OE2 GLU A 62 0.501 9.522 -6.430 1.00 0.00 O ATOM 0 H GLU A 62 1.414 6.368 -5.300 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.636 4.547 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.060 6.503 -5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.625 7.058 -4.211 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.325 7.048 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.370 7.365 -7.103 1.00 0.00 H new ATOM 887 N ASP A 63 -0.205 4.675 -7.619 1.00 0.00 N ATOM 888 CA ASP A 63 -0.574 3.937 -8.866 1.00 0.00 C ATOM 889 C ASP A 63 -0.232 2.448 -8.730 1.00 0.00 C ATOM 890 O ASP A 63 -0.811 1.608 -9.392 1.00 0.00 O ATOM 891 CB ASP A 63 0.253 4.584 -9.985 1.00 0.00 C ATOM 892 CG ASP A 63 1.748 4.469 -9.667 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.290 3.391 -9.844 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.323 5.461 -9.251 1.00 0.00 O ATOM 0 H ASP A 63 0.577 5.323 -7.716 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.643 3.996 -9.071 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.037 4.097 -10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.024 5.633 -10.093 1.00 0.00 H new ATOM 899 N GLU A 64 0.713 2.119 -7.883 1.00 0.00 N ATOM 900 CA GLU A 64 1.106 0.687 -7.708 1.00 0.00 C ATOM 901 C GLU A 64 0.380 0.079 -6.504 1.00 0.00 C ATOM 902 O GLU A 64 0.861 -0.855 -5.889 1.00 0.00 O ATOM 903 CB GLU A 64 2.614 0.721 -7.462 1.00 0.00 C ATOM 904 CG GLU A 64 3.353 0.787 -8.801 1.00 0.00 C ATOM 905 CD GLU A 64 4.594 1.674 -8.661 1.00 0.00 C ATOM 906 OE1 GLU A 64 5.182 1.672 -7.592 1.00 0.00 O ATOM 907 OE2 GLU A 64 4.933 2.340 -9.626 1.00 0.00 O ATOM 0 H GLU A 64 1.229 2.782 -7.305 1.00 0.00 H new ATOM 0 HA GLU A 64 0.845 0.079 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.873 1.585 -6.850 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.922 -0.166 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.644 -0.215 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.694 1.186 -9.572 1.00 0.00 H new ATOM 914 N LEU A 65 -0.784 0.584 -6.183 1.00 0.00 N ATOM 915 CA LEU A 65 -1.562 0.019 -5.039 1.00 0.00 C ATOM 916 C LEU A 65 -3.047 -0.069 -5.400 1.00 0.00 C ATOM 917 O LEU A 65 -3.660 0.911 -5.780 1.00 0.00 O ATOM 918 CB LEU A 65 -1.347 1.004 -3.889 1.00 0.00 C ATOM 919 CG LEU A 65 0.100 0.914 -3.401 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.355 2.001 -2.357 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.341 -0.461 -2.773 1.00 0.00 C ATOM 0 H LEU A 65 -1.230 1.365 -6.665 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.239 -0.989 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.567 2.019 -4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.032 0.779 -3.071 1.00 0.00 H new ATOM 0 HG LEU A 65 0.777 1.054 -4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.386 1.937 -2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.183 2.981 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.322 1.862 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.372 -0.526 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.336 -0.600 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.159 -1.237 -3.516 1.00 0.00 H new ATOM 933 N VAL A 66 -3.642 -1.221 -5.220 1.00 0.00 N ATOM 934 CA VAL A 66 -5.107 -1.363 -5.479 1.00 0.00 C ATOM 935 C VAL A 66 -5.871 -1.398 -4.151 1.00 0.00 C ATOM 936 O VAL A 66 -5.409 -1.959 -3.175 1.00 0.00 O ATOM 937 CB VAL A 66 -5.255 -2.694 -6.226 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.731 -2.939 -6.554 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.452 -2.643 -7.529 1.00 0.00 C ATOM 0 H VAL A 66 -3.175 -2.071 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.510 -0.531 -6.057 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.882 -3.502 -5.596 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.834 -3.885 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.308 -2.977 -5.630 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.104 -2.129 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.558 -3.590 -8.059 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.826 -1.833 -8.155 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.400 -2.470 -7.302 1.00 0.00 H new ATOM 949 N GLU A 67 -7.048 -0.827 -4.118 1.00 0.00 N ATOM 950 CA GLU A 67 -7.863 -0.849 -2.867 1.00 0.00 C ATOM 951 C GLU A 67 -8.572 -2.198 -2.722 1.00 0.00 C ATOM 952 O GLU A 67 -9.296 -2.626 -3.602 1.00 0.00 O ATOM 953 CB GLU A 67 -8.885 0.277 -3.037 1.00 0.00 C ATOM 954 CG GLU A 67 -8.359 1.550 -2.369 1.00 0.00 C ATOM 955 CD GLU A 67 -8.821 2.773 -3.164 1.00 0.00 C ATOM 956 OE1 GLU A 67 -10.010 3.046 -3.155 1.00 0.00 O ATOM 957 OE2 GLU A 67 -7.978 3.414 -3.770 1.00 0.00 O ATOM 0 H GLU A 67 -7.480 -0.345 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.252 -0.713 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.069 0.459 -4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.838 -0.012 -2.593 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.722 1.612 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.270 1.525 -2.321 1.00 0.00 H new ATOM 964 N VAL A 68 -8.379 -2.862 -1.611 1.00 0.00 N ATOM 965 CA VAL A 68 -9.051 -4.180 -1.392 1.00 0.00 C ATOM 966 C VAL A 68 -9.667 -4.246 0.012 1.00 0.00 C ATOM 967 O VAL A 68 -10.766 -4.736 0.191 1.00 0.00 O ATOM 968 CB VAL A 68 -7.948 -5.233 -1.555 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.377 -5.155 -2.972 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.824 -4.979 -0.544 1.00 0.00 C ATOM 0 H VAL A 68 -7.784 -2.548 -0.844 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.867 -4.341 -2.096 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.372 -6.222 -1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.593 -5.903 -3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.170 -5.344 -3.695 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.960 -4.162 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.046 -5.732 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.401 -3.989 -0.712 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.225 -5.035 0.468 1.00 0.00 H new