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 Set 1.1: A 56 ASN : amide:sc= -4.59! C(o=-4.6!,f=-5.2!) USER MOD Set 1.2: A 57 THR OG1 : rot 180:sc= 0.00153 USER MOD Set 2.1: A 16 TYR OH : rot 180:sc= -0.566 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 138:sc= 0.835 (180deg=0) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -172:sc= 0.0852 (180deg=-0.121) USER MOD Set 3.2: A 23 THR OG1 : rot 160:sc= 0.0319 USER MOD Single : A 15 SER OG : rot 151:sc= 0.676 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.427 USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= -0.129 (180deg=-0.786) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.49! C(o=-3.5!,f=-12!) 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 58 ASN : amide:sc= -5.68! K(o=-5.7!,f=-1.7) USER MOD Single : A 59 ASN : amide:sc= -3.23 K(o=-3.2,f=-7.2!) USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 7 -5.987 -0.711 3.472 1.00 0.00 N ATOM 96 CA LYS A 7 -5.360 -1.979 2.995 1.00 0.00 C ATOM 97 C LYS A 7 -5.415 -2.054 1.466 1.00 0.00 C ATOM 98 O LYS A 7 -6.465 -2.251 0.884 1.00 0.00 O ATOM 99 CB LYS A 7 -6.200 -3.096 3.616 1.00 0.00 C ATOM 100 CG LYS A 7 -6.060 -3.053 5.139 1.00 0.00 C ATOM 101 CD LYS A 7 -4.808 -3.824 5.559 1.00 0.00 C ATOM 102 CE LYS A 7 -5.001 -4.379 6.973 1.00 0.00 C ATOM 103 NZ LYS A 7 -4.936 -3.189 7.865 1.00 0.00 N ATOM 0 HA LYS A 7 -4.310 -2.052 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.246 -2.979 3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.874 -4.065 3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.995 -2.020 5.480 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.942 -3.488 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.618 -4.638 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.937 -3.169 5.530 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.958 -4.892 7.069 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.225 -5.102 7.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.924 -3.499 8.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.071 -2.649 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.768 -2.586 7.701 1.00 0.00 H new ATOM 117 N VAL A 8 -4.285 -1.930 0.817 1.00 0.00 N ATOM 118 CA VAL A 8 -4.255 -2.029 -0.673 1.00 0.00 C ATOM 119 C VAL A 8 -3.358 -3.192 -1.111 1.00 0.00 C ATOM 120 O VAL A 8 -2.450 -3.584 -0.403 1.00 0.00 O ATOM 121 CB VAL A 8 -3.685 -0.690 -1.158 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.613 0.445 -0.721 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.293 -0.465 -0.555 1.00 0.00 C ATOM 0 H VAL A 8 -3.380 -1.764 1.257 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.244 -2.219 -1.091 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.608 -0.707 -2.245 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.210 1.398 -1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.602 0.293 -1.153 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.689 0.454 0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.895 0.488 -0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.365 -0.451 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.628 -1.271 -0.864 1.00 0.00 H new ATOM 133 N ARG A 9 -3.586 -3.717 -2.288 1.00 0.00 N ATOM 134 CA ARG A 9 -2.727 -4.827 -2.799 1.00 0.00 C ATOM 135 C ARG A 9 -1.427 -4.264 -3.380 1.00 0.00 C ATOM 136 O ARG A 9 -1.428 -3.253 -4.057 1.00 0.00 O ATOM 137 CB ARG A 9 -3.555 -5.501 -3.893 1.00 0.00 C ATOM 138 CG ARG A 9 -4.402 -6.618 -3.279 1.00 0.00 C ATOM 139 CD ARG A 9 -3.539 -7.867 -3.085 1.00 0.00 C ATOM 140 NE ARG A 9 -4.422 -9.010 -3.469 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.427 -9.390 -2.705 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.724 -8.756 -1.594 1.00 0.00 N ATOM 143 NH2 ARG A 9 -6.143 -10.421 -3.060 1.00 0.00 N ATOM 0 H ARG A 9 -4.332 -3.424 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.447 -5.527 -2.012 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.199 -4.768 -4.380 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.898 -5.909 -4.661 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.811 -6.294 -2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.248 -6.845 -3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.646 -7.831 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.202 -7.958 -2.052 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.243 -9.507 -4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -5.172 -7.949 -1.304 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.507 -9.071 -1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.923 -10.923 -3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.923 -10.725 -2.478 1.00 0.00 H new ATOM 157 N ILE A 10 -0.326 -4.934 -3.151 1.00 0.00 N ATOM 158 CA ILE A 10 0.974 -4.468 -3.722 1.00 0.00 C ATOM 159 C ILE A 10 1.158 -5.031 -5.135 1.00 0.00 C ATOM 160 O ILE A 10 1.066 -6.224 -5.352 1.00 0.00 O ATOM 161 CB ILE A 10 2.048 -5.019 -2.775 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.814 -4.491 -1.349 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.437 -4.588 -3.260 1.00 0.00 C ATOM 164 CD1 ILE A 10 1.869 -2.957 -1.328 1.00 0.00 C ATOM 0 H ILE A 10 -0.271 -5.785 -2.592 1.00 0.00 H new ATOM 0 HA ILE A 10 1.026 -3.382 -3.803 1.00 0.00 H new ATOM 0 HB ILE A 10 1.988 -6.107 -2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.845 -4.831 -0.983 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.569 -4.897 -0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.197 -4.982 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.608 -4.976 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.495 -3.500 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.701 -2.601 -0.312 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.848 -2.623 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.097 -2.556 -1.985 1.00 0.00 H new ATOM 176 N LEU A 11 1.426 -4.178 -6.091 1.00 0.00 N ATOM 177 CA LEU A 11 1.630 -4.655 -7.492 1.00 0.00 C ATOM 178 C LEU A 11 3.085 -4.445 -7.916 1.00 0.00 C ATOM 179 O LEU A 11 3.368 -4.099 -9.047 1.00 0.00 O ATOM 180 CB LEU A 11 0.692 -3.791 -8.346 1.00 0.00 C ATOM 181 CG LEU A 11 -0.725 -4.388 -8.367 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.691 -5.790 -8.981 