USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 613 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 89 HIS : no HD1:sc= -0.641 K(o=-0.64,f=-1.3) USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc=-0.000478 USER MOD Single : A 22 CYS SG : rot 56:sc= 0.26 USER MOD Single : A 23 SER OG : rot -59:sc= 0.00569 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.259 F(o=-0.92,f=-0.26) USER MOD Single : A 29 ASN : amide:sc= 1.02 K(o=1,f=-0.0047) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot -92:sc= -0.228 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HE2:sc= 0.649 K(o=0.65,f=-2.2!) USER MOD Single : A 44 HIS : no HE2:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 63 SER OG : rot 180:sc= -0.008 USER MOD Single : A 68 LYS NZ :NH3+ -116:sc= 0.582 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= -0.566 (180deg=-0.566) USER MOD Single : A 72 LYS NZ :NH3+ 167:sc=-0.00854 (180deg=-0.163) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 1.74 (180deg=1.48) USER MOD Single : A 77 SER OG : rot 44:sc= 1.53 USER MOD Single : A 78 MET CE :methyl 157:sc= -1.35 (180deg=-2.96!) USER MOD Single : A 80 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.011) USER MOD Single : A 82 TYR OH : rot -59:sc= 0.982 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= -0.0806 USER MOD Single : A 93 MET CE :methyl -157:sc= -0.0712 (180deg=-0.53) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc= 1.2 (180deg=0.98) USER MOD ----------------------------------------------------------------- ATOM 126 N PHE A 11 -11.778 -4.362 1.434 1.00 0.00 N ATOM 127 CA PHE A 11 -12.123 -3.166 0.680 1.00 0.00 C ATOM 128 C PHE A 11 -10.944 -2.207 0.776 1.00 0.00 C ATOM 129 O PHE A 11 -11.094 -1.004 0.593 1.00 0.00 O ATOM 130 CB PHE A 11 -13.409 -2.489 1.157 1.00 0.00 C ATOM 131 CG PHE A 11 -14.663 -3.319 1.385 1.00 0.00 C ATOM 132 CD1 PHE A 11 -14.688 -4.718 1.261 1.00 0.00 C ATOM 133 CD2 PHE A 11 -15.839 -2.641 1.738 1.00 0.00 C ATOM 134 CE1 PHE A 11 -15.865 -5.427 1.532 1.00 0.00 C ATOM 135 CE2 PHE A 11 -17.023 -3.349 1.988 1.00 0.00 C ATOM 136 CZ PHE A 11 -17.036 -4.745 1.890 1.00 0.00 C ATOM 0 HA PHE A 11 -12.320 -3.456 -0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.180 -1.982 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -13.659 -1.717 0.429 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.798 -5.248 0.956 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.832 -1.564 1.818 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.870 -6.505 1.465 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -17.924 -2.818 2.256 1.00 0.00 H new ATOM 0 HZ PHE A 11 -17.944 -5.294 2.089 1.00 0.00 H new ATOM 146 N VAL A 12 -9.762 -2.757 1.068 1.00 0.00 N ATOM 147 CA VAL A 12 -8.530 -2.005 1.210 1.00 0.00 C ATOM 148 C VAL A 12 -7.401 -2.878 0.691 1.00 0.00 C ATOM 149 O VAL A 12 -7.465 -4.103 0.802 1.00 0.00 O ATOM 150 CB VAL A 12 -8.267 -1.692 2.688 1.00 0.00 C ATOM 151 CG1 VAL A 12 -7.132 -0.678 2.838 1.00 0.00 C ATOM 152 CG2 VAL A 12 -9.506 -1.134 3.379 1.00 0.00 C ATOM 0 H VAL A 12 -9.641 -3.759 1.214 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.599 -1.068 0.658 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.990 -2.635 3.159 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.965 -0.473 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.221 -1.084 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.400 0.247 2.327 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.277 -0.926 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.815 -0.213 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.314 -1.864 3.323 1.00 0.00 H new ATOM 162 N VAL A 13 -6.367 -2.255 0.128 1.00 0.00 N ATOM 163 CA VAL A 13 -5.190 -2.992 -0.306 1.00 0.00 C ATOM 164 C VAL A 13 -3.918 -2.206 -0.029 1.00 0.00 C ATOM 165 O VAL A 13 -3.931 -0.979 0.050 1.00 0.00 O ATOM 166 CB VAL A 13 -5.268 -3.336 -1.798 1.00 0.00 C ATOM 167 CG1 VAL A 13 -6.392 -4.333 -2.072 1.00 0.00 C ATOM 168 CG2 VAL A 13 -5.477 -2.091 -2.662 1.00 0.00 C ATOM 0 H VAL A 13 -6.323 -1.249 -0.036 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.163 -3.919 0.266 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.311 -3.785 -2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.425 -4.560 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.210 -5.250 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -7.344 -3.902 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.526 -2.381 -3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.408 -1.602 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.645 -1.402 -2.515 1.00 0.00 H new ATOM 178 N LYS A 14 -2.815 -2.941 0.117 1.00 0.00 N ATOM 179 CA LYS A 14 -1.489 -2.367 0.257 1.00 0.00 C ATOM 180 C LYS A 14 -0.961 -2.046 -1.136 1.00 0.00 C ATOM 181 O LYS A 14 -1.402 -2.646 -2.115 1.00 0.00 O ATOM 182 CB LYS A 14 -0.556 -3.370 0.945 1.00 0.00 C ATOM 183 CG LYS A 14 -1.255 -4.092 2.102 1.00 0.00 C ATOM 184 CD LYS A 14 -0.243 -4.909 2.904 1.00 0.00 C ATOM 185 CE LYS A 14 -0.985 -5.803 3.896 1.00 0.00 C ATOM 186 NZ LYS A 14 -0.046 -6.561 4.745 1.00 0.00 N ATOM 0 H LYS A 14 -2.824 -3.961 0.141 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.534 -1.462 0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.208 -4.102 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.325 -2.849 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.743 -3.365 2.752 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.035 -4.747 1.713 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.364 -5.517 2.233 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.438 -4.244 3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.634 -5.192 4.524 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.628 -6.496 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.581 -7.158 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.556 -7.162 4.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.550 -5.898 5.281 1.00 0.00 H new ATOM 200 N LEU A 15 -0.022 -1.106 -1.230 1.00 0.00 N ATOM 201 CA LEU A 15 0.599 -0.727 -2.483 1.00 0.00 C ATOM 202 C LEU A 15 2.071 -0.451 -2.214 1.00 0.00 C ATOM 203 O LEU A 15 2.406 0.244 -1.256 1.00 0.00 O ATOM 204 CB LEU A 15 -0.113 0.533 -2.970 1.00 0.00 C ATOM 205 CG LEU A 15 -0.132 0.706 -4.488 1.00 0.00 C ATOM 206 CD1 LEU A 15 1.243 0.561 -5.133 1.00 0.00 C ATOM 207 CD2 LEU A 15 -1.077 -0.311 -5.122 1.00 0.00 C ATOM 0 H LEU A 15 0.328 -0.585 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 15 0.523 -1.507 -3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.140 0.518 -2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.370 1.403 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.475 1.725 -4.669 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.155 0.696 -6.211 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.917 1.315 -4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.641 -0.432 -4.923 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.082 -0.178 -6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.740 -1.320 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.085 -0.163 -4.733 1.00 0.00 H new ATOM 219 N ARG A 16 2.952 -0.992 -3.057 1.00 0.00 N ATOM 220 CA ARG A 16 4.385 -0.795 -2.906 1.00 0.00 C ATOM 221 C ARG A 16 5.084 -0.941 -4.249 1.00 0.00 C ATOM 222 O ARG A 16 4.588 -1.628 -5.140 1.00 0.00 O ATOM 223 CB ARG A 16 4.937 -1.802 -1.894 1.00 0.00 C ATOM 224 CG ARG A 16 4.742 -3.254 -2.321 1.00 0.00 C ATOM 225 CD ARG A 16 5.314 -4.173 -1.243 1.00 0.00 C ATOM 226 NE ARG A 16 4.633 -3.992 0.047 1.00 0.00 N ATOM 227 CZ ARG A 16 4.543 -4.945 0.979 1.00 0.00 C ATOM 228 NH1 ARG A 16 5.071 -6.145 0.760 1.00 0.00 N ATOM 229 NH2 ARG A 16 3.926 -4.702 2.131 1.00 0.00 N ATOM 0 H ARG A 16 2.691 -1.572 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 16 4.572 0.213 -2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.000 -1.613 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.449 -1.645 -0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.683 -3.463 -2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.240 -3.436 -3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.218 -5.211 -1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.379 -3.973 -1.123 1.00 0.00 H new ATOM 0 HE ARG A 16 4.205 -3.087 0.242 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.546 -6.340 -0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.001 -6.871 1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.518 -3.784 2.307 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.860 -5.434 2.839 1.00 0.00 H new ATOM 243 N GLY A 17 6.239 -0.291 -4.392 1.00 0.00 N ATOM 244 CA GLY A 17 7.020 -0.390 -5.614 1.00 0.00 C ATOM 245 C GLY A 17 7.665 0.934 -6.000 1.00 0.00 C ATOM 246 O GLY A 17 7.620 1.897 -5.237 1.00 0.00 O ATOM 0 H GLY A 17 6.650 0.307 -3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.796 -1.145 -5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.377 -0.728 -6.427 1.00 0.00 H new ATOM 250 N LEU A 18 8.260 0.951 -7.198 1.00 0.00 N ATOM 251 CA LEU A 18 8.951 2.101 -7.777 1.00 0.00 C ATOM 252 C LEU A 18 10.139 2.599 -6.938 1.00 0.00 C ATOM 253 O LEU A 18 10.236 2.271 -5.758 1.00 0.00 O ATOM 254 CB LEU A 18 7.937 3.224 -8.037 1.00 0.00 C ATOM 255 CG LEU A 18 6.776 2.774 -8.927 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.985 4.000 -9.381 1.00 0.00 C ATOM 257 CD2 LEU A 18 7.304 2.031 -10.152 1.00 0.00 C ATOM 0 H LEU A 18 8.272 0.135 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 18 9.391 1.774 -8.719 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.543 3.581 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.445 4.066 -8.507 1.00 0.00 H new ATOM 0 HG LEU A 18 6.131 2.104 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.157 3.684 -10.015 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.595 4.525 -8.509 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.639 4.667 -9.943 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.467 1.717 -10.776 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.956 2.691 -10.725 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.866 1.154 -9.831 1.00 0.00 H new ATOM 269 N PRO A 19 11.040 3.391 -7.548 1.00 0.00 N ATOM 270 CA PRO A 19 12.173 4.064 -6.917 1.00 0.00 C ATOM 271 C PRO A 19 11.828 4.875 -5.663 1.00 0.00 C ATOM 272 O PRO A 19 11.774 6.103 -5.708 1.00 0.00 O ATOM 273 CB PRO A 19 12.796 4.941 -8.007 1.00 0.00 C ATOM 274 CG PRO A 19 12.427 4.210 -9.290 1.00 0.00 C ATOM 275 CD PRO A 19 11.029 3.694 -8.969 1.00 0.00 C ATOM 0 HA PRO A 19 12.867 3.315 -6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.393 5.953 -7.989 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.876 5.026 -7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.428 4.875 -10.154 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.121 3.399 -9.512 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.272 4.442 -9.204 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.794 2.807 -9.557 1.00 0.00 H new ATOM 283 N TRP A 20 11.596 4.180 -4.546 1.00 0.00 N ATOM 284 CA TRP A 20 11.285 4.750 -3.239 1.00 0.00 C ATOM 285 C TRP A 20 10.121 5.752 -3.217 1.00 0.00 C ATOM 286 O TRP A 20 9.882 6.350 -2.169 1.00 0.00 O ATOM 287 CB TRP A 20 12.528 5.430 -2.653 1.00 0.00 C ATOM 288 CG TRP A 20 13.796 4.646 -2.486 1.00 0.00 C ATOM 289 CD1 TRP A 20 15.030 5.180 -2.618 1.00 0.00 C ATOM 290 CD2 TRP A 20 14.018 3.237 -2.152 1.00 0.00 C ATOM 291 NE1 TRP A 20 15.990 4.227 -2.369 1.00 0.00 N ATOM 292 CE2 TRP A 20 15.423 3.018 -2.034 1.00 0.00 C ATOM 293 CE3 TRP A 20 13.191 2.124 -1.898 1.00 0.00 C ATOM 294 CZ2 TRP A 20 15.965 1.793 -1.634 1.00 0.00 C ATOM 295 CZ3 TRP A 20 13.730 0.896 -1.489 1.00 0.00 C ATOM 296 CH2 TRP A 20 15.108 0.738 -1.343 1.00 0.00 C ATOM 0 H TRP A 20 11.622 3.160 -4.531 1.00 0.00 H new ATOM 0 HA TRP A 20 10.964 3.900 -2.637 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.757 6.289 -3.284 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.254 5.819 -1.672 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.233 6.207 -2.881 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.995 4.395 -2.425 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.122 2.219 -2.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.035 1.668 -1.552 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.072 0.064 -1.285 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.510 -0.205 -1.003 1.00 0.00 H new ATOM 307 N SER A 21 9.386 5.965 -4.316 1.00 0.00 N ATOM 308 CA SER A 21 8.338 6.981 -4.314 1.00 0.00 C ATOM 309 C SER A 21 7.273 6.749 -5.386 1.00 0.00 C ATOM 310 O SER A 21 7.524 6.102 -6.402 1.00 0.00 O ATOM 311 CB SER A 21 8.990 8.347 -4.533 1.00 0.00 C ATOM 312 OG SER A 21 8.028 9.373 -4.404 1.00 0.00 O ATOM 0 H SER A 21 9.496 5.459 -5.195 1.00 0.00 H new ATOM 0 HA SER A 21 7.829 6.929 -3.352 1.00 0.00 H new ATOM 0 HB2 SER A 21 9.791 8.496 -3.809 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.444 8.387 -5.523 1.00 0.00 H new ATOM 0 HG SER A 21 8.457 10.243 -4.544 1.00 0.00 H new ATOM 318 N CYS A 22 6.078 7.295 -5.136 1.00 0.00 N ATOM 319 CA CYS A 22 4.922 7.251 -6.012 1.00 0.00 C ATOM 320 C CYS A 22 3.934 8.348 -5.590 1.00 0.00 C ATOM 321 O CYS A 22 4.199 9.085 -4.641 1.00 0.00 O ATOM 322 CB CYS A 22 4.280 5.870 -5.903 1.00 0.00 C ATOM 323 SG CYS A 22 4.024 5.428 -4.164 1.00 0.00 S ATOM 0 H CYS A 22 5.891 7.803 -4.272 1.00 0.00 H new ATOM 0 HA CYS A 22 5.213 7.425 -7.048 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.326 5.863 -6.431 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.916 5.127 -6.384 1.00 0.00 H new ATOM 0 HG CYS A 22 3.319 6.352 -3.581 1.00 0.00 H new ATOM 329 N SER A 23 2.795 8.465 -6.284 1.00 0.00 N ATOM 330 CA SER A 23 1.776 9.460 -5.959 1.00 0.00 C ATOM 331 C SER A 23 0.375 8.920 -6.227 1.00 0.00 C ATOM 332 O SER A 23 0.219 7.849 -6.812 1.00 0.00 O ATOM 333 CB SER A 23 2.010 10.732 -6.774 1.00 0.00 C ATOM 334 OG SER A 23 1.778 10.481 -8.145 1.00 0.00 O ATOM 0 H SER A 23 2.559 7.874 -7.081 1.00 0.00 H new ATOM 0 HA SER A 23 1.854 9.692 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.348 11.524 -6.424 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.032 11.083 -6.629 1.00 0.00 H new ATOM 0 HG SER A 23 2.382 9.774 -8.455 1.00 0.00 H new ATOM 340 N VAL A 24 -0.652 9.664 -5.798 1.00 0.00 N ATOM 341 CA VAL A 24 -2.034 9.218 -5.937 1.00 0.00 C ATOM 342 C VAL A 24 -2.448 9.105 -7.403 1.00 0.00 C ATOM 343 O VAL A 24 -3.405 8.400 -7.713 1.00 0.00 O ATOM 344 CB VAL A 24 -3.014 10.089 -5.130 1.00 0.00 C ATOM 345 CG1 VAL A 24 -2.319 11.166 -4.301 1.00 0.00 C ATOM 346 CG2 VAL A 24 -4.079 10.779 -5.972 1.00 0.00 C ATOM 0 H VAL A 24 -0.547 10.576 -5.353 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.084 8.216 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 24 -3.495 9.362 -4.475 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -3.065 11.744 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.637 10.696 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.758 11.828 -4.961 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.727 11.371 -5.326 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.600 11.432 -6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.674 10.029 -6.492 1.00 0.00 H new ATOM 356 N GLU A 25 -1.742 9.790 -8.309 1.00 0.00 N ATOM 357 CA GLU A 25 -2.076 9.747 -9.724 1.00 0.00 C ATOM 358 C GLU A 25 -1.512 8.496 -10.390 1.00 0.00 C ATOM 359 O GLU A 25 -2.080 8.022 -11.372 1.00 0.00 O ATOM 360 CB GLU A 25 -1.516 10.986 -10.419 1.00 0.00 C ATOM 361 CG GLU A 25 -2.176 12.258 -9.886 1.00 0.00 C ATOM 362 CD GLU A 25 -1.644 13.491 -10.613 1.00 0.00 C ATOM 363 OE1 GLU A 25 -2.216 13.827 -11.674 1.00 0.00 O ATOM 364 OE2 GLU A 25 -0.670 14.089 -10.104 1.00 0.00 O ATOM 0 H GLU A 25 -0.939 10.377 -8.082 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.162 9.724 -9.815 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.438 11.039 -10.264 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.680 10.910 -11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.257 12.193 -10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.986 12.351 -8.817 1.00 0.00 H new ATOM 371 N ASP A 26 -0.406 7.954 -9.874 1.00 0.00 N ATOM 372 CA ASP A 26 0.180 6.751 -10.444 1.00 0.00 C ATOM 373 C ASP A 26 -0.596 5.522 -9.979 1.00 0.00 C ATOM 374 O ASP A 26 -0.771 4.573 -10.740 1.00 0.00 O ATOM 375 CB ASP A 26 1.642 6.630 -10.009 1.00 0.00 C ATOM 376 CG ASP A 26 2.509 7.766 -10.547 1.00 0.00 C ATOM 377 OD1 ASP A 26 2.235 8.228 -11.679 1.00 0.00 O ATOM 378 OD2 ASP A 26 3.444 8.166 -9.817 1.00 0.00 O ATOM 0 H ASP A 26 0.094 8.330 -9.069 1.00 0.00 H new ATOM 0 HA ASP A 26 0.131 6.815 -11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.694 6.622 -8.920 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.043 5.677 -10.354 1.00 0.00 H new ATOM 383 N VAL A 27 -1.064 5.532 -8.729 1.00 0.00 N ATOM 384 CA VAL A 27 -1.782 4.391 -8.183 1.00 0.00 C ATOM 385 C VAL A 27 -3.175 4.279 -8.800 1.00 0.00 C ATOM 386 O VAL A 27 -3.644 3.171 -9.047 1.00 0.00 O ATOM 387 CB VAL A 27 -1.818 4.506 -6.655 1.00 0.00 C ATOM 388 CG1 VAL A 27 -2.596 5.735 -6.199 1.00 0.00 C ATOM 389 CG2 VAL A 27 -2.440 3.276 -6.013 1.00 0.00 C ATOM 0 H VAL A 27 -0.957 6.315 -8.084 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.263 3.467 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.780 4.596 -6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.598 5.781 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.125 6.633 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.622 5.671 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.447 3.395 -4.930 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.462 3.156 -6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.857 2.394 -6.277 1.00 0.00 H new ATOM 399 N GLN A 28 -3.852 5.403 -9.062 1.00 0.00 N ATOM 400 CA GLN A 28 -5.151 5.349 -9.721 1.00 0.00 C ATOM 401 C GLN A 28 -4.984 4.982 -11.196 1.00 0.00 C ATOM 402 O GLN A 28 -5.908 4.451 -11.811 1.00 0.00 O ATOM 403 CB GLN A 28 -5.892 6.676 -9.542 1.00 0.00 C ATOM 404 CG GLN A 28 -5.165 7.837 -10.219 1.00 0.00 C ATOM 405 CD GLN A 28 -5.814 9.181 -9.902 1.00 0.00 C ATOM 406 OE1 GLN A 28 -6.049 9.471 -8.625 1.00 0.00 O flip ATOM 407 NE2 GLN A 28 -6.106 9.960 -10.806 1.00 0.00 N flip ATOM 0 H GLN A 28 -3.526 6.341 -8.831 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.756 4.570 -9.257 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.897 6.588 -9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.002 6.889 -8.479 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.124 7.852 -9.895 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.161 7.682 -11.298 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.914 9.710 -11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.541 10.856 -10.586 1.00 0.00 H new ATOM 416 N ASN A 29 -3.807 5.260 -11.765 1.00 0.00 N ATOM 417 CA ASN A 29 -3.465 4.829 -13.113 1.00 0.00 C ATOM 418 C ASN A 29 -3.216 3.318 -13.168 1.00 0.00 C ATOM 419 O ASN A 29 -3.337 2.717 -14.234 1.00 0.00 O ATOM 420 CB ASN A 29 -2.225 5.613 -13.563 1.00 0.00 C ATOM 421 CG ASN A 29 -1.189 4.742 -14.259 1.00 0.00 C ATOM 422 OD1 ASN A 29 -1.169 4.633 -15.482 1.00 0.00 O ATOM 423 ND2 ASN A 29 -0.322 4.117 -13.467 1.00 0.00 N ATOM 0 H ASN A 29 -3.069 5.790 -11.300 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.297 5.032 -13.788 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.532 6.412 -14.238 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.768 6.088 -12.695 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.397 3.517 -13.871 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.377 4.237 -12.456 1.00 0.00 H new ATOM 430 N PHE A 30 -2.870 2.697 -12.034 1.00 0.00 N ATOM 431 CA PHE A 30 -2.522 1.282 -12.005 1.00 0.00 C ATOM 432 C PHE A 30 -3.684 0.401 -11.540 1.00 0.00 C ATOM 433 O PHE A 30 -3.743 -0.775 -11.897 1.00 0.00 O ATOM 434 CB PHE A 30 -1.301 1.105 -11.109 1.00 0.00 C ATOM 435 CG PHE A 30 -0.867 -0.332 -10.946 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.042 -0.932 -11.906 1.00 0.00 C ATOM 437 CD2 PHE A 30 -1.296 -1.069 -9.834 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.347 -2.269 -11.756 1.00 0.00 C ATOM 439 CE2 PHE A 30 -0.922 -2.408 -9.692 1.00 0.00 C ATOM 440 CZ PHE A 30 -0.093 -3.008 -10.650 1.00 0.00 C ATOM 0 H PHE A 30 -2.825 3.158 -11.125 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.292 0.957 -13.020 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.472 1.680 -11.522 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.520 1.522 -10.126 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.294 -0.364 -12.761 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.917 -0.601 -9.085 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.987 -2.731 -12.494 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.271 -2.980 -8.845 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.206 -4.039 -10.536 1.00 0.00 H new ATOM 450 N LEU A 31 -4.608 0.956 -10.751 1.00 0.00 N ATOM 451 CA LEU A 31 -5.822 0.260 -10.332 1.00 0.00 C ATOM 452 C LEU A 31 -6.988 0.814 -11.147 1.00 0.00 C ATOM 453 O LEU A 31 -7.998 1.253 -10.599 1.00 0.00 O ATOM 454 CB LEU A 31 -6.068 0.395 -8.819 1.00 0.00 C ATOM 455 CG LEU A 31 -5.063 -0.337 -7.920 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.652 -1.693 -8.482 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.838 0.529 -7.682 1.00 0.00 C ATOM 0 H LEU A 31 -4.532 1.905 -10.385 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.715 -0.808 -10.519 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.058 1.454 -8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.068 0.022 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.564 -0.525 -6.970 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.940 -2.167 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.533 -2.327 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.189 -1.557 -9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.134 -0.004 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.362 0.756 -8.636 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.138 1.458 -7.197 1.00 0.00 H new ATOM 469 N SER A 32 -6.828 0.787 -12.474 1.00 0.00 N ATOM 470 CA SER A 32 -7.765 1.332 -13.450 1.00 0.00 C ATOM 471 C SER A 32 -9.138 0.650 -13.456 1.00 0.00 C ATOM 472 O SER A 32 -9.943 0.903 -14.352 1.00 0.00 O ATOM 473 CB SER A 32 -7.124 1.244 -14.834 1.00 0.00 C ATOM 474 OG SER A 32 -6.856 -0.105 -15.159 1.00 0.00 O ATOM 0 H SER A 32 -6.008 0.367 -12.911 1.00 0.00 H new ATOM 0 HA SER A 32 -7.961 2.366 -13.166 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.788 1.681 -15.580 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.200 1.822 -14.853 1.00 0.00 H new ATOM 0 HG SER A 32 -6.447 -0.152 -16.048 1.00 0.00 H new ATOM 480 N ASP A 33 -9.418 -0.208 -12.470 1.00 0.00 N ATOM 481 CA ASP A 33 -10.698 -0.899 -12.353 1.00 0.00 C ATOM 482 C ASP A 33 -11.319 -0.657 -10.978 1.00 0.00 C ATOM 483 O ASP A 33 -12.360 -1.229 -10.660 1.00 0.00 O ATOM 484 CB ASP A 33 -10.511 -2.403 -12.574 1.00 0.00 C ATOM 485 CG ASP A 33 -9.762 -2.714 -13.867 1.00 0.00 C ATOM 486 OD1 ASP A 33 -10.356 -2.501 -14.947 1.00 0.00 O ATOM 487 OD2 ASP A 33 -8.599 -3.163 -13.759 1.00 0.00 O ATOM 0 H ASP A 33 -8.757 -0.441 -11.729 1.00 0.00 H new ATOM 0 HA ASP A 33 -11.368 -0.503 -13.116 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.965 -2.826 -11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.487 -2.888 -12.597 1.00 0.00 H new ATOM 492 N CYS A 34 -10.686 0.188 -10.159 1.00 0.00 N ATOM 493 CA CYS A 34 -11.100 0.437 -8.791 1.00 0.00 C ATOM 494 C CYS A 34 -11.674 1.847 -8.645 1.00 0.00 C ATOM 495 O CYS A 34 -11.756 2.593 -9.620 1.00 0.00 O ATOM 496 CB CYS A 34 -9.885 0.235 -7.884 1.00 0.00 C ATOM 497 SG CYS A 34 -9.330 -1.488 -8.001 1.00 0.00 S ATOM 0 H CYS A 34 -9.862 0.721 -10.439 1.00 0.00 H new ATOM 0 HA CYS A 34 -11.891 -0.257 -8.505 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -9.081 0.909 -8.179 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.142 0.477 -6.853 1.00 0.00 H new ATOM 0 HG CYS A 34 -9.906 -2.193 -7.073 1.00 0.00 H new ATOM 503 N THR A 35 -12.072 2.206 -7.421 1.00 0.00 N ATOM 504 CA THR A 35 -12.712 3.488 -7.142 1.00 0.00 C ATOM 505 C THR A 35 -11.964 4.280 -6.075 1.00 0.00 C ATOM 506 O THR A 35 -12.211 5.470 -5.886 1.00 0.00 O ATOM 507 CB THR A 35 -14.171 3.210 -6.760 1.00 0.00 C ATOM 508 OG1 THR A 35 -14.935 3.036 -7.933 1.00 0.00 O ATOM 509 CG2 THR A 35 -14.793 4.322 -5.922 1.00 0.00 C ATOM 0 H THR A 35 -11.958 1.614 -6.598 1.00 0.00 H new ATOM 0 HA THR A 35 -12.686 4.121 -8.029 1.00 0.00 H new ATOM 0 HB THR A 35 -14.173 2.306 -6.150 1.00 0.00 H new ATOM 0 HG1 THR A 35 -15.868 2.856 -7.692 1.00 0.00 H new ATOM 0 HG21 THR A 35 -15.825 4.065 -5.685 1.00 0.00 H new ATOM 0 HG22 THR A 35 -14.227 4.441 -4.998 1.00 0.00 H new ATOM 0 HG23 THR A 35 -14.772 5.256 -6.483 1.00 0.00 H new ATOM 517 N ILE A 36 -11.047 3.613 -5.377 1.00 0.00 N ATOM 518 CA ILE A 36 -10.165 4.226 -4.390 1.00 0.00 C ATOM 519 C ILE A 36 -10.962 5.024 -3.352 1.00 0.00 C ATOM 520 O ILE A 36 -10.481 6.005 -2.791 1.00 0.00 O ATOM 521 CB ILE A 36 -9.098 5.029 -5.142 1.00 0.00 C ATOM 522 CG1 ILE A 36 -8.321 4.084 -6.068 1.00 0.00 C ATOM 523 CG2 ILE A 36 -8.103 5.716 -4.205 1.00 0.00 C ATOM 524 CD1 ILE A 36 -8.008 4.812 -7.369 1.00 0.00 C ATOM 0 H ILE A 36 -10.894 2.610 -5.485 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.647 3.471 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.616 5.806 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.398 3.759 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.908 3.188 -6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.371 6.269 -4.794 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.636 6.404 -3.549 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -7.591 4.965 -3.604 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.456 4.148 -8.034 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.938 5.115 -7.850 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.406 5.695 -7.156 1.00 0.00 H new ATOM 536 N HIS A 37 -12.198 4.585 -3.103 1.00 0.00 N ATOM 537 CA HIS A 37 -13.137 5.187 -2.164 1.00 0.00 C ATOM 538 C HIS A 37 -13.545 6.621 -2.537 1.00 0.00 C ATOM 539 O HIS A 37 -14.563 7.112 -2.053 1.00 0.00 O ATOM 540 CB HIS A 37 -12.546 5.083 -0.758 1.00 0.00 C ATOM 541 CG HIS A 37 -13.575 5.218 0.333 1.00 0.00 C ATOM 542 ND1 HIS A 37 -14.171 4.181 1.015 1.00 0.00 N ATOM 543 CD2 HIS A 37 -14.092 6.381 0.835 1.00 0.00 C ATOM 544 CE1 HIS A 37 -15.025 4.713 1.908 1.00 0.00 C ATOM 545 NE2 HIS A 37 -15.012 6.057 1.839 1.00 0.00 N ATOM 0 H HIS A 37 -12.584 3.766 -3.572 1.00 0.00 H new ATOM 0 HA HIS A 37 -14.075 4.633 -2.204 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -12.041 4.123 -0.654 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.789 5.857 -0.632 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -13.996 3.187 0.869 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.834 7.379 0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -15.638 4.140 2.588 1.00 0.00 H new ATOM 553 N ASP A 38 -12.764 7.291 -3.391 1.00 0.00 N ATOM 554 CA ASP A 38 -13.035 8.632 -3.893 1.00 0.00 C ATOM 555 C ASP A 38 -12.298 8.851 -5.216 1.00 0.00 C ATOM 556 O ASP A 38 -12.823 9.496 -6.121 1.00 0.00 O ATOM 557 CB ASP A 38 -12.535 9.675 -2.895 1.00 0.00 C ATOM 558 CG ASP A 38 -13.431 9.782 -1.662 1.00 0.00 C ATOM 559 OD1 ASP A 38 -14.581 10.249 -1.826 1.00 0.00 O ATOM 560 OD2 ASP A 38 -12.959 9.397 -0.570 1.00 0.00 O ATOM 0 H ASP A 38 -11.899 6.897 -3.761 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.111 8.734 -4.037 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.523 9.419 -2.583 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.481 10.647 -3.386 1.00 0.00 H new ATOM 565 N GLY A 39 -11.080 8.308 -5.318 1.00 0.00 N ATOM 566 CA GLY A 39 -10.262 8.360 -6.522 1.00 0.00 C ATOM 567 C GLY A 39 -8.888 8.951 -6.236 1.00 0.00 C ATOM 568 O GLY A 39 -7.879 8.500 -6.772 1.00 0.00 O ATOM 0 H GLY A 39 -10.632 7.812 -4.548 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.150 7.356 -6.931 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -10.766 8.959 -7.281 1.00 0.00 H new ATOM 572 N ALA A 40 -8.874 9.968 -5.377 1.00 0.00 N ATOM 573 CA ALA A 40 -7.688 10.710 -4.980 1.00 0.00 C ATOM 574 C ALA A 40 -7.814 11.184 -3.531 1.00 0.00 C ATOM 575 O ALA A 40 -7.020 12.003 -3.071 1.00 0.00 