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.279 -4.469 -6.939 1.00 0.00 C ATOM 0 H LEU A 11 1.512 -3.170 -5.961 1.00 0.00 H new ATOM 0 HA LEU A 11 1.418 -5.719 -7.601 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.659 -2.777 -7.947 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.078 -3.721 -9.363 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.369 -3.746 -8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.698 -6.207 -8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.311 -5.731 -10.001 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.040 -6.432 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.283 -4.893 -6.962 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.631 -5.102 -6.333 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.317 -3.469 -6.506 1.00 0.00 H new ATOM 195 N ARG A 12 4.011 -4.684 -7.021 1.00 0.00 N ATOM 196 CA ARG A 12 5.455 -4.539 -7.374 1.00 0.00 C ATOM 197 C ARG A 12 6.156 -5.906 -7.320 1.00 0.00 C ATOM 198 O ARG A 12 6.668 -6.290 -6.287 1.00 0.00 O ATOM 199 CB ARG A 12 6.029 -3.600 -6.311 1.00 0.00 C ATOM 200 CG ARG A 12 7.069 -2.678 -6.951 1.00 0.00 C ATOM 201 CD ARG A 12 7.680 -1.772 -5.878 1.00 0.00 C ATOM 202 NE ARG A 12 8.962 -2.438 -5.490 1.00 0.00 N ATOM 203 CZ ARG A 12 9.937 -1.768 -4.910 1.00 0.00 C ATOM 204 NH1 ARG A 12 9.813 -0.496 -4.607 1.00 0.00 N ATOM 205 NH2 ARG A 12 11.053 -2.383 -4.630 1.00 0.00 N ATOM 0 H ARG A 12 3.828 -4.974 -6.060 1.00 0.00 H new ATOM 0 HA ARG A 12 5.597 -4.150 -8.382 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.230 -3.009 -5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.486 -4.179 -5.508 1.00 0.00 H new ATOM 0 HG2 ARG A 12 7.849 -3.270 -7.429 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.604 -2.074 -7.730 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.858 -0.768 -6.264 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.014 -1.670 -5.022 1.00 0.00 H new ATOM 0 HE ARG A 12 9.084 -3.433 -5.679 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.946 -0.003 -4.821 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.584 -0.001 -4.158 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.163 -3.371 -4.860 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.816 -1.876 -4.181 1.00 0.00 H new ATOM 219 N PRO A 13 6.160 -6.608 -8.438 1.00 0.00 N ATOM 220 CA PRO A 13 6.812 -7.948 -8.495 1.00 0.00 C ATOM 221 C PRO A 13 8.259 -7.879 -7.988 1.00 0.00 C ATOM 222 O PRO A 13 8.792 -8.845 -7.474 1.00 0.00 O ATOM 223 CB PRO A 13 6.783 -8.300 -9.981 1.00 0.00 C ATOM 224 CG PRO A 13 5.647 -7.508 -10.541 1.00 0.00 C ATOM 225 CD PRO A 13 5.568 -6.239 -9.736 1.00 0.00 C ATOM 0 HA PRO A 13 6.309 -8.686 -7.870 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.723 -8.040 -10.467 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.631 -9.369 -10.131 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.811 -7.288 -11.596 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.714 -8.068 -10.474 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.120 -5.429 -10.212 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.538 -5.900 -9.624 1.00 0.00 H new ATOM 233 N GLU A 14 8.880 -6.731 -8.095 1.00 0.00 N ATOM 234 CA GLU A 14 10.276 -6.577 -7.583 1.00 0.00 C ATOM 235 C GLU A 14 10.276 -6.525 -6.053 1.00 0.00 C ATOM 236 O GLU A 14 11.245 -6.890 -5.413 1.00 0.00 O ATOM 237 CB GLU A 14 10.773 -5.252 -8.164 1.00 0.00 C ATOM 238 CG GLU A 14 12.302 -5.258 -8.214 1.00 0.00 C ATOM 239 CD GLU A 14 12.768 -5.833 -9.553 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.823 -7.046 -9.667 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.060 -5.051 -10.443 1.00 0.00 O ATOM 0 H GLU A 14 8.480 -5.892 -8.516 1.00 0.00 H new ATOM 0 HA GLU A 14 10.914 -7.412 -7.873 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.366 -5.106 -9.165 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.422 -4.420 -7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.684 -4.245 -8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.701 -5.853 -7.392 1.00 0.00 H new ATOM 248 N SER A 15 9.199 -6.069 -5.463 1.00 0.00 N ATOM 249 CA SER A 15 9.133 -5.986 -3.972 1.00 0.00 C ATOM 250 C SER A 15 8.924 -7.379 -3.373 1.00 0.00 C ATOM 251 O SER A 15 8.155 -8.173 -3.882 1.00 0.00 O ATOM 252 CB SER A 15 7.932 -5.089 -3.673 1.00 0.00 C ATOM 253 OG SER A 15 7.747 -5.005 -2.266 1.00 0.00 O ATOM 0 H SER A 15 8.362 -5.750 -5.951 1.00 0.00 H new ATOM 0 HA SER A 15 10.053 -5.589 -3.542 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.093 -4.095 -4.090 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.036 -5.492 -4.146 1.00 0.00 H new ATOM 0 HG SER A 15 7.334 -4.145 -2.041 1.00 0.00 H new ATOM 259 N TYR A 16 9.543 -7.648 -2.251 1.00 0.00 N ATOM 260 CA TYR A 16 9.318 -8.955 -1.558 1.00 0.00 C ATOM 261 C TYR A 16 7.840 -9.110 -1.181 1.00 0.00 C ATOM 262 O TYR A 16 7.354 -10.210 -0.991 1.00 0.00 O ATOM 263 CB TYR A 16 10.190 -8.900 -0.300 1.00 0.00 C ATOM 264 CG TYR A 16 10.097 -10.214 0.440 1.00 0.00 C ATOM 265 CD1 TYR A 16 8.974 -10.495 1.228 1.00 0.00 C ATOM 266 CD2 TYR A 16 11.133 -11.150 0.340 1.00 0.00 C ATOM 267 CE1 TYR A 16 8.887 -11.712 1.913 1.00 0.00 C ATOM 268 CE2 TYR A 16 11.046 -12.367 1.027 1.00 0.00 C ATOM 269 CZ TYR A 16 9.923 -12.648 1.814 1.00 0.00 C ATOM 270 OH TYR A 16 9.837 -13.848 2.490 1.00 0.00 O ATOM 0 H TYR A 16 10.196 -7.018 -1.784 1.00 0.00 H new ATOM 0 HA TYR A 16 9.575 -9.804 -2.192 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.226 -8.697 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.864 -8.084 0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.175 -9.772 1.307 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.000 -10.933 -0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.020 -11.929 2.519 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.845 -13.089 0.950 1.00 0.00 H new ATOM 0 HH TYR A 16 10.639 -14.382 2.312 1.00 0.00 H new ATOM 280 N TRP A 17 7.149 -8.014 -0.987 1.00 0.00 N ATOM 281 CA TRP A 17 5.730 -8.091 -0.523 1.00 0.00 C ATOM 282 C TRP A 17 4.776 -7.992 -1.717 1.00 0.00 C ATOM 283 O TRP A 17 3.690 -7.454 -1.609 1.00 0.00 O ATOM 284 CB TRP A 17 5.550 -6.889 0.407 1.00 0.00 C ATOM 285 CG TRP A 17 6.470 -7.018 1.579 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.304 -7.884 2.606 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.690 -6.275 1.861 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.347 -7.719 3.501 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.227 -6.739 3.086 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.377 -5.254 1.180 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.404 -6.208 3.616 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.562 -4.718 1.710 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.074 -5.194 2.926 1.00 0.00 C ATOM 0 H TRP A 17 7.507 -7.069 -1.130 1.00 0.00 H new ATOM 0 HA TRP A 17 5.512 -9.033 -0.019 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.759 -5.965 -0.132 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.516 -6.832 0.748 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.491 -8.588 2.710 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.453 -8.256 4.362 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.991 -4.880 0.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.794 -6.578 4.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.082 -3.935 1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 17 10.985 -4.777 3.329 1.00 0.00 H new ATOM 304 N PHE A 18 5.154 -8.554 -2.837 1.00 0.00 N ATOM 305 CA PHE A 18 4.247 -8.549 -4.026 1.00 0.00 C ATOM 306 C PHE A 18 3.009 -9.406 -3.751 1.00 0.00 C ATOM 307 O PHE A 18 3.038 -10.309 -2.937 1.00 0.00 O ATOM 308 CB PHE A 18 5.071 -9.150 -5.167 1.00 0.00 C ATOM 309 CG PHE A 18 4.278 -9.090 -6.449 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.815 -7.858 -6.928 1.00 0.00 C ATOM 311 CD2 PHE A 18 4.004 -10.265 -7.160 1.00 0.00 C ATOM 312 CE1 PHE A 18 3.079 -7.802 -8.119 1.00 0.00 C ATOM 313 CE2 PHE A 18 3.269 -10.208 -8.350 1.00 0.00 C ATOM 314 CZ PHE A 18 2.806 -8.977 -8.828 1.00 0.00 C ATOM 0 H PHE A 18 6.052 -9.016 -2.980 1.00 0.00 H new ATOM 0 HA PHE A 18 3.894 -7.546 -4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.007 -8.603 -5.280 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.331 -10.183 -4.936 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.025 -6.952 -6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.360 -11.215 -6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.723 -6.852 -8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 18 3.059 -11.114 -8.899 1.00 0.00 H new ATOM 0 HZ PHE A 18 2.237 -8.934 -9.745 1.00 0.00 H new ATOM 324 N GLN A 19 1.921 -9.135 -4.433 1.00 0.00 N ATOM 325 CA GLN A 19 0.666 -9.934 -4.233 1.00 0.00 C ATOM 326 C GLN A 19 0.281 -9.981 -2.748 1.00 0.00 C ATOM 327 O GLN A 19 -0.372 -10.903 -2.298 1.00 0.00 O ATOM 328 CB GLN A 19 0.991 -11.340 -4.748 1.00 0.00 C ATOM 329 CG GLN A 19 -0.280 -11.988 -5.299 1.00 0.00 C ATOM 330 CD GLN A 19 0.069 -13.331 -5.943 1.00 0.00 C ATOM 331 OE1 GLN A 19 -0.274 -14.375 -5.425 1.00 0.00 O ATOM 332 NE2 GLN A 19 0.742 -13.348 -7.061 1.00 0.00 N ATOM 0 H GLN A 19 1.847 -8.389 -5.125 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.179 -9.493 -4.761 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.752 -11.287 -5.527 1.00 0.00 H new ATOM 0 HB3 GLN A 19 1.402 -11.948 -3.942 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.003 -12.135 -4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -0.747 -11.331 -6.033 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.030 -12.472 -7.496 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.980 -14.238 -7.500 1.00 0.00 H new ATOM 341 N ASP A 20 0.667 -8.982 -1.996 1.00 0.00 N ATOM 342 CA ASP A 20 0.309 -8.948 -0.546 1.00 0.00 C ATOM 343 C ASP A 20 -0.552 -7.718 -0.243 1.00 0.00 C ATOM 344 O ASP A 20 -0.763 -6.875 -1.094 1.00 0.00 O ATOM 345 CB ASP A 20 1.647 -8.859 0.190 1.00 0.00 C ATOM 346 CG ASP A 20 1.584 -9.695 1.470 1.00 0.00 C ATOM 347 OD1 ASP A 20 1.682 -10.906 1.368 1.00 0.00 O ATOM 348 OD2 ASP A 20 1.437 -9.110 2.530 1.00 0.00 O ATOM 0 H ASP A 20 1.216 -8.187 -2.324 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.267 -9.822 -0.242 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.451 -9.218 -0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.872 -7.820 0.432 1.00 0.00 H new ATOM 353 N VAL A 21 -1.009 -7.590 0.976 1.00 0.00 N ATOM 354 CA VAL A 21 -1.811 -6.390 1.361 1.00 0.00 C ATOM 355 C VAL A 21 -1.084 -5.602 2.456 1.00 0.00 C ATOM 356 O VAL A 21 -1.026 -6.019 3.597 1.00 0.00 O ATOM 357 CB VAL A 21 -3.140 -6.947 1.885 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.055 -5.792 2.303 1.00 0.00 C ATOM 359 CG2 VAL A 21 -3.828 -7.758 0.784 1.00 0.00 C ATOM 0 H VAL A 21 -0.861 -8.267 1.724 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.962 -5.707 0.525 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.944 -7.588 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.999 -6.192 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.572 -5.211 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.247 -5.150 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.772 -8.153 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.019 -7.116 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.183 -8.584 0.484 1.00 0.00 H new ATOM 369 N GLY A 22 -0.536 -4.464 2.113 1.00 0.00 N ATOM 370 CA GLY A 22 0.180 -3.636 3.127 1.00 0.00 C ATOM 371 C GLY A 22 -0.704 -2.460 3.547 1.00 0.00 C ATOM 372 O GLY A 22 -1.598 -2.058 2.825 1.00 0.00 O ATOM 0 H GLY A 22 -0.554 -4.073 1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.431 -4.244 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.119 -3.268 2.714 1.00 0.00 H new ATOM 376 N THR A 23 -0.437 -1.887 4.693 1.00 0.00 N ATOM 377 CA THR A 23 -1.232 -0.707 5.149 1.00 0.00 C ATOM 378 C THR A 23 -0.442 0.584 4.918 1.00 0.00 C ATOM 379 O THR A 23 0.759 0.628 5.107 1.00 0.00 O ATOM 380 CB THR A 23 -1.459 -0.938 6.644 1.00 0.00 C ATOM 381 OG1 THR A 23 -2.050 -2.215 6.839 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.386 0.146 7.195 1.00 0.00 C ATOM 0 H THR A 23 0.298 -2.186 5.333 1.00 0.00 H new ATOM 0 HA THR A 23 -2.171 -0.605 4.605 1.00 0.00 H new ATOM 0 HB THR A 23 -0.504 -0.895 7.168 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.907 -2.504 7.764 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.547 -0.020 8.260 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.931 1.125 7.045 