O ATOM 576 CB ALA A 40 -7.539 11.906 -5.916 1.00 0.00 C ATOM 0 H ALA A 40 -9.722 10.308 -4.924 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.809 10.069 -5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.654 12.478 -5.637 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.435 11.554 -6.942 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.422 12.541 -5.838 1.00 0.00 H new ATOM 582 N ALA A 41 -8.817 10.665 -2.818 1.00 0.00 N ATOM 583 CA ALA A 41 -9.082 11.037 -1.434 1.00 0.00 C ATOM 584 C ALA A 41 -9.200 9.801 -0.537 1.00 0.00 C ATOM 585 O ALA A 41 -9.699 9.885 0.583 1.00 0.00 O ATOM 586 CB ALA A 41 -10.324 11.929 -1.370 1.00 0.00 C ATOM 0 H ALA A 41 -9.468 9.973 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.238 11.609 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.520 12.206 -0.334 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.156 12.830 -1.961 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.182 11.388 -1.770 1.00 0.00 H new ATOM 592 N GLY A 42 -8.736 8.653 -1.042 1.00 0.00 N ATOM 593 CA GLY A 42 -8.686 7.401 -0.300 1.00 0.00 C ATOM 594 C GLY A 42 -7.276 6.816 -0.344 1.00 0.00 C ATOM 595 O GLY A 42 -7.041 5.712 0.147 1.00 0.00 O ATOM 0 H GLY A 42 -8.380 8.573 -1.994 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.985 7.571 0.734 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.396 6.690 -0.724 1.00 0.00 H new ATOM 599 N VAL A 43 -6.337 7.562 -0.937 1.00 0.00 N ATOM 600 CA VAL A 43 -4.937 7.172 -1.013 1.00 0.00 C ATOM 601 C VAL A 43 -4.287 7.298 0.371 1.00 0.00 C ATOM 602 O VAL A 43 -4.804 8.000 1.239 1.00 0.00 O ATOM 603 CB VAL A 43 -4.222 8.068 -2.041 1.00 0.00 C ATOM 604 CG1 VAL A 43 -3.937 9.452 -1.456 1.00 0.00 C ATOM 605 CG2 VAL A 43 -2.922 7.404 -2.489 1.00 0.00 C ATOM 0 H VAL A 43 -6.536 8.459 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.855 6.133 -1.333 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.876 8.195 -2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.432 10.065 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.876 9.927 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.300 9.351 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.420 8.042 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.273 7.256 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.145 6.439 -2.945 1.00 0.00 H new ATOM 615 N HIS A 44 -3.155 6.621 0.576 1.00 0.00 N ATOM 616 CA HIS A 44 -2.346 6.755 1.781 1.00 0.00 C ATOM 617 C HIS A 44 -0.883 6.508 1.437 1.00 0.00 C ATOM 618 O HIS A 44 -0.587 5.817 0.467 1.00 0.00 O ATOM 619 CB HIS A 44 -2.758 5.721 2.828 1.00 0.00 C ATOM 620 CG HIS A 44 -4.029 6.042 3.560 1.00 0.00 C ATOM 621 ND1 HIS A 44 -4.198 7.018 4.516 1.00 0.00 N ATOM 622 CD2 HIS A 44 -5.233 5.414 3.404 1.00 0.00 C ATOM 623 CE1 HIS A 44 -5.476 6.966 4.928 1.00 0.00 C ATOM 624 NE2 HIS A 44 -6.154 6.004 4.277 1.00 0.00 N ATOM 0 H HIS A 44 -2.774 5.958 -0.099 1.00 0.00 H new ATOM 0 HA HIS A 44 -2.493 7.760 2.178 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.871 4.754 2.339 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.952 5.619 3.555 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.483 7.664 4.851 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -5.438 4.601 2.723 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -5.902 7.611 5.682 1.00 0.00 H new ATOM 632 N PHE A 45 0.023 7.075 2.237 1.00 0.00 N ATOM 633 CA PHE A 45 1.456 6.887 2.081 1.00 0.00 C ATOM 634 C PHE A 45 2.129 7.003 3.443 1.00 0.00 C ATOM 635 O PHE A 45 1.560 7.577 4.371 1.00 0.00 O ATOM 636 CB PHE A 45 2.022 7.961 1.150 1.00 0.00 C ATOM 637 CG PHE A 45 1.445 7.926 -0.245 1.00 0.00 C ATOM 638 CD1 PHE A 45 1.893 6.971 -1.167 1.00 0.00 C ATOM 639 CD2 PHE A 45 0.457 8.847 -0.615 1.00 0.00 C ATOM 640 CE1 PHE A 45 1.331 6.916 -2.449 1.00 0.00 C ATOM 641 CE2 PHE A 45 -0.097 8.797 -1.901 1.00 0.00 C ATOM 642 CZ PHE A 45 0.333 7.826 -2.815 1.00 0.00 C ATOM 0 H PHE A 45 -0.226 7.683 3.017 1.00 0.00 H new ATOM 0 HA PHE A 45 1.645 5.902 1.655 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.834 8.942 1.586 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.104 7.842 1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.672 6.277 -0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.123 9.594 0.089 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.668 6.171 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.857 9.508 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.105 7.780 -3.801 1.00 0.00 H new ATOM 652 N ILE A 46 3.342 6.457 3.558 1.00 0.00 N ATOM 653 CA ILE A 46 4.118 6.514 4.785 1.00 0.00 C ATOM 654 C ILE A 46 5.564 6.819 4.407 1.00 0.00 C ATOM 655 O ILE A 46 6.048 6.324 3.391 1.00 0.00 O ATOM 656 CB ILE A 46 4.017 5.178 5.542 1.00 0.00 C ATOM 657 CG1 ILE A 46 2.563 4.736 5.760 1.00 0.00 C ATOM 658 CG2 ILE A 46 4.668 5.329 6.915 1.00 0.00 C ATOM 659 CD1 ILE A 46 2.073 3.811 4.651 1.00 0.00 C ATOM 0 H ILE A 46 3.809 5.963 2.797 1.00 0.00 H new ATOM 0 HA ILE A 46 3.735 7.292 5.445 1.00 0.00 H new ATOM 0 HB ILE A 46 4.521 4.426 4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.479 4.227 6.720 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.921 5.615 5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 46 4.599 4.385 7.456 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.716 5.602 6.793 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.154 6.108 7.478 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.040 3.524 4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.131 4.329 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.698 2.918 4.619 1.00 0.00 H new ATOM 826 N ALA A 57 2.828 1.970 1.074 1.00 0.00 N ATOM 827 CA ALA A 57 1.585 2.729 1.020 1.00 0.00 C ATOM 828 C ALA A 57 0.348 1.822 1.039 1.00 0.00 C ATOM 829 O ALA A 57 0.464 0.599 1.118 1.00 0.00 O ATOM 830 CB ALA A 57 1.613 3.539 -0.276 1.00 0.00 C ATOM 0 HA ALA A 57 1.514 3.370 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 57 0.698 4.125 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.473 4.208 -0.268 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.688 2.862 -1.127 1.00 0.00 H new ATOM 836 N PHE A 58 -0.841 2.434 0.967 1.00 0.00 N ATOM 837 CA PHE A 58 -2.118 1.725 0.952 1.00 0.00 C ATOM 838 C PHE A 58 -3.131 2.450 0.070 1.00 0.00 C ATOM 839 O PHE A 58 -2.888 3.569 -0.384 1.00 0.00 O ATOM 840 CB PHE A 58 -2.708 1.642 2.361 1.00 0.00 C ATOM 841 CG PHE A 58 -1.849 0.955 3.389 1.00 0.00 C ATOM 842 CD1 PHE A 58 -1.877 -0.440 3.530 1.00 0.00 C ATOM 843 CD2 PHE A 58 -1.023 1.728 4.207 1.00 0.00 C ATOM 844 CE1 PHE A 58 -1.083 -1.057 4.507 1.00 0.00 C ATOM 845 CE2 PHE A 58 -0.236 1.114 5.184 1.00 0.00 C ATOM 846 CZ PHE A 58 -0.263 -0.280 5.337 1.00 0.00 C ATOM 0 H PHE A 58 -0.940 3.448 0.917 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.925 0.726 0.562 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.918 2.654 2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.663 1.120 2.305 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.508 -1.037 2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.993 2.801 4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.103 -2.131 4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.395 1.714 5.823 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.346 -0.754 6.092 1.00 0.00 H new ATOM 856 N VAL A 59 -4.271 1.796 -0.164 1.00 0.00 N ATOM 857 CA VAL A 59 -5.369 2.333 -0.951 1.00 0.00 C ATOM 858 C VAL A 59 -6.687 1.813 -0.385 1.00 0.00 C ATOM 859 O VAL A 59 -6.942 0.611 -0.426 1.00 0.00 O ATOM 860 CB VAL A 59 -5.235 1.874 -2.409 1.00 0.00 C ATOM 861 CG1 VAL A 59 -6.336 2.498 -3.263 1.00 0.00 C ATOM 862 CG2 VAL A 59 -3.891 2.273 -3.015 1.00 0.00 C ATOM 0 H VAL A 59 -4.454 0.860 0.198 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.346 3.422 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.315 0.787 -2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.229 2.164 -4.295 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.310 2.192 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.256 3.584 -3.223 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.841 1.928 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.788 3.358 -2.990 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.084 1.819 -2.441 1.00 0.00 H new ATOM 872 N GLU A 60 -7.530 2.703 0.144 1.00 0.00 N ATOM 873 CA GLU A 60 -8.868 2.315 0.567 1.00 0.00 C ATOM 874 C GLU A 60 -9.761 2.239 -0.666 1.00 0.00 C ATOM 875 O GLU A 60 -9.568 3.002 -1.611 1.00 0.00 O ATOM 876 CB GLU A 60 -9.450 3.338 1.541 1.00 0.00 C ATOM 877 CG GLU A 60 -8.631 3.416 2.829 1.00 0.00 C ATOM 878 CD GLU A 60 -9.324 4.308 3.858 1.00 0.00 C ATOM 879 OE1 GLU A 60 -9.564 5.493 3.535 1.00 0.00 O ATOM 880 OE2 GLU A 60 -9.612 3.797 4.963 1.00 0.00 O ATOM 0 H GLU A 60 -7.308 3.688 0.287 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.816 1.349 1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.477 4.319 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.479 3.070 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.495 2.416 3.240 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.638 3.808 2.611 1.00 0.00 H new ATOM 887 N LEU A 61 -10.737 1.330 -0.667 1.00 0.00 N ATOM 888 CA LEU A 61 -11.656 1.180 -1.788 1.00 0.00 C ATOM 889 C LEU A 61 -13.100 1.344 -1.328 1.00 0.00 C ATOM 890 O LEU A 61 -13.360 1.696 -0.178 1.00 0.00 O ATOM 891 CB LEU A 61 -11.466 -0.197 -2.423 1.00 0.00 C ATOM 892 CG LEU A 61 -9.988 -0.559 -2.603 1.00 0.00 C ATOM 893 CD1 LEU