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.342 0.107 6.673 1.00 0.00 H new ATOM 390 N VAL A 24 -1.115 1.640 4.539 1.00 0.00 N ATOM 391 CA VAL A 24 -0.417 2.944 4.326 1.00 0.00 C ATOM 392 C VAL A 24 -0.176 3.636 5.672 1.00 0.00 C ATOM 393 O VAL A 24 -1.104 3.929 6.402 1.00 0.00 O ATOM 394 CB VAL A 24 -1.366 3.771 3.452 1.00 0.00 C ATOM 395 CG1 VAL A 24 -0.741 5.138 3.161 1.00 0.00 C ATOM 396 CG2 VAL A 24 -1.616 3.041 2.130 1.00 0.00 C ATOM 0 H VAL A 24 -2.120 1.656 4.367 1.00 0.00 H new ATOM 0 HA VAL A 24 0.557 2.820 3.854 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.310 3.906 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.419 5.723 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.564 5.664 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.205 5.001 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.291 3.631 1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.670 2.903 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.065 2.068 2.331 1.00 0.00 H new ATOM 406 N ALA A 25 1.060 3.936 5.981 1.00 0.00 N ATOM 407 CA ALA A 25 1.368 4.655 7.253 1.00 0.00 C ATOM 408 C ALA A 25 1.168 6.162 7.072 1.00 0.00 C ATOM 409 O ALA A 25 0.464 6.798 7.833 1.00 0.00 O ATOM 410 CB ALA A 25 2.835 4.339 7.541 1.00 0.00 C ATOM 0 H ALA A 25 1.871 3.713 5.405 1.00 0.00 H new ATOM 0 HA ALA A 25 0.716 4.345 8.070 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.139 4.833 8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.961 3.262 7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.453 4.697 6.717 1.00 0.00 H new ATOM 416 N SER A 26 1.761 6.727 6.051 1.00 0.00 N ATOM 417 CA SER A 26 1.586 8.188 5.791 1.00 0.00 C ATOM 418 C SER A 26 2.120 8.544 4.401 1.00 0.00 C ATOM 419 O SER A 26 2.671 7.710 3.707 1.00 0.00 O ATOM 420 CB SER A 26 2.408 8.884 6.874 1.00 0.00 C ATOM 421 OG SER A 26 2.465 10.278 6.597 1.00 0.00 O ATOM 0 H SER A 26 2.360 6.239 5.385 1.00 0.00 H new ATOM 0 HA SER A 26 0.539 8.490 5.817 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.960 8.714 7.853 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.414 8.467 6.908 1.00 0.00 H new ATOM 0 HG SER A 26 2.990 10.728 7.291 1.00 0.00 H new ATOM 427 N VAL A 27 1.997 9.787 4.011 1.00 0.00 N ATOM 428 CA VAL A 27 2.538 10.221 2.687 1.00 0.00 C ATOM 429 C VAL A 27 3.624 11.283 2.889 1.00 0.00 C ATOM 430 O VAL A 27 3.611 12.018 3.860 1.00 0.00 O ATOM 431 CB VAL A 27 1.337 10.806 1.935 1.00 0.00 C ATOM 432 CG1 VAL A 27 1.781 11.300 0.554 1.00 0.00 C ATOM 433 CG2 VAL A 27 0.263 9.728 1.762 1.00 0.00 C ATOM 0 H VAL A 27 1.544 10.522 4.554 1.00 0.00 H new ATOM 0 HA VAL A 27 2.995 9.400 2.135 1.00 0.00 H new ATOM 0 HB VAL A 27 0.931 11.640 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.924 11.715 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.543 12.070 0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.192 10.467 -0.016 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.590 10.146 1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.674 8.893 1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.060 9.376 2.742 1.00 0.00 H new ATOM 509 N LYS A 33 10.525 8.897 -4.285 1.00 0.00 N ATOM 510 CA LYS A 33 10.175 8.032 -5.452 1.00 0.00 C ATOM 511 C LYS A 33 8.787 7.406 -5.261 1.00 0.00 C ATOM 512 O LYS A 33 8.128 7.043 -6.218 1.00 0.00 O ATOM 513 CB LYS A 33 11.263 6.950 -5.503 1.00 0.00 C ATOM 514 CG LYS A 33 11.279 6.150 -4.196 1.00 0.00 C ATOM 515 CD LYS A 33 11.993 4.816 -4.425 1.00 0.00 C ATOM 516 CE LYS A 33 13.501 5.055 -4.537 1.00 0.00 C ATOM 517 NZ LYS A 33 13.775 5.096 -6.001 1.00 0.00 N ATOM 0 HA LYS A 33 10.134 8.601 -6.381 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.081 6.281 -6.344 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.237 7.411 -5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.786 6.717 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.260 5.975 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.783 4.133 -3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.621 4.344 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 33 13.790 5.989 -4.055 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.064 4.258 -4.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.352 4.273 -6.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.876 5.074 -6.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.289 5.970 -6.234 1.00 0.00 H new ATOM 531 N TYR A 34 8.341 7.278 -4.035 1.00 0.00 N ATOM 532 CA TYR A 34 6.999 6.676 -3.781 1.00 0.00 C ATOM 533 C TYR A 34 6.228 7.515 -2.746 1.00 0.00 C ATOM 534 O TYR A 34 6.452 7.376 -1.560 1.00 0.00 O ATOM 535 CB TYR A 34 7.290 5.280 -3.228 1.00 0.00 C ATOM 536 CG TYR A 34 7.684 4.356 -4.359 1.00 0.00 C ATOM 537 CD1 TYR A 34 6.860 4.231 -5.485 1.00 0.00 C ATOM 538 CD2 TYR A 34 8.874 3.623 -4.279 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.227 3.374 -6.529 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.240 2.766 -5.323 1.00 0.00 C ATOM 541 CZ TYR A 34 8.417 2.641 -6.449 1.00 0.00 C ATOM 542 OH TYR A 34 8.778 1.796 -7.478 1.00 0.00 O ATOM 0 H TYR A 34 8.851 7.565 -3.200 1.00 0.00 H new ATOM 0 HA TYR A 34 6.386 6.639 -4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.091 5.330 -2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.410 4.890 -2.717 1.00 0.00 H new ATOM 0 HD1 TYR A 34 5.942 4.796 -5.548 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.510 3.719 -3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.592 3.278 -7.397 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.158 2.201 -5.260 1.00 0.00 H new ATOM 0 HH TYR A 34 9.631 1.365 -7.263 1.00 0.00 H new ATOM 552 N PRO A 35 5.340 8.368 -3.223 1.00 0.00 N ATOM 553 CA PRO A 35 4.541 9.229 -2.303 1.00 0.00 C ATOM 554 C PRO A 35 3.845 8.391 -1.222 1.00 0.00 C ATOM 555 O PRO A 35 3.653 8.841 -0.108 1.00 0.00 O ATOM 556 CB PRO A 35 3.509 9.879 -3.223 1.00 0.00 C ATOM 557 CG PRO A 35 4.133 9.850 -4.580 1.00 0.00 C ATOM 558 CD PRO A 35 4.995 8.619 -4.633 1.00 0.00 C ATOM 0 HA PRO A 35 5.157 9.953 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.567 9.331 -3.209 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.289 10.900 -2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.369 9.821 -5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.728 