A 61 -9.884 -2.060 -2.800 1.00 0.00 C ATOM 894 CD2 LEU A 61 -9.402 0.150 -3.821 1.00 0.00 C ATOM 0 H LEU A 61 -10.909 0.684 0.103 1.00 0.00 H new ATOM 0 HA LEU A 61 -11.440 1.955 -2.524 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -11.949 -0.951 -1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -11.963 -0.218 -3.393 1.00 0.00 H new ATOM 0 HG LEU A 61 -9.430 -0.245 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.838 -2.338 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -10.289 -2.571 -1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.450 -2.351 -3.685 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.352 -0.121 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -9.949 -0.150 -4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -9.486 1.229 -3.689 1.00 0.00 H new ATOM 906 N GLY A 62 -14.044 1.089 -2.237 1.00 0.00 N ATOM 907 CA GLY A 62 -15.453 1.289 -1.956 1.00 0.00 C ATOM 908 C GLY A 62 -16.205 -0.006 -1.655 1.00 0.00 C ATOM 909 O GLY A 62 -17.169 0.028 -0.890 1.00 0.00 O ATOM 0 H GLY A 62 -13.849 0.742 -3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.553 1.964 -1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.919 1.780 -2.810 1.00 0.00 H new ATOM 913 N SER A 63 -15.789 -1.138 -2.235 1.00 0.00 N ATOM 914 CA SER A 63 -16.500 -2.398 -2.043 1.00 0.00 C ATOM 915 C SER A 63 -15.570 -3.604 -2.145 1.00 0.00 C ATOM 916 O SER A 63 -14.401 -3.478 -2.505 1.00 0.00 O ATOM 917 CB SER A 63 -17.598 -2.534 -3.104 1.00 0.00 C ATOM 918 OG SER A 63 -18.539 -1.486 -2.996 1.00 0.00 O ATOM 0 H SER A 63 -14.968 -1.203 -2.837 1.00 0.00 H new ATOM 0 HA SER A 63 -16.928 -2.381 -1.041 1.00 0.00 H new ATOM 0 HB2 SER A 63 -17.151 -2.525 -4.098 1.00 0.00 H new ATOM 0 HB3 SER A 63 -18.102 -3.494 -2.990 1.00 0.00 H new ATOM 0 HG SER A 63 -19.229 -1.593 -3.684 1.00 0.00 H new ATOM 924 N GLU A 64 -16.110 -4.785 -1.823 1.00 0.00 N ATOM 925 CA GLU A 64 -15.399 -6.052 -1.924 1.00 0.00 C ATOM 926 C GLU A 64 -14.984 -6.329 -3.366 1.00 0.00 C ATOM 927 O GLU A 64 -13.968 -6.976 -3.610 1.00 0.00 O ATOM 928 CB GLU A 64 -16.330 -7.169 -1.447 1.00 0.00 C ATOM 929 CG GLU A 64 -15.666 -8.537 -1.579 1.00 0.00 C ATOM 930 CD GLU A 64 -16.569 -9.634 -1.022 1.00 0.00 C ATOM 931 OE1 GLU A 64 -16.550 -9.829 0.214 1.00 0.00 O ATOM 932 OE2 GLU A 64 -17.274 -10.272 -1.838 1.00 0.00 O ATOM 0 H GLU A 64 -17.066 -4.882 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 64 -14.500 -6.007 -1.309 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -16.607 -6.995 -0.407 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.251 -7.151 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -15.445 -8.739 -2.627 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.715 -8.537 -1.047 1.00 0.00 H new ATOM 939 N ASP A 65 -15.763 -5.845 -4.334 1.00 0.00 N ATOM 940 CA ASP A 65 -15.446 -6.103 -5.724 1.00 0.00 C ATOM 941 C ASP A 65 -14.196 -5.327 -6.137 1.00 0.00 C ATOM 942 O ASP A 65 -13.471 -5.752 -7.035 1.00 0.00 O ATOM 943 CB ASP A 65 -16.645 -5.710 -6.587 1.00 0.00 C ATOM 944 CG ASP A 65 -16.462 -6.134 -8.042 1.00 0.00 C ATOM 945 OD1 ASP A 65 -16.184 -7.334 -8.264 1.00 0.00 O ATOM 946 OD2 ASP A 65 -16.603 -5.255 -8.920 1.00 0.00 O ATOM 0 H ASP A 65 -16.600 -5.284 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 65 -15.238 -7.164 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -17.548 -6.170 -6.185 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -16.789 -4.631 -6.539 1.00 0.00 H new ATOM 951 N ASP A 66 -13.931 -4.189 -5.487 1.00 0.00 N ATOM 952 CA ASP A 66 -12.773 -3.375 -5.803 1.00 0.00 C ATOM 953 C ASP A 66 -11.508 -3.993 -5.220 1.00 0.00 C ATOM 954 O ASP A 66 -10.455 -3.932 -5.852 1.00 0.00 O ATOM 955 CB ASP A 66 -12.976 -1.977 -5.223 1.00 0.00 C ATOM 956 CG ASP A 66 -14.127 -1.245 -5.903 1.00 0.00 C ATOM 957 OD1 ASP A 66 -13.915 -0.774 -7.042 1.00 0.00 O ATOM 958 OD2 ASP A 66 -15.205 -1.161 -5.277 1.00 0.00 O ATOM 0 H ASP A 66 -14.512 -3.817 -4.736 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.661 -3.318 -6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.174 -2.052 -4.154 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -12.059 -1.399 -5.338 1.00 0.00 H new ATOM 963 N VAL A 67 -11.590 -4.587 -4.023 1.00 0.00 N ATOM 964 CA VAL A 67 -10.418 -5.203 -3.416 1.00 0.00 C ATOM 965 C VAL A 67 -10.035 -6.445 -4.204 1.00 0.00 C ATOM 966 O VAL A 67 -8.850 -6.700 -4.397 1.00 0.00 O ATOM 967 CB VAL A 67 -10.632 -5.488 -1.921 1.00 0.00 C ATOM 968 CG1 VAL A 67 -12.017 -6.023 -1.583 1.00 0.00 C ATOM 969 CG2 VAL A 67 -9.597 -6.471 -1.374 1.00 0.00 C ATOM 0 H VAL A 67 -12.444 -4.651 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.583 -4.504 -3.461 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.520 -4.513 -1.447 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.087 -6.198 -0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.771 -5.295 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.185 -6.959 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.785 -6.645 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.670 -7.415 -1.915 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.597 -6.056 -1.502 1.00 0.00 H new ATOM 979 N LYS A 68 -11.014 -7.225 -4.664 1.00 0.00 N ATOM 980 CA LYS A 68 -10.720 -8.379 -5.494 1.00 0.00 C ATOM 981 C LYS A 68 -10.033 -7.946 -6.786 1.00 0.00 C ATOM 982 O LYS A 68 -9.030 -8.540 -7.175 1.00 0.00 O ATOM 983 CB LYS A 68 -12.025 -9.111 -5.797 1.00 0.00 C ATOM 984 CG LYS A 68 -12.522 -9.832 -4.545 1.00 0.00 C ATOM 985 CD LYS A 68 -13.879 -10.475 -4.832 1.00 0.00 C ATOM 986 CE LYS A 68 -14.367 -11.210 -3.585 1.00 0.00 C ATOM 987 NZ LYS A 68 -15.680 -11.843 -3.815 1.00 0.00 N ATOM 0 H LYS A 68 -12.005 -7.076 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.042 -9.049 -4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.778 -8.402 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.871 -9.829 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.804 -10.594 -4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.609 -9.128 -3.717 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.601 -9.712 -5.123 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -13.795 -11.170 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.639 -11.970 -3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.439 -10.510 -2.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.389 -11.408 -3.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.962 -11.708 -4.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -15.616 -12.860 -3.609 1.00 0.00 H new ATOM 1001 N MET A 69 -10.566 -6.915 -7.452 1.00 0.00 N ATOM 1002 CA MET A 69 -10.028 -6.449 -8.720 1.00 0.00 C ATOM 1003 C MET A 69 -8.638 -5.836 -8.573 1.00 0.00 C ATOM 1004 O MET A 69 -7.858 -5.867 -9.522 1.00 0.00 O ATOM 1005 CB MET A 69 -10.981 -5.426 -9.338 1.00 0.00 C ATOM 1006 CG MET A 69 -12.168 -6.141 -9.983 1.00 0.00 C ATOM 1007 SD MET A 69 -13.214 -5.079 -11.013 1.00 0.00 S ATOM 1008 CE MET A 69 -13.642 -3.808 -9.799 1.00 0.00 C ATOM 0 H MET A 69 -11.376 -6.389 -7.124 1.00 0.00 H new ATOM 0 HA MET A 69 -9.932 -7.317 -9.372 1.00 0.00 H new ATOM 0 HB2 MET A 69 -11.334 -4.736 -8.572 1.00 0.00 H new ATOM 0 HB3 MET A 69 -10.455 -4.831 -10.084 1.00 0.00 H new ATOM 0 HG2 MET A 69 -11.793 -6.963 -10.593 1.00 0.00 H new ATOM 0 HG3 MET A 69 -12.781 -6.582 -9.197 1.00 0.00 H new ATOM 0 HE1 MET A 69 -14.289 -3.064 -10.264 1.00 0.00 H new ATOM 0 HE2 MET A 69 -14.163 -4.268 -8.959 1.00 0.00 H new ATOM 0 HE3 MET A 69 -12.732 -3.326 -9.441 1.00 0.00 H new ATOM 1018 N ALA A 70 -8.312 -5.281 -7.403 1.00 0.00 N ATOM 1019 CA ALA A 70 -6.993 -4.714 -7.171 1.00 0.00 C ATOM 1020 C ALA A 70 -5.947 -5.816 -6.995 1.00 0.00 C ATOM 1021 O ALA A 70 -4.781 -5.626 -7.338 1.00 0.00 O ATOM 1022 CB ALA A 70 -7.051 -3.831 -5.926 1.00 0.00 C ATOM 0 H ALA A 70 -8.946 -5.215 -6.607 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.700 -4.117 -8.035 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.068 -3.399 -5.740 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.775 -3.031 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.351 -4.432 -5.068 1.00 0.00 H new ATOM 1028 N LEU A 71 -6.357 -6.969 -6.460 1.00 0.00 N ATOM 1029 CA LEU A 71 -5.469 -8.101 -6.242 1.00 0.00 C ATOM 1030 C LEU A 71 -5.191 -8.857 -7.544 1.00 0.00 C ATOM 1031 O LEU A 71 -4.235 -9.626 -7.613 1.00 0.00 O ATOM 1032 CB LEU A 71 -6.106 -9.021 -5.197 1.00 0.00 C ATOM 1033 CG LEU A 71 -6.259 -8.287 -3.861 1.00 0.00 C ATOM 1034 CD1 LEU A 71 -7.108 -9.114 -2.900 1.00 0.00 C ATOM 1035 CD2 LEU A 71 -4.905 -8.006 -3.228 1.00 0.00 C ATOM 0 H LEU A 71 -7.319 -7.139 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.506 -7.740 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.081 -9.359 -5.547 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.490 -9.910 -5.062 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.752 -7.335 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.210 -8.582 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.095 -9.275 -3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.627 -10.076 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.047 -7.484 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.385 -8.947 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.312 -7.385 -3.899 1.00 0.00 H new ATOM 1047 N LYS A 72 -6.014 -8.647 -8.578 1.00 0.00 N ATOM 1048 CA LYS A 72 -5.806 -9.277 -9.882 1.00 0.00 C ATOM 1049 C LYS A 72 -4.540 -8.799 -10.596 1.00 0.00 C ATOM 1050 O LYS A 72 -4.171 -9.375 -11.618 1.00 0.00 O ATOM 1051 CB LYS A 72 -6.999 -9.017 -10.804 1.00 0.00 C ATOM 1052 CG LYS A 72 -8.325 -9.531 -10.240 1.00 0.00 C ATOM 1053 CD LYS A 72 -8.249 -11.006 -9.833 1.00 0.00 C ATOM 1054 CE LYS A 72 -9.577 -11.453 -9.223 1.00 0.00 C ATOM 1055 NZ LYS A 72 -10.667 -11.440 -10.217 1.00 0.00 N ATOM 0 H LYS A 72 -6.834 -8.042 -8.534 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.696 -10.341 -9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.081 -7.946 -10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.814 -9.491 -11.768 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.606 -8.931 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -9.109 -9.402 -10.986 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.015 -11.620 -10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.443 -11.152 -9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.470 -12.458 -8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.835 -10.797 -8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.490 -11.950 -9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.935 -10.457 -10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.346 -11.904 -11.091 1.00 0.00 H new ATOM 1069 N LYS A 73 -3.875 -7.762 -10.080 1.00 0.00 N ATOM 1070 CA LYS A 73 -2.661 -7.227 -10.685 1.00 0.00 C ATOM 1071 C LYS A 73 -1.588 -7.000 -9.629 1.00 0.00 C ATOM 1072 O LYS A 73 -0.714 -6.150 -9.776 1.00 0.00 O ATOM 1073 CB LYS A 73 -2.966 -5.959 -11.486 1.00 0.00 C ATOM 1074 CG LYS A 73 -3.446 -4.813 -10.598 1.00 0.00 C ATOM 1075 CD LYS A 73 -4.967 -4.760 -10.485 1.00 0.00 C ATOM 1076 CE LYS A 73 -5.596 -4.326 -11.809 1.00 0.00 C ATOM 1077 NZ LYS A 73 -7.059 -4.190 -11.681 1.00 0.00 N ATOM 0 H LYS A 73 -4.165 -7.273 -9.233 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.268 -7.961 -11.388 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.071 -5.648 -12.024 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -3.727 -6.179 -12.234 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.014 -4.923 -9.603 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.081 -3.868 -11.001 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.349 -5.740 -10.200 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.253 -4.064 -9.696 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.165 -3.376 -12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.362 -5.056 -12.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -7.485 -4.113 -12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.444 -5.025 -11.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.281 -3.336 -11.131 1.00 0.00 H new ATOM 1091 N ASP A 74 -1.683 -7.788 -8.560 1.00 0.00 N ATOM 1092 CA ASP A 74 -0.810 -7.773 -7.398 1.00 0.00 C ATOM 1093 C ASP A 74 0.706 -7.771 -7.655 1.00 0.00 C ATOM 1094 O ASP A 74 1.460 -7.652 -6.692 1.00 0.00 O ATOM 1095 CB ASP A 74 -1.231 -8.916 -6.474 1.00 0.00 C ATOM 1096 CG ASP A 74 -1.176 -10.299 -7.127 1.00 0.00 C ATOM 1097 OD1 ASP A 74 -0.713 -10.396 -8.285 1.00 0.00 O ATOM 1098 OD2 ASP A 74 -1.603 -11.257 -6.447 1.00 0.00 O ATOM 0 H ASP A 74 -2.415 -8.494 -8.482 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.952 -6.798 -6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.586 -8.915 -5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.247 -8.731 -6.124 1.00 0.00 H new ATOM 1103 N ARG A 75 1.175 -7.893 -8.905 1.00 0.00 N ATOM 1104 CA ARG A 75 2.594 -7.742 -9.224 1.00 0.00 C ATOM 1105 C ARG A 75 2.833 -7.320 -10.678 1.00 0.00 C ATOM 1106 O ARG A 75 3.898 -7.590 -11.230 1.00 0.00 O ATOM 1107 CB ARG A 75 3.382 -9.000 -8.864 1.00 0.00 C ATOM 1108 CG ARG A 75 2.698 -10.276 -9.336 1.00 0.00 C ATOM 1109 CD ARG A 75 3.630 -11.431 -9.004 1.00 0.00 C ATOM 1110 NE ARG A 75 3.039 -12.722 -9.372 1.00 0.00 N ATOM 1111 CZ ARG A 75 3.602 -13.903 -9.104 1.00 0.00 C ATOM 1112 NH1 ARG A 75 4.769 -13.972 -8.466 1.00 0.00 N ATOM 1113 NH2 ARG A 75 2.996 -15.028 -9.475 1.00 0.00 N ATOM 0 H ARG A 75 0.586 -8.097 -9.712 1.00 0.00 H new ATOM 0 HA ARG A 75 2.968 -6.927 -8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.376 -8.940 -9.307 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.516 -9.043 -7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 75 1.735 -10.403 -8.841 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.502 -10.235 -10.407 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.576 -11.299 -9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 75 3.855 -11.423 -7.937 1.00 0.00 H new ATOM 0 HE ARG A 75 2.144 -12.718 -9.862 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.243 -13.117 -8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.189 -14.880 -8.267 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.102 -14.988 -9.964 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.426 -15.930 -9.270 1.00 0.00 H new ATOM 1127 N GLU A 76 1.857 -6.660 -11.308 1.00 0.00 N ATOM 1128 CA GLU A 76 2.017 -6.169 -12.673 1.00 0.00 C ATOM 1129 C GLU A 76 2.970 -4.972 -12.729 1.00 0.00 C ATOM 1130 O GLU A 76 3.747 -4.718 -11.810 1.00 0.00 O ATOM 1131 CB GLU A 76 0.667 -5.780 -13.278 1.00 0.00 C ATOM 1132 CG GLU A 76 -0.297 -6.956 -13.262 1.00 0.00 C ATOM 1133 CD GLU A 76 0.316 -8.223 -13.856 1.00 0.00 C ATOM 1134 OE1 GLU A 76 0.655 -8.194 -15.060 1.00 0.00 O ATOM 1135 OE2 GLU A 76 0.441 -9.212 -13.101 1.00 0.00 O ATOM 0 H GLU A 76 0.949 -6.455 -10.891 1.00 0.00 H new ATOM 0 HA GLU A 76 2.447 -6.982 -13.258 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.240 -4.948 -12.718 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.809 -5.436 -14.302 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.608 -7.153 -12.236 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.195 -6.694 -13.822 1.00 0.00 H new ATOM 1142 N SER A 77 2.897 -4.231 -13.837 1.00 0.00 N ATOM 1143 CA SER A 77 3.750 -3.080 -14.086 1.00 0.00 C ATOM 1144 C SER A 77 2.980 -1.993 -14.828 1.00 0.00 C ATOM 1145 O SER A 77 2.029 -2.281 -15.554 1.00 0.00 O ATOM 1146 CB SER A 77 4.950 -3.526 -14.922 1.00 0.00 C ATOM 1147 OG SER A 77 5.759 -2.413 -15.237 1.00 0.00 O ATOM 0 H SER A 77 2.236 -4.420 -14.590 1.00 0.00 H new ATOM 0 HA SER A 77 4.089 -2.671 -13.134 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.532 -4.265 -14.372 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.607 -4.008 -15.838 1.00 0.00 H new ATOM 0 HG SER A 77 5.862 -1.848 -14.443 1.00 0.00 H new ATOM 1153 N MET A 78 3.397 -0.737 -14.642 1.00 0.00 N ATOM 1154 CA MET A 78 2.822 0.400 -15.351 1.00 0.00 C ATOM 1155 C MET A 78 3.334 0.447 -16.790 1.00 0.00 C ATOM 1156 O MET A 78 2.812 1.206 -17.604 1.00 0.00 O ATOM 1157 CB MET A 78 3.198 1.693 -14.625 1.00 0.00 C ATOM 1158 CG MET A 78 2.539 1.736 -13.249 1.00 0.00 C ATOM 1159 SD MET A 78 3.014 3.165 -12.248 1.00 0.00 S ATOM 1160 CE MET A 78 1.975 2.841 -10.801 1.00 0.00 C ATOM 0 H MET A 78 4.143 -0.484 -13.994 1.00 0.00 H new ATOM 0 HA MET A 78 1.737 0.293 -15.372 1.00 0.00 H new ATOM 0 HB2 MET A 78 4.281 1.758 -14.520 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.883 2.554 -15.214 1.00 0.00 H new ATOM 0 HG2 MET A 78 1.456 1.739 -13.376 1.00 0.00 H new ATOM 0 HG3 MET A 78 2.794 0.825 -12.707 1.00 0.00 H new ATOM 0 HE1 MET A 78 2.397 3.343 -9.930 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.968 3.217 -10.984 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.934 1.768 -10.616 1.00 0.00 H new ATOM 1170 N GLY A 79 4.353 -0.361 -17.102 1.00 0.00 N ATOM 1171 CA GLY A 79 4.936 -0.424 -18.432 1.00 0.00 C ATOM 1172 C GLY A 79 6.450 -0.223 -18.403 1.00 0.00 C ATOM 1173 O GLY A 79 7.095 -0.317 -19.447 1.00 0.00 O ATOM 0 H GLY A 79 4.793 -0.990 -16.430 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.707 -1.390 -18.883 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.481 0.339 -19.064 1.00 0.00 H new ATOM 1177 N HIS A 80 7.026 0.052 -17.226 1.00 0.00 N ATOM 1178 CA HIS A 80 8.456 0.314 -17.117 1.00 0.00 C ATOM 1179 C HIS A 80 9.042 -0.114 -15.768 1.00 0.00 C ATOM 1180 O HIS A 80 10.262 -0.238 -15.654 1.00 0.00 O ATOM 1181 CB HIS A 80 8.684 1.810 -17.355 1.00 0.00 C ATOM 1182 CG HIS A 80 10.130 2.175 -17.544 1.00 0.00 C ATOM 1183 ND1 HIS A 80 10.785 2.319 -18.746 1.00 0.00 N ATOM 1184 CD2 HIS A 80 11.042 2.429 -16.555 1.00 0.00 C ATOM 1185 CE1 HIS A 80 12.059 2.656 -18.481 1.00 0.00 C ATOM 1186 NE2 HIS A 80 12.268 2.737 -17.155 1.00 0.00 N ATOM 0 H HIS A 80 6.520 0.097 -16.341 1.00 0.00 H new ATOM 0 HA HIS A 80 8.974 -0.283 -17.867 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.122 2.119 -18.236 1.00 0.00 H new ATOM 0 HB3 HIS A 80 8.284 2.369 -16.509 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.848 2.397 -15.493 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.813 2.837 -19.232 1.00 0.00 H new ATOM 0 HE2 HIS A 80 13.141 2.974 -16.684 1.00 0.00 H new ATOM 1194 N ARG A 81 8.212 -0.343 -14.741 1.00 0.00 N ATOM 1195 CA ARG A 81 8.724 -0.755 -13.438 1.00 0.00 C ATOM 1196 C ARG A 81 7.695 -1.573 -12.656 1.00 0.00 C ATOM 1197 O ARG A 81 6.489 -1.444 -12.855 1.00 0.00 O ATOM 1198 CB ARG A 81 9.159 0.493 -12.658 1.00 0.00 C ATOM 1199 CG ARG A 81 9.792 0.168 -11.299 1.00 0.00 C ATOM 1200 CD ARG A 81 11.060 -0.676 -11.433 1.00 0.00 C ATOM 1201 NE ARG A 81 11.506 -1.153 -10.118 1.00 0.00 N ATOM 1202 CZ ARG A 81 12.769 -1.453 -9.807 1.00 0.00 C ATOM 1203 NH1 ARG A 81 13.747 -1.310 -10.698 1.00 0.00 N ATOM 1204 NH2 ARG A 81 13.058 -1.901 -8.588 1.00 0.00 N ATOM 0 H ARG A 81 7.197 -0.250 -14.791 1.00 0.00 H new ATOM 0 HA ARG A 81 9.585 -1.407 -13.585 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.873 1.058 -13.258 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.293 1.137 -12.503 1.00 0.00 H new ATOM 0 HG2 ARG A 81 10.030 1.097 -10.781 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.068 -0.364 -10.682 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.870 -1.526 -12.089 1.00 0.00 H new ATOM 0 HD3 ARG A 81 11.849 -0.085 -11.898 1.00 0.00 H new ATOM 0 HE ARG A 81 10.800 -1.263 -9.390 1.00 0.00 H new ATOM 0 HH11 ARG A 81 13.537 -0.966 -11.635 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.707 -1.544 -10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.316 -2.014 -7.897 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.021 -2.132 -8.345 1.00 0.00 H new ATOM 1218 N TYR A 82 8.213 -2.416 -11.760 1.00 0.00 N ATOM 1219 CA TYR A 82 7.483 -3.354 -10.923 1.00 0.00 C ATOM 1220 C TYR A 82 6.627 -2.636 -9.883 1.00 0.00 C ATOM 1221 O TYR A 82 7.106 -1.779 -9.136 1.00 0.00 O ATOM 1222 CB TYR A 82 8.570 -4.226 -10.287 1.00 0.00 C ATOM 1223 CG TYR A 82 8.218 -5.382 -9.370 1.00 0.00 C ATOM 1224 CD1 TYR A 82 6.917 -5.894 -9.215 1.00 0.00 C ATOM 1225 CD2 TYR A 82 9.278 -5.953 -8.656 1.00 0.00 C ATOM 1226 CE1 TYR A 82 6.688 -6.978 -8.345 1.00 0.00 C ATOM 1227 CE2 TYR A 82 9.063 -7.038 -7.801 1.00 0.00 C ATOM 1228 CZ TYR A 82 7.768 -7.570 -7.658 1.00 0.00 C ATOM 1229 OH TYR A 82 7.564 -8.652 -6.857 1.00 0.00 O ATOM 0 H TYR A 82 9.218 -2.460 -11.594 1.00 0.00 H new ATOM 0 HA TYR A 82 6.771 -3.951 -11.493 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.165 -4.637 -11.103 1.00 0.00 H new ATOM 0 HB3 TYR A 82 9.222 -3.559 -9.722 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.095 -5.457 -9.762 1.00 0.00 H new ATOM 0 HD2 TYR A 82 10.274 -5.550 -8.767 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.686 -7.355 -8.204 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.888 -7.467 -7.252 1.00 0.00 H new ATOM 0 HH TYR A 82 6.926 -8.420 -6.150 1.00 0.00 H new ATOM 1239 N ILE A 83 5.344 -3.012 -9.854 1.00 0.00 N ATOM 1240 CA ILE A 83 4.373 -2.537 -8.885 1.00 0.00 C ATOM 1241 C ILE A 83 3.828 -3.757 -8.160 1.00 0.00 C ATOM 1242 O ILE A 83 3.952 -4.876 -8.653 1.00 0.00 O ATOM 1243 CB ILE A 83 3.206 -1.813 -9.574 1.00 0.00 C ATOM 1244 CG1 ILE A 83 3.650 -0.812 -10.643 1.00 0.00 C ATOM 1245 CG2 ILE A 83 2.327 -1.096 -8.539 1.00 0.00 C ATOM 1246 CD1 ILE A 83 4.465 0.350 -10.087 1.00 0.00 C ATOM 0 H ILE A 83 4.950 -3.672 -10.525 1.00 0.00 H new ATOM 0 HA ILE A 83 4.852 -1.834 -8.203 1.00 0.00 H new ATOM 0 HB ILE A 83 2.635 -2.591 -10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.242 -1.334 -11.395 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.769 -0.418 -11.149 1.00 0.00 H new ATOM 0 HG21 ILE A 83 1.506 -0.589 -9.047 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.924 -1.825 -7.836 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.926 -0.364 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 83 4.746 1.020 -10.900 1.00 0.00 H new ATOM 0 HD12 ILE A 83 3.868 0.896 -9.357 1.00 0.00 H new ATOM 0 HD13 ILE A 83 5.365 -0.034 -9.606 1.00 0.00 H new ATOM 1258 N GLU A 84 3.222 -3.556 -6.993 1.00 0.00 N ATOM 1259 CA GLU A 84 2.642 -4.652 -6.242 1.00 0.00 C ATOM 1260 C GLU A 84 1.400 -4.209 -5.485 1.00 0.00 C ATOM 1261 O GLU A 84 1.213 -3.025 -5.207 1.00 0.00 O ATOM 1262 CB GLU A 84 3.671 -5.157 -5.239 1.00 0.00 C ATOM 1263 CG GLU A 84 4.550 -6.260 -5.825 1.00 0.00 C ATOM 1264 CD GLU A 84 5.447 -6.842 -4.735 1.00 0.00 C ATOM 1265 OE1 GLU A 84 5.843 -6.053 -3.850 1.00 0.00 O ATOM 1266 OE2 GLU A 84 5.729 -8.058 -4.791 1.00 0.00 O ATOM 0 H GLU A 84 3.123 -2.642 -6.551 1.00 0.00 H new ATOM 0 HA GLU A 84 2.358 -5.437 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.299 -4.327 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.159 -5.534 -4.353 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.927 -7.045 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.160 -5.860 -6.635 1.00 0.00 H new ATOM 1273 N VAL A 85 0.559 -5.191 -5.158 1.00 0.00 N ATOM 1274 CA VAL A 85 -0.658 -4.994 -4.391 1.00 0.00 C ATOM 1275 C VAL A 85 -0.816 -6.188 -3.461 1.00 0.00 C ATOM 1276 O VAL A 85 -0.315 -7.273 -3.749 1.00 0.00 O ATOM 1277 CB VAL A 85 -1.888 -4.904 -5.307 1.00 0.00 C ATOM 1278 CG1 VAL A 85 -3.061 -4.265 -4.565 1.00 0.00 C ATOM 1279 CG2 VAL A 85 -1.614 -4.080 -6.561 1.00 0.00 C ATOM 0 H VAL A 85 0.714 -6.163 -5.427 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.586 -4.060 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.129 -5.925 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.924 -4.209 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.312 -4.869 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.785 -3.261 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.513 -4.045 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.330 -3.067 -6.276 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.803 -4.538 -7.128 1.00 0.00 H new ATOM 1289 N PHE A 86 -1.511 -5.996 -2.343 1.00 0.00 N ATOM 1290 CA PHE A 86 -1.762 -7.073 -1.400 1.00 0.00 C ATOM 1291 C PHE A 86 -3.006 -6.717 -0.598 1.00 0.00 C ATOM 1292 O PHE A 86 -3.350 -5.544 -0.479 1.00 0.00 O ATOM 1293 CB PHE A 86 -0.527 -7.235 -0.514 1.00 0.00 C ATOM 1294 CG PHE A 86 -0.443 -8.504 0.303 1.00 0.00 C ATOM 1295 CD1 PHE A 86 -1.055 -8.551 1.560 1.00 0.00 C ATOM 1296 CD2 PHE A 86 0.249 -9.627 -0.182 1.00 0.00 C ATOM 1297 CE1 PHE A 86 -0.964 -9.702 2.351 1.00 0.00 C ATOM 1298 CE2 PHE A 86 0.352 -10.773 0.617 1.00 0.00 C ATOM 1299 CZ PHE A 86 -0.256 -10.815 1.879 1.00 0.00 C ATOM 0 H PHE A 86 -1.911 -5.098 -2.070 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.941 -8.024 -1.901 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.357 -7.179 -1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.484 -6.386 0.169 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.602 -7.693 1.923 1.00 0.00 H new ATOM 0 HD2 PHE A 86 0.698 -9.607 -1.164 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.438 -9.732 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.903 -11.630 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.179 -11.704 2.487 1.00 0.00 H new ATOM 1309 N LYS A 87 -3.694 -7.712 -0.042 1.00 0.00 N ATOM 1310 CA LYS A 87 -4.950 -7.471 0.644 1.00 0.00 C ATOM 1311 C LYS A 87 -4.716 -6.771 1.982 1.00 0.00 C ATOM 1312 O LYS A 87 -3.667 -6.931 2.601 1.00 0.00 O ATOM 1313 CB LYS A 87 -5.672 -8.809 0.804 1.00 0.00 C ATOM 1314 CG LYS A 87 -7.124 -8.579 1.207 1.00 0.00 C ATOM 1315 CD LYS A 87 -7.856 -9.910 1.374 1.00 0.00 C ATOM 1316 CE LYS A 87 -9.294 -9.642 1.816 1.00 0.00 C ATOM 1317 NZ LYS A 87 -10.030 -10.903 2.025 1.00 0.00 N ATOM 0 H LYS A 87 -3.399 -8.688 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.579 -6.800 0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.631 -9.367 -0.131 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -5.169 -9.414 1.558 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.163 -8.017 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.625 -7.975 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.849 -10.463 0.435 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.346 -10.529 2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.292 -9.062 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -9.803 -9.041 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.003 -10.691 2.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.051 -11.444 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.556 -11.464 2.761 1.00 0.00 H new ATOM 1331 N SER A 88 -5.700 -5.992 2.431 1.00 0.00 N ATOM 1332 CA SER A 88 -5.626 -5.263 3.691 1.00 0.00 C ATOM 1333 C SER A 88 -6.984 -5.285 4.394 1.00 0.00 C ATOM 1334 O SER A 88 -7.971 -5.763 3.839 1.00 0.00 O ATOM 1335 CB SER A 88 -5.153 -3.834 3.425 1.00 0.00 C ATOM 1336 OG SER A 88 -4.991 -3.136 4.642 1.00 0.00 O ATOM 0 H SER A 88 -6.575 -5.850 1.926 1.00 0.00 H new ATOM 0 HA SER A 88 -4.906 -5.744 4.353 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.209 -3.852 2.880 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.876 -3.316 2.794 1.00 0.00 H new ATOM 0 HG SER A 88 -4.686 -2.223 4.457 1.00 0.00 H new ATOM 1342 N HIS A 89 -7.034 -4.763 5.624 1.00 0.00 N ATOM 1343 CA HIS A 89 -8.208 -4.839 6.485 1.00 0.00 C ATOM 1344 C HIS A 89 -8.301 -3.641 7.436 1.00 0.00 C ATOM 1345 O HIS A 89 -9.086 -3.666 8.381 1.00 0.00 O ATOM 1346 CB HIS A 89 -8.136 -6.155 7.266 1.00 0.00 C ATOM 1347 CG HIS A 89 -6.757 -6.442 7.800 1.00 0.00 C ATOM 1348 ND1 HIS A 89 -6.268 -6.082 9.034 1.00 0.00 N ATOM 1349 CD2 HIS A 89 -5.755 -7.107 7.145 1.00 0.00 C ATOM 1350 CE1 HIS A 89 -4.990 -6.499 9.105 1.00 0.00 C ATOM 1351 NE2 HIS A 89 -4.630 -7.137 7.978 1.00 0.00 N ATOM 0 H HIS A 89 -6.249 -4.271 6.050 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.108 -4.810 5.871 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -8.842 -6.119 8.096 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -8.448 -6.974 6.618 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -5.821 -7.535 6.156 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.341 -6.342 9.954 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -3.723 -7.557 7.772 1.00 0.00 H new ATOM 1359 N ARG A 90 -7.500 -2.599 7.179 1.00 0.00 N ATOM 1360 CA ARG A 90 -7.460 -1.326 7.901 1.00 0.00 C ATOM 1361 C ARG A 90 -6.685 -1.401 9.212 1.00 0.00 C ATOM 1362 O ARG A 90 -6.138 -0.387 9.638 1.00 0.00 O ATOM 1363 CB ARG A 90 -8.851 -0.740 8.178 1.00 0.00 C ATOM 1364 