10.747 -4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.461 7.775 -5.070 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.886 8.781 -5.240 1.00 0.00 H new ATOM 566 N VAL A 36 3.391 7.213 -1.571 1.00 0.00 N ATOM 567 CA VAL A 36 2.617 6.385 -0.596 1.00 0.00 C ATOM 568 C VAL A 36 3.561 5.437 0.149 1.00 0.00 C ATOM 569 O VAL A 36 4.237 4.622 -0.450 1.00 0.00 O ATOM 570 CB VAL A 36 1.613 5.594 -1.444 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.733 4.731 -0.534 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.722 6.564 -2.228 1.00 0.00 C ATOM 0 H VAL A 36 3.523 6.789 -2.489 1.00 0.00 H new ATOM 0 HA VAL A 36 2.115 6.993 0.156 1.00 0.00 H new ATOM 0 HB VAL A 36 2.160 4.955 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.021 4.171 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.359 4.036 0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.191 5.371 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.010 5.999 -2.829 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.181 7.205 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.341 7.179 -2.881 1.00 0.00 H new ATOM 582 N ILE A 37 3.573 5.508 1.456 1.00 0.00 N ATOM 583 CA ILE A 37 4.429 4.579 2.255 1.00 0.00 C ATOM 584 C ILE A 37 3.586 3.411 2.777 1.00 0.00 C ATOM 585 O ILE A 37 2.574 3.606 3.425 1.00 0.00 O ATOM 586 CB ILE A 37 4.962 5.427 3.417 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.785 6.597 2.863 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.852 4.566 4.320 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.576 7.831 3.743 1.00 0.00 C ATOM 0 H ILE A 37 3.026 6.171 2.005 1.00 0.00 H new ATOM 0 HA ILE A 37 5.239 4.149 1.666 1.00 0.00 H new ATOM 0 HB ILE A 37 4.122 5.811 3.995 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.842 6.331 2.836 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.485 6.813 1.838 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.229 5.172 5.144 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.271 3.734 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.691 4.179 3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.161 8.662 3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.520 8.100 3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.898 7.611 4.761 1.00 0.00 H new ATOM 601 N VAL A 38 3.991 2.200 2.489 1.00 0.00 N ATOM 602 CA VAL A 38 3.214 1.011 2.955 1.00 0.00 C ATOM 603 C VAL A 38 3.981 0.288 4.067 1.00 0.00 C ATOM 604 O VAL A 38 5.177 0.453 4.217 1.00 0.00 O ATOM 605 CB VAL A 38 3.074 0.115 1.720 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.277 -1.142 2.082 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.338 0.876 0.613 1.00 0.00 C ATOM 0 H VAL A 38 4.829 1.983 1.950 1.00 0.00 H new ATOM 0 HA VAL A 38 2.242 1.284 3.365 1.00 0.00 H new ATOM 0 HB VAL A 38 4.067 -0.170 1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.179 -1.777 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.798 -1.689 2.868 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.286 -0.856 2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.240 0.237 -0.264 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.347 1.163 0.966 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.903 1.770 0.349 1.00 0.00 H new ATOM 617 N ARG A 39 3.307 -0.551 4.814 1.00 0.00 N ATOM 618 CA ARG A 39 3.996 -1.334 5.882 1.00 0.00 C ATOM 619 C ARG A 39 3.672 -2.824 5.738 1.00 0.00 C ATOM 620 O ARG A 39 2.607 -3.192 5.277 1.00 0.00 O ATOM 621 CB ARG A 39 3.440 -0.788 7.196 1.00 0.00 C ATOM 622 CG ARG A 39 4.173 -1.436 8.371 1.00 0.00 C ATOM 623 CD ARG A 39 3.394 -2.665 8.848 1.00 0.00 C ATOM 624 NE ARG A 39 2.570 -2.181 9.999 1.00 0.00 N ATOM 625 CZ ARG A 39 1.493 -2.831 10.395 1.00 0.00 C ATOM 626 NH1 ARG A 39 1.119 -3.954 9.827 1.00 0.00 N ATOM 627 NH2 ARG A 39 0.782 -2.346 11.376 1.00 0.00 N ATOM 0 H ARG A 39 2.306 -0.727 4.729 1.00 0.00 H new ATOM 0 HA ARG A 39 5.081 -1.239 5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.560 0.295 7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.371 -0.992 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.180 -1.726 8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.278 -0.720 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.765 -3.066 8.053 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.068 -3.465 9.154 1.00 0.00 H new ATOM 0 HE ARG A 39 2.847 -1.330 10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.666 -4.344 9.060 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.282 -4.436 10.153 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.062 -1.475 11.826 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -0.053 -2.838 11.692 1.00 0.00 H new ATOM 641 N PHE A 40 4.580 -3.679 6.132 1.00 0.00 N ATOM 642 CA PHE A 40 4.331 -5.148 6.027 1.00 0.00 C ATOM 643 C PHE A 40 4.604 -5.829 7.370 1.00 0.00 C ATOM 644 O PHE A 40 5.235 -5.264 8.244 1.00 0.00 O ATOM 645 CB PHE A 40 5.317 -5.641 4.967 1.00 0.00 C ATOM 646 CG PHE A 40 4.999 -4.994 3.641 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.770 -5.242 3.018 1.00 0.00 C ATOM 648 CD2 PHE A 40 5.933 -4.147 3.033 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.475 -4.642 1.787 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.639 -3.548 1.803 1.00 0.00 C ATOM 651 CZ PHE A 40 4.410 -3.795 1.179 1.00 0.00 C ATOM 0 H PHE A 40 5.486 -3.422 6.523 1.00 0.00 H new ATOM 0 HA PHE A 40 3.298 -5.374 5.761 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.338 -5.401 5.265 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.258 -6.726 4.877 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.049 -5.896 3.486 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.881 -3.956 3.514 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.527 -4.833 1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.360 -2.895 1.335 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.183 -3.333 0.230 1.00 0.00 H new ATOM 661 N GLU A 41 4.200 -7.066 7.508 1.00 0.00 N ATOM 662 CA GLU A 41 4.507 -7.826 8.756 1.00 0.00 C ATOM 663 C GLU A 41 5.559 -8.903 8.474 1.00 0.00 C ATOM 664 O GLU A 41 6.354 -9.244 9.330 1.00 0.00 O ATOM 665 CB GLU A 41 3.180 -8.467 9.167 1.00 0.00 C ATOM 666 CG GLU A 41 2.198 -7.377 9.597 1.00 0.00 C ATOM 667 CD GLU A 41 0.768 -7.910 9.497 1.00 0.00 C ATOM 668 OE1 GLU A 41 0.462 -8.863 10.192 1.00 0.00 O ATOM 669 OE2 GLU A 41 0.002 -7.353 8.726 1.00 0.00 O ATOM 0 H GLU A 41 3.669 -7.583 6.807 1.00 0.00 H new ATOM 0 HA GLU A 41 4.910 -7.186 9.541 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.766 -9.036 8.335 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.341 -9.169 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.410 -7.064 10.619 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.315 -6.497 8.964 1.00 0.00 H new ATOM 676 N LYS A 42 5.596 -9.405 7.266 1.00 0.00 N ATOM 677 CA LYS A 42 6.626 -10.423 6.903 1.00 0.00 C ATOM 678 C LYS A 42 7.954 -9.736 6.574 1.00 0.00 C ATOM 679 O LYS A 42 8.015 -8.857 5.735 1.00 0.00 O ATOM 680 CB LYS A 42 6.068 -11.128 5.666 1.00 0.00 C ATOM 681 CG LYS A 42 6.556 -12.579 5.640 1.00 0.00 C ATOM 682 CD LYS A 42 8.055 -12.608 5.335 1.00 0.00 C ATOM 683 CE LYS A 42 8.472 -14.033 4.965 1.00 0.00 C ATOM 684 NZ LYS A 42 9.958 -14.040 5.083 1.00 0.00 N ATOM 0 H LYS A 42 4.955 -9.153 6.514 1.00 0.00 H new ATOM 0 HA LYS A 42 6.821 -11.121 7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.978 -11.100 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.389 -10.609 4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.360 -13.057 6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.009 -13.144 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.284 -11.926 4.516 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.620 -12.266 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.019 -14.764 5.635 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.155 -14.288 3.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.266 -14.921 5.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.382 -13.977 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.265 -13.227 5.654 1.00 0.00 H new ATOM 698 N VAL A 43 9.028 -10.188 7.171 1.00 0.00 N ATOM 699 CA VAL A 43 10.372 -9.627 6.832 1.00 0.00 C ATOM 700 C VAL A 43 10.750 -9.991 5.392 1.00 0.00 C ATOM 701 O VAL A 43 9.919 -10.426 4.617 1.00 0.00 O ATOM 702 CB VAL A 43 11.349 -10.264 7.829 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.958 -9.857 9.252 1.00 0.00 C ATOM 704 CG2 VAL A 43 11.300 -11.793 7.711 1.00 0.00 C ATOM 0 H VAL A 43 9.032 -10.922 7.879 1.00 0.00 H new ATOM 0 HA VAL A 43 10.388 -8.539 6.899 1.00 0.00 H new ATOM 0 HB VAL A 43 12.359 -9.919 7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.650 -10.308 9.963 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.999 -8.772 9.344 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.946 -10.201 9.464 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.997 -12.235 8.423 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.290 -12.142 7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.578 -12.089 6.699 1.00 0.00 H new ATOM 714 N ASN A 44 12.001 -9.839 5.041 1.00 0.00 N ATOM 715 CA ASN A 44 12.448 -10.201 3.662 1.00 0.00 C ATOM 716 C ASN A 44 13.954 -10.483 3.649 1.00 0.00 C ATOM 717 O ASN A 44 14.545 -10.775 4.672 1.00 0.00 O ATOM 718 CB ASN A 44 12.115 -8.982 2.793 1.00 0.00 C ATOM 719 CG ASN A 44 12.824 -7.736 3.337 1.00 0.00 C ATOM 720 OD1 ASN A 44 12.685 -7.402 4.496 1.00 0.00 O ATOM 721 ND2 ASN A 44 13.582 -7.031 2.543 1.00 0.00 N ATOM 0 H ASN A 44 12.734 -9.479 5.652 1.00 0.00 H new ATOM 0 HA ASN A 44 11.956 -11.101 3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.423 -9.165 1.764 1.00 0.00 H new ATOM 0 HB3 ASN A 44 11.037 -8.819 2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.057 -6.200 2.896 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.700 -7.311 1.569 1.00 0.00 H new ATOM 728 N TYR A 45 14.544 -10.532 2.481 1.00 0.00 N ATOM 729 CA TYR A 45 15.976 -10.953 2.376 1.00 0.00 C ATOM 730 C TYR A 45 16.873 -10.004 3.177 1.00 0.00 C ATOM 731 O TYR A 45 17.954 -10.370 3.599 1.00 0.00 O ATOM 732 CB TYR A 45 16.313 -10.873 0.886 1.00 0.00 C ATOM 733 CG TYR A 45 15.507 -11.904 0.132 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.789 -13.267 0.293 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.479 -11.499 -0.728 1.00 0.00 C ATOM 736 CE1 TYR A 45 15.042 -14.223 -0.407 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.732 -12.455 -1.426 1.00 0.00 C ATOM 738 CZ TYR A 45 14.014 -13.817 -1.265 1.00 0.00 C ATOM 739 OH TYR A 45 13.278 -14.760 -1.954 1.00 0.00 O ATOM 0 H TYR A 45 14.096 -10.299 1.595 1.00 0.00 H new ATOM 0 HA TYR A 45 16.135 -11.954 2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.094 -9.875 0.506 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.378 -11.046 0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 45 16.582 -13.580 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.262 -10.448 -0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 45 15.260 -15.274 -0.284 1.00 0.00 H new ATOM 0 HE2 TYR A 45 12.938 -12.142 -2.088 1.00 0.00 H new ATOM 0 HH TYR A 45 12.603 -14.310 -2.504 1.00 0.00 H new ATOM 749 N SER A 46 16.461 -8.771 3.329 1.00 0.00 N ATOM 750 CA SER A 46 17.319 -7.770 4.030 1.00 0.00 C ATOM 751 C SER A 46 16.940 -7.685 5.512 1.00 0.00 C ATOM 752 O SER A 46 17.735 -7.285 6.340 1.00 0.00 O ATOM 753 CB SER A 46 17.034 -6.442 3.329 1.00 0.00 C ATOM 754 OG SER A 46 17.940 -6.279 2.246 1.00 0.00 O ATOM 0 H SER A 46 15.565 -8.414 2.997 1.00 0.00 H new ATOM 0 HA SER A 46 18.375 -8.036 3.989 1.00 0.00 H new ATOM 0 HB2 SER A 46 16.007 -6.423 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.138 -5.616 4.033 1.00 0.00 H new ATOM 0 HG SER A 46 17.759 -5.429 1.793 1.00 0.00 H new ATOM 760 N GLY A 47 15.705 -7.980 5.835 1.00 0.00 N ATOM 761 CA GLY A 47 15.238 -7.828 7.245 1.00 0.00 C ATOM 762 C GLY A 47 14.505 -6.495 7.399 1.00 0.00 C ATOM 763 O GLY A 47 14.506 -5.895 8.457 1.00 0.00 O ATOM 0 H GLY A 47 15.000 -8.320 5.181 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.576 -8.652 7.511 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.087 -7.869 7.927 1.00 0.00 H new ATOM 767 N ILE A 55 13.869 -6.036 6.351 1.00 0.00 N ATOM 768 CA ILE A 55 13.118 -4.746 6.425 1.00 0.00 C ATOM 769 C ILE A 55 11.667 -5.010 6.842 1.00 0.00 C ATOM 770 O ILE A 55 11.182 -6.122 6.758 1.00 0.00 O ATOM 771 CB ILE A 55 13.179 -4.167 5.007 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.640 -3.941 4.605 