CG ARG A 90 -9.608 -0.454 6.885 1.00 0.00 C ATOM 1365 CD ARG A 90 -10.808 0.458 7.146 1.00 0.00 C ATOM 1366 NE ARG A 90 -11.733 -0.112 8.133 1.00 0.00 N ATOM 1367 CZ ARG A 90 -12.484 0.626 8.956 1.00 0.00 C ATOM 1368 NH1 ARG A 90 -12.443 1.956 8.921 1.00 0.00 N ATOM 1369 NH2 ARG A 90 -13.294 0.040 9.832 1.00 0.00 N ATOM 0 H ARG A 90 -6.824 -2.626 6.416 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.931 -0.659 7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.425 -1.437 8.790 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -8.751 0.181 8.753 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.939 0.016 6.164 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.947 -1.391 6.443 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.456 1.427 7.498 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.340 0.633 6.211 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.807 -1.128 8.194 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.830 2.430 8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -13.024 2.501 9.558 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.345 -0.978 9.878 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.865 0.608 10.458 1.00 0.00 H new ATOM 1383 N THR A 91 -6.622 -2.565 9.863 1.00 0.00 N ATOM 1384 CA THR A 91 -5.888 -2.674 11.120 1.00 0.00 C ATOM 1385 C THR A 91 -4.393 -2.502 10.879 1.00 0.00 C ATOM 1386 O THR A 91 -3.706 -1.855 11.666 1.00 0.00 O ATOM 1387 CB THR A 91 -6.159 -4.025 11.781 1.00 0.00 C ATOM 1388 OG1 THR A 91 -7.548 -4.220 11.912 1.00 0.00 O ATOM 1389 CG2 THR A 91 -5.509 -4.073 13.159 1.00 0.00 C ATOM 0 H THR A 91 -7.062 -3.429 9.546 1.00 0.00 H new ATOM 0 HA THR A 91 -6.230 -1.882 11.787 1.00 0.00 H new ATOM 0 HB THR A 91 -5.737 -4.813 11.158 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.718 -5.088 12.335 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.708 -5.040 13.622 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.433 -3.933 13.059 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.921 -3.280 13.783 1.00 0.00 H new ATOM 1397 N GLU A 92 -3.884 -3.081 9.787 1.00 0.00 N ATOM 1398 CA GLU A 92 -2.491 -2.906 9.406 1.00 0.00 C ATOM 1399 C GLU A 92 -2.268 -1.466 8.971 1.00 0.00 C ATOM 1400 O GLU A 92 -1.289 -0.837 9.363 1.00 0.00 O ATOM 1401 CB GLU A 92 -2.182 -3.841 8.240 1.00 0.00 C ATOM 1402 CG GLU A 92 -0.709 -3.743 7.841 1.00 0.00 C ATOM 1403 CD GLU A 92 0.209 -4.269 8.942 1.00 0.00 C ATOM 1404 OE1 GLU A 92 0.159 -5.495 9.198 1.00 0.00 O ATOM 1405 OE2 GLU A 92 0.953 -3.448 9.521 1.00 0.00 O ATOM 0 H GLU A 92 -4.422 -3.674 9.155 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.840 -3.135 10.250 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.421 -4.868 8.518 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.812 -3.587 7.388 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.541 -4.310 6.925 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.459 -2.705 7.623 1.00 0.00 H new ATOM 1412 N MET A 93 -3.188 -0.949 8.154 1.00 0.00 N ATOM 1413 CA MET A 93 -3.064 0.377 7.580 1.00 0.00 C ATOM 1414 C MET A 93 -3.038 1.430 8.683 1.00 0.00 C ATOM 1415 O MET A 93 -2.236 2.355 8.624 1.00 0.00 O ATOM 1416 CB MET A 93 -4.218 0.579 6.596 1.00 0.00 C ATOM 1417 CG MET A 93 -4.219 1.962 5.949 1.00 0.00 C ATOM 1418 SD MET A 93 -5.039 3.258 6.915 1.00 0.00 S ATOM 1419 CE MET A 93 -6.753 2.672 6.803 1.00 0.00 C ATOM 0 H MET A 93 -4.036 -1.443 7.877 1.00 0.00 H new ATOM 0 HA MET A 93 -2.125 0.482 7.037 1.00 0.00 H new ATOM 0 HB2 MET A 93 -4.160 -0.180 5.816 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.163 0.428 7.118 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.187 2.263 5.768 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.706 1.891 4.976 1.00 0.00 H new ATOM 0 HE1 MET A 93 -7.434 3.507 6.967 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.929 2.249 5.814 1.00 0.00 H new ATOM 0 HE3 MET A 93 -6.927 1.908 7.561 1.00 0.00 H new ATOM 1429 N ASP A 94 -3.907 1.297 9.686 1.00 0.00 N ATOM 1430 CA ASP A 94 -3.985 2.253 10.780 1.00 0.00 C ATOM 1431 C ASP A 94 -2.708 2.253 11.612 1.00 0.00 C ATOM 1432 O ASP A 94 -2.304 3.288 12.138 1.00 0.00 O ATOM 1433 CB ASP A 94 -5.156 1.873 11.680 1.00 0.00 C ATOM 1434 CG ASP A 94 -5.365 2.908 12.783 1.00 0.00 C ATOM 1435 OD1 ASP A 94 -5.880 4.002 12.460 1.00 0.00 O ATOM 1436 OD2 ASP A 94 -5.006 2.598 13.940 1.00 0.00 O ATOM 0 H ASP A 94 -4.571 0.526 9.759 1.00 0.00 H new ATOM 0 HA ASP A 94 -4.121 3.249 10.358 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -6.064 1.786 11.083 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -4.973 0.895 12.125 1.00 0.00 H new ATOM 1441 N TRP A 95 -2.074 1.085 11.729 1.00 0.00 N ATOM 1442 CA TRP A 95 -0.901 0.922 12.567 1.00 0.00 C ATOM 1443 C TRP A 95 0.310 1.648 11.992 1.00 0.00 C ATOM 1444 O TRP A 95 0.914 2.470 12.679 1.00 0.00 O ATOM 1445 CB TRP A 95 -0.601 -0.568 12.711 1.00 0.00 C ATOM 1446 CG TRP A 95 0.590 -0.888 13.558 1.00 0.00 C ATOM 1447 CD1 TRP A 95 0.608 -0.923 14.908 1.00 0.00 C ATOM 1448 CD2 TRP A 95 1.950 -1.216 13.138 1.00 0.00 C ATOM 1449 NE1 TRP A 95 1.873 -1.246 15.350 1.00 0.00 N ATOM 1450 CE2 TRP A 95 2.746 -1.432 14.298 1.00 0.00 C ATOM 1451 CE3 TRP A 95 2.592 -1.351 11.893 1.00 0.00 C ATOM 1452 CZ2 TRP A 95 4.104 -1.761 14.228 1.00 0.00 C ATOM 1453 CZ3 TRP A 95 3.956 -1.671 11.810 1.00 0.00 C ATOM 1454 CH2 TRP A 95 4.713 -1.878 12.973 1.00 0.00 C ATOM 0 H TRP A 95 -2.363 0.234 11.246 1.00 0.00 H new ATOM 0 HA TRP A 95 -1.108 1.361 13.543 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -1.475 -1.061 13.136 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.448 -0.991 11.718 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.241 -0.727 15.546 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.132 -1.336 16.333 1.00 0.00 H new ATOM 0 HE3 TRP A 95 2.025 -1.206 10.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.675 -1.923 15.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.427 -1.759 10.842 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.761 -2.127 12.900 1.00 0.00 H new ATOM 1465 N VAL A 96 0.676 1.359 10.741 1.00 0.00 N ATOM 1466 CA VAL A 96 1.879 1.936 10.152 1.00 0.00 C ATOM 1467 C VAL A 96 1.676 3.404 9.772 1.00 0.00 C ATOM 1468 O VAL A 96 2.646 4.158 9.735 1.00 0.00 O ATOM 1469 CB VAL A 96 2.342 1.075 8.969 1.00 0.00 C ATOM 1470 CG1 VAL A 96 1.216 0.868 7.971 1.00 0.00 C ATOM 1471 CG2 VAL A 96 3.569 1.680 8.290 1.00 0.00 C ATOM 0 H VAL A 96 0.159 0.733 10.123 1.00 0.00 H new ATOM 0 HA VAL A 96 2.674 1.933 10.898 1.00 0.00 H new ATOM 0 HB VAL A 96 2.627 0.099 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.572 0.255 7.143 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.382 0.366 8.462 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.885 1.834 7.590 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.873 1.047 7.456 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.326 2.676 7.920 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.385 1.749 9.009 1.00 0.00 H new ATOM 1481 N LEU A 97 0.440 3.832 9.489 1.00 0.00 N ATOM 1482 CA LEU A 97 0.161 5.240 9.225 1.00 0.00 C ATOM 1483 C LEU A 97 0.376 6.084 10.488 1.00 0.00 C ATOM 1484 O LEU A 97 0.346 7.312 10.410 1.00 0.00 O ATOM 1485 CB LEU A 97 -1.294 5.410 8.759 1.00 0.00 C ATOM 1486 CG LEU A 97 -1.504 5.637 7.256 1.00 0.00 C ATOM 1487 CD1 LEU A 97 -0.770 6.888 6.774 1.00 0.00 C ATOM 1488 CD2 LEU A 97 -1.064 4.440 6.419 1.00 0.00 C ATOM 0 H LEU A 97 -0.377 3.223 9.438 1.00 0.00 H new ATOM 0 HA LEU A 97 0.845 5.578 8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.853 4.522 9.052 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.729 6.253 9.296 1.00 0.00 H new ATOM 0 HG LEU A 97 -2.577 5.772 7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.939 7.020 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.145 7.759 7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.298 6.778 6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.234 4.652 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.004 4.250 6.585 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.640 3.561 6.710 1.00 0.00 H new ATOM 1500 N LYS A 98 0.592 5.444 11.646 1.00 0.00 N ATOM 1501 CA LYS A 98 0.654 6.121 12.932 1.00 0.00 C ATOM 1502 C LYS A 98 1.772 5.589 13.832 1.00 0.00 C ATOM 1503 O LYS A 98 1.828 5.953 15.006 1.00 0.00 O ATOM 1504 CB LYS A 98 -0.696 5.940 13.621 1.00 0.00 C ATOM 1505 CG LYS A 98 -1.812 6.564 12.782 1.00 0.00 C ATOM 1506 CD LYS A 98 -3.133 6.408 13.523 1.00 0.00 C ATOM 1507 CE LYS A 98 -4.269 6.990 12.683 1.00 0.00 C ATOM 1508 NZ LYS A 98 -5.584 6.671 13.265 1.00 0.00 N ATOM 0 H LYS A 98 0.728 4.435 11.708 1.00 0.00 H new ATOM 0 HA LYS A 98 0.876 7.174 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -0.895 4.879 13.771 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.673 6.402 14.608 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.603 7.619 12.602 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.867 6.079 11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.323 5.355 13.728 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.083 6.917 14.486 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.154 8.071 12.611 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -4.213 6.595 11.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.320 7.228 12.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.782 5.658 13.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.580 6.902 14.279 1.00 0.00 H new