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.433 -2.831 4.961 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.729 -3.758 3.089 1.00 0.00 C ATOM 0 H ILE A 55 13.838 -6.501 5.444 1.00 0.00 H new ATOM 0 HA ILE A 55 13.540 -4.059 7.159 1.00 0.00 H new ATOM 0 HB ILE A 55 12.713 -4.869 4.316 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.036 -3.061 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.249 -4.789 4.916 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.479 -2.423 3.951 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.391 -2.986 5.243 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.897 -2.131 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.768 -3.597 2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.349 -4.651 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.133 -2.896 2.791 1.00 0.00 H new ATOM 786 N ASN A 56 10.970 -3.989 7.270 1.00 0.00 N ATOM 787 CA ASN A 56 9.540 -4.166 7.670 1.00 0.00 C ATOM 788 C ASN A 56 8.642 -3.192 6.896 1.00 0.00 C ATOM 789 O ASN A 56 7.544 -3.534 6.497 1.00 0.00 O ATOM 790 CB ASN A 56 9.501 -3.865 9.173 1.00 0.00 C ATOM 791 CG ASN A 56 10.010 -2.445 9.439 1.00 0.00 C ATOM 792 OD1 ASN A 56 11.177 -2.160 9.251 1.00 0.00 O ATOM 793 ND2 ASN A 56 9.179 -1.536 9.872 1.00 0.00 N ATOM 0 H ASN A 56 11.329 -3.039 7.360 1.00 0.00 H new ATOM 0 HA ASN A 56 9.175 -5.169 7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.482 -3.970 9.547 1.00 0.00 H new ATOM 0 HB3 ASN A 56 10.115 -4.587 9.712 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.509 -0.588 10.052 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.200 -1.774 10.030 1.00 0.00 H new ATOM 800 N THR A 57 9.093 -1.977 6.704 1.00 0.00 N ATOM 801 CA THR A 57 8.261 -0.969 5.982 1.00 0.00 C ATOM 802 C THR A 57 8.982 -0.494 4.717 1.00 0.00 C ATOM 803 O THR A 57 10.190 -0.341 4.703 1.00 0.00 O ATOM 804 CB THR A 57 8.093 0.186 6.969 1.00 0.00 C ATOM 805 OG1 THR A 57 9.364 0.553 7.487 1.00 0.00 O ATOM 806 CG2 THR A 57 7.179 -0.249 8.116 1.00 0.00 C ATOM 0 H THR A 57 10.003 -1.640 7.017 1.00 0.00 H new ATOM 0 HA THR A 57 7.301 -1.377 5.665 1.00 0.00 H new ATOM 0 HB THR A 57 7.648 1.040 6.457 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.258 1.295 8.119 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.060 0.575 8.819 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.204 -0.530 7.718 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.621 -1.103 8.630 1.00 0.00 H new ATOM 814 N ASN A 58 8.241 -0.199 3.678 1.00 0.00 N ATOM 815 CA ASN A 58 8.868 0.338 2.433 1.00 0.00 C ATOM 816 C ASN A 58 7.996 1.450 1.843 1.00 0.00 C ATOM 817 O ASN A 58 7.031 1.880 2.447 1.00 0.00 O ATOM 818 CB ASN A 58 8.937 -0.854 1.478 1.00 0.00 C ATOM 819 CG ASN A 58 10.336 -1.473 1.528 1.00 0.00 C ATOM 820 OD1 ASN A 58 11.107 -1.335 0.600 1.00 0.00 O ATOM 821 ND2 ASN A 58 10.696 -2.153 2.582 1.00 0.00 N ATOM 0 H ASN A 58 7.228 -0.307 3.639 1.00 0.00 H new ATOM 0 HA ASN A 58 9.852 0.769 2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.189 -1.598 1.754 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.707 -0.533 0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.626 -2.569 2.627 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.047 -2.268 3.361 1.00 0.00 H new ATOM 828 N ASN A 59 8.334 1.921 0.668 1.00 0.00 N ATOM 829 CA ASN A 59 7.533 3.010 0.034 1.00 0.00 C ATOM 830 C ASN A 59 7.066 2.580 -1.360 1.00 0.00 C ATOM 831 O ASN A 59 7.835 2.066 -2.150 1.00 0.00 O ATOM 832 CB ASN A 59 8.491 4.199 -0.065 1.00 0.00 C ATOM 833 CG ASN A 59 8.930 4.623 1.338 1.00 0.00 C ATOM 834 OD1 ASN A 59 9.377 3.806 2.119 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.821 5.873 1.693 1.00 0.00 N ATOM 0 H ASN A 59 9.132 1.597 0.121 1.00 0.00 H new ATOM 0 HA ASN A 59 6.639 3.253 0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.361 3.929 -0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.002 5.031 -0.571 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.111 6.165 2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.446 6.558 1.037 1.00 0.00 H new ATOM 842 N PHE A 60 5.809 2.790 -1.663 1.00 0.00 N ATOM 843 CA PHE A 60 5.281 2.399 -3.004 1.00 0.00 C ATOM 844 C PHE A 60 4.492 3.556 -3.621 1.00 0.00 C ATOM 845 O PHE A 60 4.188 4.533 -2.960 1.00 0.00 O ATOM 846 CB PHE A 60 4.361 1.207 -2.737 1.00 0.00 C ATOM 847 CG PHE A 60 5.166 0.064 -2.168 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.525 0.066 -0.815 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.553 -0.999 -2.993 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.271 -0.995 -0.287 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.300 -2.059 -2.465 1.00 0.00 C ATOM 852 CZ PHE A 60 6.658 -2.057 -1.111 1.00 0.00 C ATOM 0 H PHE A 60 5.125 3.216 -1.037 1.00 0.00 H new ATOM 0 HA PHE A 60 6.079 2.150 -3.704 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.573 1.492 -2.040 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.873 0.897 -3.661 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.227 0.886 -0.178 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.275 -1.001 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.548 -0.993 0.757 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.600 -2.878 -3.102 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.233 -2.875 -0.703 1.00 0.00 H new ATOM 862 N ALA A 61 4.146 3.445 -4.879 1.00 0.00 N ATOM 863 CA ALA A 61 3.358 4.527 -5.543 1.00 0.00 C ATOM 864 C ALA A 61 1.859 4.235 -5.430 1.00 0.00 C ATOM 865 O ALA A 61 1.441 3.091 -5.414 1.00 0.00 O ATOM 866 CB ALA A 61 3.802 4.497 -7.005 1.00 0.00 C ATOM 0 H ALA A 61 4.376 2.650 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 61 3.526 5.502 -5.086 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.267 5.265 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.874 4.686 -7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.582 3.519 -7.432 1.00 0.00 H new ATOM 872 N GLU A 62 1.051 5.261 -5.355 1.00 0.00 N ATOM 873 CA GLU A 62 -0.427 5.051 -5.245 1.00 0.00 C ATOM 874 C GLU A 62 -0.952 4.310 -6.479 1.00 0.00 C ATOM 875 O GLU A 62 -1.912 3.566 -6.403 1.00 0.00 O ATOM 876 CB GLU A 62 -1.035 6.458 -5.156 1.00 0.00 C ATOM 877 CG GLU A 62 -0.665 7.274 -6.400 1.00 0.00 C ATOM 878 CD GLU A 62 -1.786 7.163 -7.435 1.00 0.00 C ATOM 879 OE1 GLU A 62 -2.939 7.193 -7.036 1.00 0.00 O ATOM 880 OE2 GLU A 62 -1.474 7.051 -8.609 1.00 0.00 O ATOM 0 H GLU A 62 1.349 6.236 -5.365 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.690 4.445 -4.378 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.119 6.389 -5.067 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.673 6.963 -4.260 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.507 8.318 -6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.271 6.909 -6.822 1.00 0.00 H new ATOM 887 N ASP A 63 -0.311 4.489 -7.606 1.00 0.00 N ATOM 888 CA ASP A 63 -0.749 3.773 -8.845 1.00 0.00 C ATOM 889 C ASP A 63 -0.403 2.280 -8.756 1.00 0.00 C ATOM 890 O ASP A 63 -1.022 1.456 -9.403 1.00 0.00 O ATOM 891 CB ASP A 63 0.017 4.441 -9.995 1.00 0.00 C ATOM 892 CG ASP A 63 1.526 4.321 -9.760 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.058 5.137 -9.026 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.123 3.416 -10.319 1.00 0.00 O ATOM 0 H ASP A 63 0.497 5.100 -7.723 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.828 3.835 -8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.250 3.972 -10.942 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.265 5.491 -10.069 1.00 0.00 H new ATOM 899 N GLU A 64 0.563 1.927 -7.943 1.00 0.00 N ATOM 900 CA GLU A 64 0.930 0.486 -7.790 1.00 0.00 C ATOM 901 C GLU A 64 0.227 -0.118 -6.570 1.00 0.00 C ATOM 902 O GLU A 64 0.698 -1.077 -5.987 1.00 0.00 O ATOM 903 CB GLU A 64 2.446 0.483 -7.589 1.00 0.00 C ATOM 904 CG GLU A 64 3.143 0.673 -8.937 1.00 0.00 C ATOM 905 CD GLU A 64 4.546 1.241 -8.712 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.708 2.022 -7.789 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.435 0.883 -9.467 1.00 0.00 O ATOM 0 H GLU A 64 1.113 2.575 -7.379 1.00 0.00 H new ATOM 0 HA GLU A 64 0.630 -0.108 -8.653 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.734 1.281 -6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.761 -0.456 -7.135 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.205 -0.279 -9.463 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.563 1.348 -9.566 1.00 0.00 H new ATOM 914 N LEU A 65 -0.912 0.414 -6.204 1.00 0.00 N ATOM 915 CA LEU A 65 -1.670 -0.151 -5.047 1.00 0.00 C ATOM 916 C LEU A 65 -3.169 -0.182 -5.363 1.00 0.00 C ATOM 917 O LEU A 65 -3.792 0.845 -5.555 1.00 0.00 O ATOM 918 CB LEU A 65 -1.387 0.800 -3.884 1.00 0.00 C ATOM 919 CG LEU A 65 0.072 0.655 -3.446 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.391 1.706 -2.382 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.292 -0.743 -2.864 1.00 0.00 C ATOM 0 H LEU A 65 -1.350 1.216 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.372 -1.174 -4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.586 1.828 -4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.052 0.578 -3.049 1.00 0.00 H new ATOM 0 HG LEU A 65 0.726 0.798 -4.306 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.430 1.603 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.233 2.702 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.263 1.563 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.331 -0.848 -2.552 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.362 -0.886 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.064 -1.493 -3.622 1.00 0.00 H new ATOM 933 N VAL A 66 -3.759 -1.350 -5.360 1.00 0.00 N ATOM 934 CA VAL A 66 -5.231 -1.453 -5.596 1.00 0.00 C ATOM 935 C VAL A 66 -5.976 -1.465 -4.257 1.00 0.00 C ATOM 936 O VAL A 66 -5.511 -2.032 -3.285 1.00 0.00 O ATOM 937 CB VAL A 66 -5.427 -2.781 -6.338 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.913 -2.986 -6.643 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.642 -2.755 -7.652 1.00 0.00 C ATOM 0 H VAL A 66 -3.284 -2.239 -5.204 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.619 -0.611 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.067 -3.598 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.049 -3.930 -7.170 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.476 -3.007 -5.710 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.273 -2.167 -7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.782 -3.699 -8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.002 -1.936 -8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.582 -2.612 -7.440 1.00 0.00 H new ATOM 949 N GLU A 67 -7.134 -0.858 -4.207 1.00 0.00 N ATOM 950 CA GLU A 67 -7.926 -0.845 -2.940 1.00 0.00 C ATOM 951 C GLU A 67 -8.713 -2.150 -2.795 1.00 0.00 C ATOM 952 O GLU A 67 -9.677 -2.383 -3.499 1.00 0.00 O ATOM 953 CB GLU A 67 -8.877 0.343 -3.079 1.00 0.00 C ATOM 954 CG GLU A 67 -8.258 1.576 -2.417 1.00 0.00 C ATOM 955 CD GLU A 67 -7.433 2.349 -3.448 1.00 0.00 C ATOM 956 OE1 GLU A 67 -7.894 2.474 -4.572 1.00 0.00 O ATOM 957 OE2 GLU A 67 -6.356 2.803 -3.098 1.00 0.00 O ATOM 0 H GLU A 67 -7.566 -0.369 -4.991 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.292 -0.757 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.073 0.543 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.835 0.111 -2.615 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.041 2.215 -2.010 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.626 1.275 -1.582 1.00 0.00 H new ATOM 964 N VAL A 68 -8.324 -2.987 -1.867 1.00 0.00 N ATOM 965 CA VAL A 68 -9.063 -4.266 -1.644 1.00 0.00 C ATOM 966 C VAL A 68 -9.748 -4.253 -0.274 1.00 0.00 C ATOM 967 O VAL A 68 -9.851 -5.269 0.387 1.00 0.00 O ATOM 968 CB VAL A 68 -7.996 -5.366 -1.710 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.349 -5.365 -3.095 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.920 -5.117 -0.647 1.00 0.00 C ATOM 0 H VAL A 68 -7.524 -2.839 -1.252 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.847 -4.422 -2.385 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.467 -6.331 -1.524 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.591 -6.146 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.110 -5.551 -3.852 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.884 -4.396 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.166 -5.903 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.449 -4.150 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.378 -5.121 0.342 1.00 0.00 H new